Probing nuclear symmetry energy at high densities using pion, kaon, eta and photon productions in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Xiao, Zhi-Gang; Yong, Gao-Chan; Chen, Lie-Wen; Li, Bao-An; Zhang, Ming; Xiao, Guo-Qing; Xu, Nu

2014-02-01

The high-density behavior of nuclear symmetry energy is among the most uncertain properties of dense neutron-rich matter. Its accurate determination has significant ramifications in understanding not only the reaction dynamics of heavy-ion reactions, especially those induced by radioactive beams, but also many interesting phenomena in astrophysics, such as the explosion mechanism of supernova and the properties of neutron stars. The heavy-ion physics community has devoted much effort during the last few years to constrain the high-density symmetry using various probes. In particular, the / ratio has been most extensively studied both theoretically and experimentally. All models have consistently predicted qualitatively that the / ratio is a sensitive probe of the high-density symmetry energy especially with beam energies near the pion production threshold. However, the predicted values of the / ratio are still quite model dependent mostly because of the complexity of modeling pion production and reabsorption dynamics in heavy-ion collisions, leading to currently still controversial conclusions regarding the high-density behavior of nuclear symmetry energy from comparing various model calculations with available experimental data. As more / data become available and a deeper understanding about the pion dynamics in heavy-ion reactions is obtained, more penetrating probes, such as the K +/ K 0 ratio, meson and high-energy photons are also being investigated or planned at several facilities. Here, we review some of our recent contributions to the community effort of constraining the high-density behavior of nuclear symmetry energy in heavy-ion collisions. In addition, the status of some worldwide experiments for studying the high-density symmetry energy, including the HIRFL-CSR external target experiment (CEE) are briefly introduced.

Dynamic Structure Factor: An Introduction

NASA Astrophysics Data System (ADS)

Sturm, K.

1993-02-01

The doubly differential cross-section for weak inelastic scattering of waves or particles by manybody systems is derived in Born approximation and expressed in terms of the dynamic structure factor according to van Hove. The application of this very general scheme to scattering of neutrons, x-rays and high-energy electrons is discussed briefly. The dynamic structure factor, which is the space and time Fourier transform of the density-density correlation function, is a property of the many-body system independent of the external probe and carries information on the excitation spectrum of the system. The relation of the electronic structure factor to the density-density response function defined in linear-response theory is shown using the fluctuation-dissipation theorem. This is important for calculations, since the response function can be calculated approximately from the independent-particle response function in self-consistent field approximations, such as the random-phase approximation or the local-density approximation of the density functional theory. Since the density-density response function also determines the dielectric function, the dynamic structure can be expressed by the dielectric function.

Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes.

PubMed

Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang

2014-04-07

We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.

Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes

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

Liu, Hao; Zhu, Lili; Bai, Shuming

2014-04-07

We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly inmore » the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.« less

Extended dynamic range of Doppler OCT by application of a new method to high density B-scans using a MHz FDML swept laser source (Conference Presentation)

NASA Astrophysics Data System (ADS)

Elahi, Sahar; Thrane, Lars; Rollins, Andrew M.; Jenkins, Michael W.

2017-02-01

The limited dynamic range of optical coherence tomography (OCT) Doppler velocity measurements makes it difficult to conduct experiments on samples requiring a large dynamic range without phase wrapping at high velocities or loss of sensitivity at slow velocities. Hemodynamics and wall motion undergo significant increases in velocity as the embryonic heart develops. Experimental studies indicate that altered hemodynamics in early-stage embryonic hearts can lead to congenital heart diseases (CHDs), motivating close monitoring of blood flow over several stages of development. We have built a high-speed OCT system using an FDML laser (Optores GmbH, Germany) at a sweep rate of 1.68 MHz (axial resolution - 12 μm, sensitivity - 105 dB, phase stability - 17 mrad). The speed of this OCT system allows us to acquire high-density B-scans to obtain an extended velocity dynamic range without sacrificing the frame rate (100 Hz). The extended dynamic range within a frame is achieved by varying the A-scan interval at which the phase difference is found, enabling detection of velocities ranging from tens of microns per second to hundreds of millimeters per second. The extra lines in a frame can also be utilized to improve the structural and Doppler images via complex averaging. In structural images where the presence of blood causes additional scattering, complex averaging helps retrieve features located deeper in the tissue. Moreover, high-density frames can be registered to 4D volumes to determine the orthogonal direction of flow for calculating shear stress as well as estimating the cardiac output. In conclusion, high density B-scans acquired by our high-speed OCT system enable image enhancement and direct measurement of biological parameters in cohort studies.

High-amplitude fluctuations and alternative dynamical states of midges in Lake Myvatn.

PubMed

Ives, Anthony R; Einarsson, Arni; Jansen, Vincent A A; Gardarsson, Arnthor

2008-03-06

Complex dynamics are often shown by simple ecological models and have been clearly demonstrated in laboratory and natural systems. Yet many classes of theoretically possible dynamics are still poorly documented in nature. Here we study long-term time-series data of a midge, Tanytarsus gracilentus (Diptera: Chironomidae), in Lake Myvatn, Iceland. The midge undergoes density fluctuations of almost six orders of magnitude. Rather than regular cycles, however, these fluctuations have irregular periods of 4-7 years, indicating complex dynamics. We fit three consumer-resource models capable of qualitatively distinct dynamics to the data. Of these, the best-fitting model shows alternative dynamical states in the absence of environmental variability; depending on the initial midge densities, the model shows either fluctuations around a fixed point or high-amplitude cycles. This explains the observed complex population dynamics: high-amplitude but irregular fluctuations occur because stochastic variability causes the dynamics to switch between domains of attraction to the alternative states. In the model, the amplitude of fluctuations depends strongly on minute resource subsidies into the midge habitat. These resource subsidies may be sensitive to human-caused changes in the hydrology of the lake, with human impacts such as dredging leading to higher-amplitude fluctuations. Tanytarsus gracilentus is a key component of the Myvatn ecosystem, representing two-thirds of the secondary productivity of the lake and providing vital food resources to fish and to breeding bird populations. Therefore the high-amplitude, irregular fluctuations in midge densities generated by alternative dynamical states dominate much of the ecology of the lake.

Experimental Investigation of Ultrafast Hydration Structure and Dynamics at Sub-Angstrom Lengthscales

ERIC Educational Resources Information Center

Coridan, Robert Henry

2009-01-01

This thesis outlines how meV-resolution inelastic x-ray scattering and causality-enforcing mathematics can be used to measure the dynamical density-density linear response function for liquid water with Angstrom spatial resolution and 50fs temporal resolution. The results are compared to high-resolution spectroscopic and scattering experiments and…

Engineering science research issues in high power density transmission dynamics for aerospace applications. [rotorcraft geared rotors

NASA Technical Reports Server (NTRS)

Singh, Rajendra; Houser, Donald R.

1993-01-01

This paper discusses analytical and experimental approaches that will be needed to understand dynamic, vibro-acoustic and design characteristics of high power density rotorcraft transmissions. Complexities associated with mathematical modeling of such systems will be discussed. An overview of research work planned during the next several years will be presented, with emphasis on engineering science issues such as gear contact mechanics, multi-mesh drive dynamics, parameter uncertainties, vibration transmission through bearings, and vibro-acoustic characteristics of geared rotor systems and housing-mount structures. A few examples of work in progress are cited.

Density Dependence and Growth Rate: Evolutionary Effects on Resistance Development to Bt (Bacillus thuringiensis).

PubMed

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.

Sloan Great Wall as a complex of superclusters with collapsing cores

NASA Astrophysics Data System (ADS)

Einasto, Maret; Lietzen, Heidi; Gramann, Mirt; Tempel, Elmo; Saar, Enn; Liivamägi, Lauri Juhan; Heinämäki, Pekka; Nurmi, Pasi; Einasto, Jaan

2016-10-01

Context. The formation and evolution of the cosmic web is governed by the gravitational attraction of dark matter and antigravity of dark energy (cosmological constant). In the cosmic web, galaxy superclusters or their high-density cores are the largest objects that may collapse at present or during the future evolution. Aims: We study the dynamical state and possible future evolution of galaxy superclusters from the Sloan Great Wall (SGW), the richest galaxy system in the nearby Universe. Methods: We calculated supercluster masses using dynamical masses of galaxy groups and stellar masses of galaxies. We employed normal mixture modelling to study the structure of rich SGW superclusters and search for components (cores) in superclusters. We analysed the radial mass distribution in the high-density cores of superclusters centred approximately at rich clusters and used the spherical collapse model to study their dynamical state. Results: The lower limit of the total mass of the SGW is approximately M = 2.5 × 1016 h-1 M⊙. Different mass estimators of superclusters agree well, the main uncertainties in masses of superclusters come from missing groups and clusters. We detected three high-density cores in the richest SGW supercluster (SCl 027) and two in the second richest supercluster (SCl 019). They have masses of 1.2 - 5.9 × 1015 h-1 M⊙ and sizes of up to ≈60 h-1 Mpc. The high-density cores of superclusters are very elongated, flattened perpendicularly to the line of sight. The comparison of the radial mass distribution in the high-density cores with the predictions of spherical collapse model suggests that their central regions with radii smaller than 8 h-1 Mpc and masses of up to M = 2 × 1015 h-1 M⊙ may be collapsing. Conclusions: The rich SGW superclusters with their high-density cores represent dynamically evolving environments for studies of the properties of galaxies and galaxy systems.

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

A density functional theory study on the thermodynamic and dynamic properties of anthraquinone analogue cathode materials for rechargeable lithium ion batteries.

PubMed

Yang, Shu-Jing; Qin, Xiao-Ya; He, Rongxing; Shen, Wei; Li, Ming; Zhao, Liu-Bin

2017-05-21

Organic redox compounds have become the emerging electrode materials for rechargeable lithium ion batteries. The high electrochemical performance provides organic electrode materials with great opportunities to be applied in electric energy storage devices. Among the different types of organic materials, conjugated carbonyl compounds are the most promising type at present, because only they can simultaneously achieve, high energy density, high cycling stability, and high power density. In this research, a series of heteroatom substituted anthraquinone (AQ) derivatives were designed theoretically so that the high theoretical capacity of AQ remained. The discharge and charge mechanism as well as the thermodynamic and dynamic properties of AQ and its derivatives were investigated using first-principles density functional theory. Using heteroatom substitution, both the thermodynamic and dynamic properties of AQ as cathode materials could be largely improved. Among these conjugated carboxyl compounds, BDOZD and BDIOZD with a simultaneously high theoretical capacity and high working potential exhibit the largest energy density of about 780 W h kg -1 , which is 41% larger than that of AQ. The PQD with the smallest value of λ gives the largest charge transfer rate constant, which is about four times as large as the prototype molecule, AQ. The most interesting finding is that the lithium ion transfer plays a very important role in influencing both the discharge potential and electrochemical charge transfer rate. The present study illustrates that theoretical calculations provide a highly effective way to discover potential materials for use with rechargeable lithium ion batteries.

High accuracy satellite drag model (HASDM)

NASA Astrophysics Data System (ADS)

Storz, Mark F.; Bowman, Bruce R.; Branson, Major James I.; Casali, Stephen J.; Tobiska, W. Kent

The dominant error source in force models used to predict low-perigee satellite trajectories is atmospheric drag. Errors in operational thermospheric density models cause significant errors in predicted satellite positions, since these models do not account for dynamic changes in atmospheric drag for orbit predictions. The Air Force Space Battlelab's High Accuracy Satellite Drag Model (HASDM) estimates and predicts (out three days) a dynamically varying global density field. HASDM includes the Dynamic Calibration Atmosphere (DCA) algorithm that solves for the phases and amplitudes of the diurnal and semidiurnal variations of thermospheric density near real-time from the observed drag effects on a set of Low Earth Orbit (LEO) calibration satellites. The density correction is expressed as a function of latitude, local solar time and altitude. In HASDM, a time series prediction filter relates the extreme ultraviolet (EUV) energy index E10.7 and the geomagnetic storm index ap, to the DCA density correction parameters. The E10.7 index is generated by the SOLAR2000 model, the first full spectrum model of solar irradiance. The estimated and predicted density fields will be used operationally to significantly improve the accuracy of predicted trajectories for all low-perigee satellites.

Critical thresholds in sea lice epidemics: evidence, sensitivity and subcritical estimation

PubMed Central

Frazer, L. Neil; Morton, Alexandra; Krkošek, Martin

2012-01-01

Host density thresholds are a fundamental component of the population dynamics of pathogens, but empirical evidence and estimates are lacking. We studied host density thresholds in the dynamics of ectoparasitic sea lice (Lepeophtheirus salmonis) on salmon farms. Empirical examples include a 1994 epidemic in Atlantic Canada and a 2001 epidemic in Pacific Canada. A mathematical model suggests dynamics of lice are governed by a stable endemic equilibrium until the critical host density threshold drops owing to environmental change, or is exceeded by stocking, causing epidemics that require rapid harvest or treatment. Sensitivity analysis of the critical threshold suggests variation in dependence on biotic parameters and high sensitivity to temperature and salinity. We provide a method for estimating the critical threshold from parasite abundances at subcritical host densities and estimate the critical threshold and transmission coefficient for the two epidemics. Host density thresholds may be a fundamental component of disease dynamics in coastal seas where salmon farming occurs. PMID:22217721

Structural arrest in an ideal gas.

PubMed

van Ketel, Willem; Das, Chinmay; Frenkel, Daan

2005-04-08

We report a molecular dynamics study of a simple model system that has the static properties of an ideal gas, yet exhibits nontrivial "glassy" dynamics behavior at high densities. The constituent molecules of this system are constructs of three infinitely thin hard rods of length L, rigidly joined at their midpoints. The crosses have random but fixed orientation. The static properties of this system are those of an ideal gas, and its collision frequency can be computed analytically. For number densities NL(3)/V>1, the single-particle diffusivity goes to zero. As the system is completely structureless, standard mode-coupling theory cannot describe the observed structural arrest. Nevertheless, the system exhibits many dynamical features that appear to be mode-coupling-like. All high-density incoherent intermediate scattering functions collapse onto master curves that depend only on the wave vector.

Dynamic correlations in the highly dilute 2D electron liquid: Loss function, critical wave vector and analytic plasmon dispersion

NASA Astrophysics Data System (ADS)

Drachta, Jürgen T.; Kreil, Dominik; Hobbiger, Raphael; Böhm, Helga M.

2018-03-01

Correlations, highly important in low-dimensional systems, are known to decrease the plasmon dispersion of two-dimensional electron liquids. Here we calculate the plasmon properties, applying the 'Dynamic Many-Body Theory', accounting for correlated two-particle-two-hole fluctuations. These dynamic correlations are found to significantly lower the plasmon's energy. For the data obtained numerically, we provide an analytic expression that is valid across a wide range both of densities and of wave vectors. Finally, we demonstrate how this can be invoked in determining the actual electron densities from measurements on an AlGaAs quantum well.

Microscopic Theory for the Role of Attractive Forces in the Dynamics of Supercooled Liquids.

PubMed

Dell, Zachary E; Schweizer, Kenneth S

2015-11-13

We formulate a microscopic, no adjustable parameter, theory of activated relaxation in supercooled liquids directly in terms of the repulsive and attractive forces within the framework of pair correlations. Under isochoric conditions, attractive forces can nonperturbatively modify slow dynamics, but at high enough density their influence vanishes. Under isobaric conditions, attractive forces play a minor role. High temperature apparent Arrhenius behavior and density-temperature scaling are predicted. Our results are consistent with recent isochoric simulations and isobaric experiments on a deeply supercooled molecular liquid. The approach can be generalized to treat colloidal gelation and glass melting, and other soft matter slow dynamics problems.

Density Functional Methods for Shock Physics and High Energy Density Science

NASA Astrophysics Data System (ADS)

Desjarlais, Michael

2017-06-01

Molecular dynamics with density functional theory has emerged over the last two decades as a powerful and accurate framework for calculating thermodynamic and transport properties with broad application to dynamic compression, high energy density science, and warm dense matter. These calculations have been extensively validated against shock and ramp wave experiments, are a principal component of high-fidelity equation of state generation, and are having wide-ranging impacts on inertial confinement fusion, planetary science, and shock physics research. In addition to thermodynamic properties, phase boundaries, and the equation of state, one also has access to electrical conductivity, thermal conductivity, and lower energy optical properties. Importantly, all these properties are obtained within the same theoretical framework and are manifestly consistent. In this talk I will give a brief history and overview of molecular dynamics with density functional theory and its use in calculating a wide variety of thermodynamic and transport properties for materials ranging from ambient to extreme conditions and with comparisons to experimental data. I will also discuss some of the limitations and difficulties, as well as active research areas. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Density dependence in group dynamics of a highly social mongoose, Suricata suricatta.

PubMed

Bateman, Andrew W; Ozgul, Arpat; Coulson, Tim; Clutton-Brock, Tim H

2012-05-01

1. For social species, the link between individual behaviour and population dynamics is mediated by group-level demography. 2. Populations of obligate cooperative breeders are structured into social groups, which may be subject to inverse density dependence (Allee effects) that result from a dependence on conspecific helpers, but evidence for population-wide Allee effects is rare. 3. We use field data from a long-term study of cooperative meerkats (Suricata suricatta; Schreber, 1776) - a species for which local Allee effects are not reflected in population-level dynamics - to empirically model interannual group dynamics. 4. Using phenomenological population models, modified to incorporate environmental conditions and potential Allee effects, we first investigate overall patterns of group dynamics and find support only for conventional density dependence that increases after years of low rainfall. 5. To explain the observed patterns, we examine specific demographic rates and assess their contributions to overall group dynamics. Although per-capita meerkat mortality is subject to a component Allee effect, it contributes relatively little to observed variation in group dynamics, and other (conventionally density dependent) demographic rates - especially emigration - govern group dynamics. 6. Our findings highlight the need to consider demographic processes and density dependence in subpopulations before drawing conclusions about how behaviour affects population processes in socially complex systems. © 2011 The Authors. Journal of Animal Ecology © 2011 British Ecological Society.

High density tape/head interface study

NASA Technical Reports Server (NTRS)

Csengery, L. C.

1983-01-01

The high energy (H sub c approximately or = to 650 oersteds) tapes and high track density (84 tracks per inch) heads investigated had, as its goal, the definition of optimum combinations of head and tape, including the control required of their interfacial dynamics that would enable the manufacture of high rate (150 Mbps) digital tape recorders for unattended space flight.

Leaf dynamics in growth and reproduction of Xanthium canadense as influenced by stand density

PubMed Central

Ogawa, Takahiro; Oikawa, Shimpei; Hirose, Tadaki

2015-01-01

Background and Aims Leaf longevity is controlled by the light gradient in the canopy and also by the nitrogen (N) sink strength in the plant. Stand density may influence leaf dynamics through its effects on light gradient and on plant growth and reproduction. This study tests the hypothesis that the control by the light gradient is manifested more in the vegetative period, whereas the opposite is true when the plant becomes reproductive and develops a strong N sink. Methods Stands of Xanthium canadense were established at two densities. Emergence, growth and death of every leaf on the main stem and branches, and plant growth and N uptake were determined from germination to full senescence. Mean residence time and dry mass productivity were calculated per leaf number, leaf area, leaf mass and leaf N (collectively termed ‘leaf variables’) in order to analyse leaf dynamics and its effect on plant growth. Key Results Branching and reproductive activities were higher at low than at high density. Overall there was no significant difference in mean residence time of leaf variables between the two stands. However, early leaf cohorts on the main stem had a longer retention time at low density, whereas later cohorts had a longer retention time at high density. Branch leaves emerged earlier and tended to live longer at low than at high density. Leaf efficiencies, defined as carbon export per unit investment of leaf variables, were higher at low density in all leaf variables except for leaf number. Conclusions In the vegetative phase of plant growth, the light gradient strongly controls leaf longevity, whereas later the effects of branching and reproductive activities become stronger and over-rule the effect of light environment. As leaf N supports photosynthesis and also works as an N source for plant development, N use is pivotal in linking leaf dynamics with plant growth and reproduction. PMID:26248476

Intraspecific variation and species coexistence.

PubMed

Lichstein, Jeremy W; Dushoff, Jonathan; Levin, Simon A; Pacala, Stephen W

2007-12-01

We use a two-species model of plant competition to explore the effect of intraspecific variation on community dynamics. The competitive ability ("performance") of each individual is assigned by an independent random draw from a species-specific probability distribution. If the density of individuals competing for open space is high (e.g., because fecundity is high), species with high maximum (or large variance in) performance are favored, while if density is low, species with high typical (e.g., mean) performance are favored. If there is an interspecific mean-variance performance trade-off, stable coexistence can occur across a limited range of intermediate densities, but the stabilizing effect of this trade-off appears to be weak. In the absence of this trade-off, one species is superior. In this case, intraspecific variation can blur interspecific differences (i.e., shift the dynamics toward what would be expected in the neutral case), but the strength of this effect diminishes as competitor density increases. If density is sufficiently high, the inferior species is driven to extinction just as rapidly as in the case where there is no overlap in performance between species. Intraspecific variation can facilitate coexistence, but this may be relatively unimportant in maintaining diversity in most real communities.

Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Aji, L. B. Bayu; Shao, L.; Kucheyev, S. O.

2018-05-01

The formation of stable radiation damage in solids often proceeds via complex dynamic annealing (DA) processes, involving point defect migration and interaction. The dependence of DA on irradiation conditions remains poorly understood even for Si. Here, we use a pulsed ion beam method to study defect interaction dynamics in Si bombarded in the temperature range from ˜-30 ° C to 210 °C with ions in a wide range of masses, from Ne to Xe, creating collision cascades with different densities. We demonstrate that the complexity of the influence of irradiation conditions on defect dynamics can be reduced to a deterministic effect of a single parameter, the average cascade density, calculated by taking into account the fractal nature of collision cascades. For each ion species, the DA rate exhibits two well-defined Arrhenius regions where different DA mechanisms dominate. These two regions intersect at a critical temperature, which depends linearly on the cascade density. The low-temperature DA regime is characterized by an activation energy of ˜0.1 eV , independent of the cascade density. The high-temperature regime, however, exhibits a change in the dominant DA process for cascade densities above ˜0.04 at.%, evidenced by an increase in the activation energy. These results clearly demonstrate a crucial role of the collision cascade density and can be used to predict radiation defect dynamics in Si.

Deterministic Role of Collision Cascade Density in Radiation Defect Dynamics in Si.

PubMed

Wallace, J B; Aji, L B Bayu; Shao, L; Kucheyev, S O

2018-05-25

The formation of stable radiation damage in solids often proceeds via complex dynamic annealing (DA) processes, involving point defect migration and interaction. The dependence of DA on irradiation conditions remains poorly understood even for Si. Here, we use a pulsed ion beam method to study defect interaction dynamics in Si bombarded in the temperature range from ∼-30 °C to 210 °C with ions in a wide range of masses, from Ne to Xe, creating collision cascades with different densities. We demonstrate that the complexity of the influence of irradiation conditions on defect dynamics can be reduced to a deterministic effect of a single parameter, the average cascade density, calculated by taking into account the fractal nature of collision cascades. For each ion species, the DA rate exhibits two well-defined Arrhenius regions where different DA mechanisms dominate. These two regions intersect at a critical temperature, which depends linearly on the cascade density. The low-temperature DA regime is characterized by an activation energy of ∼0.1  eV, independent of the cascade density. The high-temperature regime, however, exhibits a change in the dominant DA process for cascade densities above ∼0.04 at.%, evidenced by an increase in the activation energy. These results clearly demonstrate a crucial role of the collision cascade density and can be used to predict radiation defect dynamics in Si.

Environmental variability and population dynamics: Do European and North American ducks play by the same rules?

USGS Publications Warehouse

Pöysä, Hannu; Rintala, Jukka; Johnson, Douglas H.; Kauppinen, Jukka; Lammi, Esa; Nudds, Thomas D.; Väänänen, Veli-Matti

2016-01-01

Density dependence, population regulation, and variability in population size are fundamental population processes, the manifestation and interrelationships of which are affected by environmental variability. However, there are surprisingly few empirical studies that distinguish the effect of environmental variability from the effects of population processes. We took advantage of a unique system, in which populations of the same duck species or close ecological counterparts live in highly variable (north American prairies) and in stable (north European lakes) environments, to distinguish the relative contributions of environmental variability (measured as between-year fluctuations in wetland numbers) and intraspecific interactions (density dependence) in driving population dynamics. We tested whether populations living in stable environments (in northern Europe) were more strongly governed by density dependence than populations living in variable environments (in North America). We also addressed whether relative population dynamical responses to environmental variability versus density corresponded to differences in life history strategies between dabbling (relatively “fast species” and governed by environmental variability) and diving (relatively “slow species” and governed by density) ducks. As expected, the variance component of population fluctuations caused by changes in breeding environments was greater in North America than in Europe. Contrary to expectations, however, populations in more stable environments were not less variable nor clearly more strongly density dependent than populations in highly variable environments. Also, contrary to expectations, populations of diving ducks were neither more stable nor stronger density dependent than populations of dabbling ducks, and the effect of environmental variability on population dynamics was greater in diving than in dabbling ducks. In general, irrespective of continent and species life history, environmental variability contributed more to variation in species abundances than did density. Our findings underscore the need for more studies on populations of the same species in different environments to verify the generality of current explanations about population dynamics and its association with species life history.

Environmental variability and population dynamics: do European and North American ducks play by the same rules?

PubMed

Pöysä, Hannu; Rintala, Jukka; Johnson, Douglas H; Kauppinen, Jukka; Lammi, Esa; Nudds, Thomas D; Väänänen, Veli-Matti

2016-10-01

Density dependence, population regulation, and variability in population size are fundamental population processes, the manifestation and interrelationships of which are affected by environmental variability. However, there are surprisingly few empirical studies that distinguish the effect of environmental variability from the effects of population processes. We took advantage of a unique system, in which populations of the same duck species or close ecological counterparts live in highly variable (north American prairies) and in stable (north European lakes) environments, to distinguish the relative contributions of environmental variability (measured as between-year fluctuations in wetland numbers) and intraspecific interactions (density dependence) in driving population dynamics. We tested whether populations living in stable environments (in northern Europe) were more strongly governed by density dependence than populations living in variable environments (in North America). We also addressed whether relative population dynamical responses to environmental variability versus density corresponded to differences in life history strategies between dabbling (relatively "fast species" and governed by environmental variability) and diving (relatively "slow species" and governed by density) ducks. As expected, the variance component of population fluctuations caused by changes in breeding environments was greater in North America than in Europe. Contrary to expectations, however, populations in more stable environments were not less variable nor clearly more strongly density dependent than populations in highly variable environments. Also, contrary to expectations, populations of diving ducks were neither more stable nor stronger density dependent than populations of dabbling ducks, and the effect of environmental variability on population dynamics was greater in diving than in dabbling ducks. In general, irrespective of continent and species life history, environmental variability contributed more to variation in species abundances than did density. Our findings underscore the need for more studies on populations of the same species in different environments to verify the generality of current explanations about population dynamics and its association with species life history.

Impact of the pedestal plasma density on dynamics of edge localized mode crashes and energy loss scaling

DOE PAGES

Xu, X. Q.; Ma, J. F.; Li, G. Q.

2014-12-29

The latest BOUT++ studies show an emerging understanding of dynamics of edge localized mode(ELM) crashes and the consistent collisionality scaling of ELMenergy losses with the world multi-tokamak database. A series of BOUT++ simulations are conducted to investigate the scaling characteristics of the ELMenergy losses vs collisionality via a density scan. Moreover, the linear results demonstrate that as the pedestal collisionality decreases, the growth rate of the peeling-ballooning modes decreases for high n but increases for low n (1 < n < 5), therefore the width of the growth rate spectrum γ(n) becomes narrower and the peak growth shifts to lowermore » n. For nonlinear BOUT++ simulations show a two-stage process of ELM crash evolution of (i) initial bursts of pressure blob and void creation and (ii) inward void propagation. The inward void propagation stirs the top of pedestal plasma and yields an increasing ELM size with decreasing collisionality after a series of micro-bursts. The pedestal plasma density plays a major role in determining the ELMenergy loss through its effect on the edge bootstrap current and ion diamagnetic stabilization. Finally, the critical trend emerges as a transition (1) linearly from ballooning-dominated states at high collisionality to peeling-dominated states at low collisionality with decreasing density and (2) nonlinearly from turbulence spreading dynamics at high collisionality into avalanche-like dynamics at low collisionality.« less

Clustering Effect on the Dynamics in a Spatial Rock-Paper-Scissors System

NASA Astrophysics Data System (ADS)

Hashimoto, Tsuyoshi; Sato, Kazunori; Ichinose, Genki; Miyazaki, Rinko; Tainaka, Kei-ichi

2018-01-01

The lattice dynamics for rock-paper-scissors games is related to population theories in ecology. In most cases, simulations are performed by local and global interactions. It is known in the former case that the dynamics is usually stable. We find two types of non-random distributions in the stationary state. One is a cluster formation of endangered species: when the density of a species approaches zero, its clumping degree diverges to infinity. The other is the strong aggregations of high-density species. Such spatial pattern formations play important roles in population dynamics.

Assessing hypotheses about nesting site occupancy dynamics

USGS Publications Warehouse

Bled, Florent; Royle, J. Andrew; Cam, Emmanuelle

2011-01-01

Hypotheses about habitat selection developed in the evolutionary ecology framework assume that individuals, under some conditions, select breeding habitat based on expected fitness in different habitat. The relationship between habitat quality and fitness may be reflected by breeding success of individuals, which may in turn be used to assess habitat quality. Habitat quality may also be assessed via local density: if high-quality sites are preferentially used, high density may reflect high-quality habitat. Here we assessed whether site occupancy dynamics vary with site surrogates for habitat quality. We modeled nest site use probability in a seabird subcolony (the Black-legged Kittiwake, Rissa tridactyla) over a 20-year period. We estimated site persistence (an occupied site remains occupied from time t to t + 1) and colonization through two subprocesses: first colonization (site creation at the timescale of the study) and recolonization (a site is colonized again after being deserted). Our model explicitly incorporated site-specific and neighboring breeding success and conspecific density in the neighborhood. Our results provided evidence that reproductively "successful'' sites have a higher persistence probability than "unsuccessful'' ones. Analyses of site fidelity in marked birds and of survival probability showed that high site persistence predominantly reflects site fidelity, not immediate colonization by new owners after emigration or death of previous owners. There is a negative quadratic relationship between local density and persistence probability. First colonization probability decreases with density, whereas recolonization probability is constant. This highlights the importance of distinguishing initial colonization and recolonization to understand site occupancy. All dynamics varied positively with neighboring breeding success. We found evidence of a positive interaction between site-specific and neighboring breeding success. We addressed local population dynamics using a site occupancy approach integrating hypotheses developed in behavioral ecology to account for individual decisions. This allows development of models of population and metapopulation dynamics that explicitly incorporate ecological and evolutionary processes.

Dispersal-mediated effect of microhabitat availability and density dependence determine population dynamics of a forest floor web spider.

PubMed

Takada, Mayura B; Miyashita, Tadashi

2014-09-01

Landscapes in nature can be viewed as a continuum of small total habitable area with high fragmentation to widely spreading habitats. The dispersal-mediated rescue effect predominates in the former landscapes, while classical density-dependent processes generally prevail in widely spread habitats. A similar principle should be applied to populations of organisms utilizing microhabitats in limited supply. To test this hypothesis, we examined the population dynamics of a web spider, Neriene brongersmai, in 16 populations with varying degrees of microhabitat availability, and we explored whether: (i) high microhabitat availability improves survival rate during density-independent movement, while the resultant high density reduces survival rate in a density-dependent manner; and (ii) temporal population stability increases with microhabitat availability at the population level. Furthermore, we conducted two types of field experiments to verify whether high microhabitat availability actually reduces mortality associated with web-site movement. Field observations revealed that demographic change in N. brongersmai populations was affected by three factors at different stages, namely the microhabitat limitation from the early to late juvenile stages, the density dependence from the late juvenile to adult stages and the food limitation from the adult to the next early juvenile stages. In addition, there was a tendency for a positive association between population stability and microhabitat availability at the population level. A small-scale experiment, where the frequency of spider web relocation was equalized artificially, revealed that high microhabitat availability elevated the survival rate during a movement event between web-sites. The larger spatiotemporal scale experiment also revealed an improved spider survival rate following treatment with high microhabitat availability, even though spider density was kept at a relatively low level. The population dynamics of N. brongersmai can be determined primarily by density-independent processes based on web-site fragmentation and density-dependent processes driven by interference competition. We conclude that depending on the amount of habitat resources, the relative importance of the two contrasting paradigms-equilibrium and non-equilibrium-appears to vary, even within a particular system. © 2014 The Authors. Journal of Animal Ecology © 2014 British Ecological Society.

Simulation of Space Charge Dynamic in Polyethylene Under DC Continuous Electrical Stress

NASA Astrophysics Data System (ADS)

Boukhari, Hamed; Rogti, Fatiha

2016-10-01

The space charge dynamic plays a very important role in the aging and breakdown of polymeric insulation materials under high voltage. This is due to the intensification of the local electric field and the attendant chemical-mechanical effects in the vicinity around the trapped charge. In this paper, we have investigated the space charge dynamic in low-density polyethylene under high direct-current voltage, which is evaluated by experimental conditions. The evaluation is on the basis of simulation using a bipolar charge transport model consisting of charge injection, transports, trapping, detrapping, and recombination phenomena. The theoretical formulation of the physical problem is based on the Poisson, the continuity, and the transport equations. Numerical results provide temporal and local distributions of the electric field, the space charge density for the different kinds of charges (net charge density, mobile and trapped of electron density, mobile hole density), conduction and displacement current densities, and the external current. The result shows the appearance of the negative packet-like space charge with a large amount of the bulk under the dc electric field of 100 kV/mm, and the induced distortion of the electric field is largely near to the anode, about 39% higher than the initial electric field applied.

Screw withdrawal : a means to evaluate densities of in-situ wood members

Treesearch

Zhiyong Cai; Michael O. Hunt; Robert J. Ross; Lawrence A. Soltis

2003-01-01

Dynamic modulus of elasticity (MOE) of a wood member is defined as the product of its density and square of stress wave speed. The dynamic MOE, which is highly correlated to the static MOE, is commonly used to estimate the load carrying capacity and serviceability of in-situ wood members. The stress wave speed can be estimated using ultrasonic, impact, or vibration...

Proprioceptive Actuation Design for Dynamic Legged locomotion

NASA Astrophysics Data System (ADS)

Kim, Sangbae; Wensing, Patrick; Biomimetic Robotics Lab Team

Designing an actuator system for highly-dynamic legged locomotion exhibited by animals has been one of the grand challenges in robotics research. Conventional actuators designed for manufacturing applications have difficulty satisfying challenging requirements for high-speed locomotion, such as the need for high torque density and the ability to manage dynamic physical interactions. It is critical to introduce a new actuator design paradigm and provide guidelines for its incorporation in future mobile robots for research and industry. To this end, we suggest a paradigm called proprioceptive actuation, which enables highly- dynamic operation in legged machines. Proprioceptive actuation uses collocated force control at the joints to effectively control contact interactions at the feet under dynamic conditions. In the realm of legged machines, this paradigm provides a unique combination of high torque density, high-bandwidth force control, and the ability to mitigate impacts through backdrivability. Results show that the proposed design provides an impact mitigation factor that is comparable to other quadruped designs with series springs to handle impact. The paradigm is shown to enable the MIT Cheetah to manage the application of contact forces during dynamic bounding, with results given down to contact times of 85ms and peak forces over 450N. As a result, the MIT Cheetah achieves high-speed 3D running up to 13mph and jumping over an 18-inch high obstacle. The project is sponsored by DARPA M3 program.

Investigation of vapor-deposited amorphous ice and irradiated ice by molecular dynamics simulation.

PubMed

Guillot, Bertrand; Guissani, Yves

2004-03-01

With the purpose of clarifying a number of points raised in the experimental literature, we investigate by molecular dynamics simulation the thermodynamics, the structure and the vibrational properties of vapor-deposited amorphous ice (ASW) as well as the phase transformations experienced by crystalline and vitreous ice under ion bombardment. Concerning ASW, we have shown that by changing the conditions of the deposition process, it is possible to form either a nonmicroporous amorphous deposit whose density (approximately 1.0 g/cm3) is essentially invariant with the temperature of deposition, or a microporous sample whose density varies drastically upon temperature annealing. We find that ASW is energetically different from glassy water except at the glass transition temperature and above. Moreover, the molecular dynamics simulation shows no evidence for the formation of a high-density phase when depositing water molecules at very low temperature. In order to model the processing of interstellar ices by cosmic ray protons and heavy ions coming from the magnetospheric radiation environment around the giant planets, we bombarded samples of vitreous ice and cubic ice with 35 eV water molecules. After irradiation the recovered samples were found to be densified, the lower the temperature, the higher the density of the recovered sample. The analysis of the structure and vibrational properties of this new high-density phase of amorphous ice shows a close relationship with those of high-density amorphous ice obtained by pressure-induced amorphization. Copyright 2004 American Institute of Physics

Ultra-stiff metallic glasses through bond energy density design.

PubMed

Schnabel, Volker; Köhler, Mathias; Music, Denis; Bednarcik, Jozef; Clegg, William J; Raabe, Dierk; Schneider, Jochen M

2017-07-05

The elastic properties of crystalline metals scale with their valence electron density. Similar observations have been made for metallic glasses. However, for metallic glasses where covalent bonding predominates, such as metalloid metallic glasses, this relationship appears to break down. At present, the reasons for this are not understood. Using high energy x-ray diffraction analysis of melt spun and thin film metallic glasses combined with density functional theory based molecular dynamics simulations, we show that the physical origin of the ultrahigh stiffness in both metalloid and non-metalloid metallic glasses is best understood in terms of the bond energy density. Using the bond energy density as novel materials design criterion for ultra-stiff metallic glasses, we are able to predict a Co 33.0 Ta 3.5 B 63.5 short range ordered material by density functional theory based molecular dynamics simulations with a high bond energy density of 0.94 eV Å -3 and a bulk modulus of 263 GPa, which is 17% greater than the stiffest Co-B based metallic glasses reported in literature.

Dispersal, density dependence, and population dynamics of a fungal microbe on leaf surfaces.

PubMed

Woody, Scott T; Ives, Anthony R; Nordheim, Erik V; Andrews, John H

2007-06-01

Despite the ubiquity and importance of microbes in nature, little is known about their natural population dynamics, especially for those that occupy terrestrial habitats. Here we investigate the dynamics of the yeast-like fungus Aureobasidium pullulans (Ap) on apple leaves in an orchard. We asked three questions. (1) Is variation in fungal population density among leaves caused by variation in leaf carrying capacities and strong density-dependent population growth that maintains densities near carrying capacity? (2) Do resident populations have competitive advantages over immigrant cells? (3) Do Ap dynamics differ at different times during the growing season? To address these questions, we performed two experiments at different times in the growing season. Both experiments used a 2 x 2 factorial design: treatment 1 removed fungal cells from leaves to reveal density-dependent population growth, and treatment 2 inoculated leaves with an Ap strain engineered to express green fluorescent protein (GFP), which made it possible to track the fate of immigrant cells. The experiments showed that natural populations of Ap vary greatly in density due to sustained differences in carrying capacities among leaves. The maintenance of populations close to carrying capacities indicates strong density-dependent processes. Furthermore, resident populations are strongly competitive against immigrants, while immigrants have little impact on residents. Finally, statistical models showed high population growth rates of resident cells in one experiment but not in the other, suggesting that Ap experiences relatively "good" and "bad" periods for population growth. This picture of Ap dynamics conforms to commonly held, but rarely demonstrated, expectations of microbe dynamics in nature. It also highlights the importance of local processes, as opposed to immigration, in determining the abundance and dynamics of microbes on surfaces in terrestrial systems.

Experimental evidence of a liquid-liquid transition in interfacial water

NASA Astrophysics Data System (ADS)

Zanotti, J.-M.; Bellissent-Funel, M.-C.; Chen, S.-H.

2005-07-01

At ambient pressure, bulk liquid water shows an anomalous increase of thermodynamic quantities and apparent divergences of dynamic properties on approaching a temperature Ts of 228 K. At normal pressure, supercooled water spontaneously freezes below the homogeneous nucleation temperature, TH = 235 K. Upon heating, the two forms of Amorphous Solid Water (ASW), LDA (Low Density Amorphous Ice) and HDA (High Density Amorphous Ice), crystallise above TX = 150 K. As a consequence, up to now no experiment has been able to explore the properties of liquid water in this very interesting temperature range between 150 and 235 K. We present nanosecond-time-scale measurements of local rotational and translational dynamics of interfacial, non-crystalline, water from 77 to 280 K. These experimental dynamic results are combined with calorimetric and diffraction data to show that after exhibiting a glass transition at 165 K, interfacial water experiences a first-order liquid-liquid transition at 240 K from a low-density to a high-density liquid. This is the first direct evidence of the existence of a liquid-liquid transition involving water.

Light-front representation of chiral dynamics in peripheral transverse densities

DOE PAGES

Granados, Carlos G.; Weiss, Christian

2015-07-31

The nucleon's electromagnetic form factors are expressed in terms of the transverse densities of charge and magnetization at fixed light-front time. At peripheral transverse distances b = O(M_pi^{-1}) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). We represent the leading-order chiral EFT results for the peripheral transverse densities as overlap integrals of chiral light-front wave functions, describing the transition of the initial nucleon to soft pion-nucleon intermediate states and back. The new representation (a) explains the parametric order of the peripheral transverse densities; (b) establishes an inequality between the spin-independentmore » and -dependent densities; (c) exposes the role of pion orbital angular momentum in chiral dynamics; (d) reveals a large left-right asymmetry of the current in a transversely polarized nucleon and suggests a simple interpretation. The light-front representation enables a first-quantized, quantum-mechanical view of chiral dynamics that is fully relativistic and exactly equivalent to the second-quantized, field-theoretical formulation. It relates the charge and magnetization densities measured in low-energy elastic scattering to the generalized parton distributions probed in peripheral high-energy scattering processes. The method can be applied to nucleon form factors of other operators, e.g. the energy-momentum tensor.« less

Study of factors influencing the mechanical properties of polyurethane foams under dynamic compression

NASA Astrophysics Data System (ADS)

Linul, E.; Marsavina, L.; Voiconi, T.; Sadowski, T.

2013-07-01

Effect of density, loading rate, material orientation and temperature on dynamic compression behavior of rigid polyurethane foams are investigated in this paper. These parameters have a very important role, taking into account that foams are used as packing materials or dampers which require high energy impact absorption. The experimental study was carried out on closed-cell rigid polyurethane (PUR) foam specimens of different densities (100, 160 respectively 300 kg/m3), having a cubic shape. The specimens were subjected to uniaxial dynamic compression with loading rate in range of 1.37-3.25 m/s, using four different temperatures (20, 60, 90, 110°C) and two loading planes (direction (3) - rise direction and direction (2) - in plane). Experimental results show that Young's modulus, yield stress and plateau stress values increases with increasing density. One of the most significant effects of mechanical properties in dynamic compression of rigid PUR foams is the density, but also the loading speed, material orientation and temperature influences the behavior in compression

Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model

NASA Astrophysics Data System (ADS)

Higuchi, Saki; Kato, Daiki; Awaji, Daisuke; Kim, Kang

2018-03-01

We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys. Chem. B 115, 14229 (2011)]. This model shows the water-like liquid-liquid phase transition between high-density and low-density liquids at the liquid-liquid critical point. In particular, the slope of the coexistence line becomes weakly negative, which is expected to represent one of the anomalies of liquid polyamorphism. In this study, we examined the density, dynamic, and thermodynamic anomalies in the vicinity of the liquid-liquid critical point. The boundaries of density, self-diffusion, shear viscosity, and excess entropy anomalies were characterized. Furthermore, these anomalies are connected according to Rosenfeld's scaling relationship between the excess entropy and the transport coefficients such as diffusion and viscosity. The results demonstrate the hierarchical and nested structures regarding the thermodynamic and dynamic anomalies of the Fermi-Jagla model.

Low-mode internal tides and balanced dynamics disentanglement in altimetric observations: Synergy with surface density observations

NASA Astrophysics Data System (ADS)

Ponte, Aurélien L.; Klein, Patrice; Dunphy, Michael; Le Gentil, Sylvie

2017-03-01

The performance of a tentative method that disentangles the contributions of a low-mode internal tide on sea level from that of the balanced mesoscale eddies is examined using an idealized high resolution numerical simulation. This disentanglement is essential for proper estimation from sea level of the ocean circulation related to balanced motions. The method relies on an independent observation of the sea surface water density whose variations are 1/dominated by the balanced dynamics and 2/correlate with variations of potential vorticity at depth for the chosen regime of surface-intensified turbulence. The surface density therefore leads via potential vorticity inversion to an estimate of the balanced contribution to sea level fluctuations. The difference between instantaneous sea level (presumably observed with altimetry) and the balanced estimate compares moderately well with the contribution from the low-mode tide. Application to realistic configurations remains to be tested. These results aim at motivating further developments of reconstruction methods of the ocean dynamics based on potential vorticity dynamics arguments. In that context, they are particularly relevant for the upcoming wide-swath high resolution altimetric missions (SWOT).

Recombination dynamics in In{sub x}Ga{sub 1−x}N quantum wells—Contribution of excited subband recombination to carrier leakage

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

Schulz, T.; Markurt, T.; Albrecht, M.

2014-11-03

The recombination dynamics of In{sub x}Ga{sub 1−x}N single quantum wells are investigated. By comparing the photoluminescence (PL) decay spectra with simulated emission spectra obtained by a Schrödinger-Poisson approach, we give evidence that recombination from higher subbands contributes the emission of the quantum well at high excitation densities. This recombination path appears as a shoulder on the high energy side of the spectrum at high charge carrier densities and exhibits decay in the range of ps. Due to the lower confinement of the excited subband states, a distinct proportion of the probability density function lies outside the quantum well, thus contributingmore » to charge carrier loss. By estimating the current density in our time resolved PL experiments, we show that the onset of this loss mechanism occurs in the droop relevant regime above 20 A/cm{sup 2}.« less

Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

PubMed

Morishita, Tetsuya

2009-05-21

We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

StreamMap: Smooth Dynamic Visualization of High-Density Streaming Points.

PubMed

Li, Chenhui; Baciu, George; Han, Yu

2018-03-01

Interactive visualization of streaming points for real-time scatterplots and linear blending of correlation patterns is increasingly becoming the dominant mode of visual analytics for both big data and streaming data from active sensors and broadcasting media. To better visualize and interact with inter-stream patterns, it is generally necessary to smooth out gaps or distortions in the streaming data. Previous approaches either animate the points directly or present a sampled static heat-map. We propose a new approach, called StreamMap, to smoothly blend high-density streaming points and create a visual flow that emphasizes the density pattern distributions. In essence, we present three new contributions for the visualization of high-density streaming points. The first contribution is a density-based method called super kernel density estimation that aggregates streaming points using an adaptive kernel to solve the overlapping problem. The second contribution is a robust density morphing algorithm that generates several smooth intermediate frames for a given pair of frames. The third contribution is a trend representation design that can help convey the flow directions of the streaming points. The experimental results on three datasets demonstrate the effectiveness of StreamMap when dynamic visualization and visual analysis of trend patterns on streaming points are required.

Population density and seasonality effects on Sin Nombre virus transmission in North American deermice (Peromyscus maniculatus) in outdoor enclosures.

PubMed

Bagamian, Karoun H; Douglass, Richard J; Alvarado, Arlene; Kuenzi, Amy J; Amman, Brian R; Waller, Lance A; Mills, James N

2012-01-01

Surveys of wildlife host-pathogen systems often document clear seasonal variation in transmission; conclusions concerning the relationship between host population density and transmission vary. In the field, effects of seasonality and population density on natural disease cycles are challenging to measure independently, but laboratory experiments may poorly reflect what happens in nature. Outdoor manipulative experiments are an alternative that controls for some variables in a relatively natural environment. Using outdoor enclosures, we tested effects of North American deermouse (Peromyscus maniculatus) population density and season on transmission dynamics of Sin Nombre hantavirus. In early summer, mid-summer, late summer, and fall 2007-2008, predetermined numbers of infected and uninfected adult wild deermice were released into enclosures and trapped weekly or bi-weekly. We documented 18 transmission events and observed significant seasonal effects on transmission, wounding frequency, and host breeding condition. Apparent differences in transmission incidence or wounding frequency between high- and low-density treatments were not statistically significant. However, high host density was associated with a lower proportion of males with scrotal testes. Seasonality may have a stronger influence on disease transmission dynamics than host population density, and density effects cannot be considered independent of seasonality.

Assembly-history dynamics of a pitcher-plant protozoan community in experimental microcosms.

PubMed

Kadowaki, Kohmei; Inouye, Brian D; Miller, Thomas E

2012-01-01

History drives community assembly through differences both in density (density effects) and in the sequence in which species arrive (sequence effects). Density effects arise from predictable population dynamics, which are free of history, but sequence effects are due to a density-free mechanism, arising solely from the order and timing of immigration events. Few studies have determined how components of immigration history (timing, number of individuals, frequency) alter local dynamics to determine community assembly, beyond addressing when immigration history produces historically contingent assembly. We varied density and sequence effects independently in a two-way factorial design to follow community assembly in a three-species aquatic protozoan community. A superior competitor, Colpoda steinii, mediated alternative community states; early arrival or high introduction density allowed this species to outcompete or suppress the other competitors (Poterioochromonas malhamensis and Eimeriidae gen. sp.). Multivariate analysis showed that density effects caused greater variation in community states, whereas sequence effects altered the mean community composition. A significant interaction between density and sequence effects suggests that we should refine our understanding of priority effects. These results highlight a practical need to understand not only the "ingredients" (species) in ecological communities but their "recipes" as well.

Super Nonlinear Electrodeposition-Diffusion-Controlled Thin-Film Selector.

PubMed

Ji, Xinglong; Song, Li; He, Wei; Huang, Kejie; Yan, Zhiyuan; Zhong, Shuai; Zhang, Yishu; Zhao, Rong

2018-03-28

Selector elements with high nonlinearity are an indispensable part in constructing high density, large-scale, 3D stackable emerging nonvolatile memory and neuromorphic network. Although significant efforts have been devoted to developing novel thin-film selectors, it remains a great challenge in achieving good switching performance in the selectors to satisfy the stringent electrical criteria of diverse memory elements. In this work, we utilized high-defect-density chalcogenide glass (Ge 2 Sb 2 Te 5 ) in conjunction with high mobility Ag element (Ag-GST) to achieve a super nonlinear selective switching. A novel electrodeposition-diffusion dynamic selector based on Ag-GST exhibits superior selecting performance including excellent nonlinearity (<5 mV/dev), ultra-low leakage (<10 fA), and bidirectional operation. With the solid microstructure evidence and dynamic analyses, we attributed the selective switching to the competition between the electrodeposition and diffusion of Ag atoms in the glassy GST matrix under electric field. A switching model is proposed, and the in-depth understanding of the selective switching mechanism offers an insight of switching dynamics for the electrodeposition-diffusion-controlled thin-film selector. This work opens a new direction of selector designs by combining high mobility elements and high-defect-density chalcogenide glasses, which can be extended to other materials with similar properties.

The van Hove distribution function for Brownian hard spheres: Dynamical test particle theory and computer simulations for bulk dynamics

NASA Astrophysics Data System (ADS)

Hopkins, Paul; Fortini, Andrea; Archer, Andrew J.; Schmidt, Matthias

2010-12-01

We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of the particles that constitute a fluid. Our theory provides a means of calculating the van Hove distribution function by treating its self and distinct parts as the two components of a binary fluid mixture, with the "self " component having only one particle, the "distinct" component consisting of all the other particles, and using DDFT to calculate the time evolution of the density profiles for the two components. We apply this approach to a bulk fluid of Brownian hard spheres and compare to results for the van Hove function and the intermediate scattering function from Brownian dynamics computer simulations. We find good agreement at low and intermediate densities using the very simple Ramakrishnan-Yussouff [Phys. Rev. B 19, 2775 (1979)] approximation for the excess free energy functional. Since the DDFT is based on the equilibrium Helmholtz free energy functional, we can probe a free energy landscape that underlies the dynamics. Within the mean-field approximation we find that as the particle density increases, this landscape develops a minimum, while an exact treatment of a model confined situation shows that for an ergodic fluid this landscape should be monotonic. We discuss possible implications for slow, glassy, and arrested dynamics at high densities.

The growth and breakdown of a vortex-pair in a stably stratified fluid

NASA Astrophysics Data System (ADS)

Advaith, S.; Tinaikar, Aashay; Manu, K. V.; Basu, Saptarshi

2017-11-01

Vortex interaction with density stratification is ubiquitous in nature and applied to various engineering applications. Present study have characterized the spatial and temporal dynamics of the interaction between a vortex and a density stratified interface. The present work is prompted by our research on single tank Thermal Energy Storage (TES) system used in concentrated solar power (CSP) plants where hot and cold fluids are separated by means of density stratification. Rigorous qualitative (High speed Shadowgraph) and quantitative (high speed PIV) studies enable us to have great understanding about vortex formation, propagation, interaction dynamics with density stratified interface, resulted plume characteristics and so on. We have categorized this interaction phenomena in to three different cases based on its nature as non-penetrative, partial penetrative and extensively penetrative. Along with that we have proposed a regime map consisting non-dimensional parameters like Reynolds, Richardson and Atwood numbers which predicts the occurrence above mentioned cases.

ON THE STAR FORMATION LAW FOR SPIRAL AND IRREGULAR GALAXIES

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

Elmegreen, Bruce G., E-mail: bge@us.ibm.com

2015-12-01

A dynamical model for star formation on a galactic scale is proposed in which the interstellar medium is constantly condensing to star-forming clouds on the dynamical time of the average midplane density, and the clouds are constantly being disrupted on the dynamical timescale appropriate for their higher density. In this model, the areal star formation rate scales with the 1.5 power of the total gas column density throughout the main regions of spiral galaxies, and with a steeper power, 2, in the far outer regions and in dwarf irregular galaxies because of the flaring disks. At the same time, theremore » is a molecular star formation law that is linear in the main and outer parts of disks and in dIrrs because the duration of individual structures in the molecular phase is also the dynamical timescale, canceling the additional 0.5 power of surface density. The total gas consumption time scales directly with the midplane dynamical time, quenching star formation in the inner regions if there is no accretion, and sustaining star formation for ∼100 Gyr or more in the outer regions with no qualitative change in gas stability or molecular cloud properties. The ULIRG track follows from high densities in galaxy collisions.« less

Coupled Leidenfrost states as a monodisperse granular clock

NASA Astrophysics Data System (ADS)

Liu, Rui; Yang, Mingcheng; Chen, Ke; Hou, Meiying; To, Kiwing

2016-08-01

Using an event-driven molecular dynamics simulation, we show that simple monodisperse granular beads confined in coupled columns may oscillate as a different type of granular clock. To trigger this oscillation, the system needs to be driven against gravity into a density-inverted state, with a high-density clustering phase supported from below by a gaslike low-density phase (Leidenfrost effect) in each column. Our analysis reveals that the density-inverted structure and the relaxation dynamics between the phases can amplify any small asymmetry between the columns, and lead to a giant oscillation. The oscillation occurs only for an intermediate range of the coupling strength, and the corresponding phase diagram can be universally described with a characteristic height of the density-inverted structure. A minimal two-phase model is proposed and a linear stability analysis shows that the triggering mechanism of the oscillation can be explained as a switchable two-parameter Andronov-Hopf bifurcation. Numerical solutions of the model also reproduce similar oscillatory dynamics to the simulation results.

Generation and decay dynamics of triplet excitons in Alq3 thin films under high-density excitation conditions.

PubMed

Watanabe, Sadayuki; Furube, Akihiro; Katoh, Ryuzi

2006-08-31

We studied the generation and decay dynamics of triplet excitons in tris-(8-hydroxyquinoline) aluminum (Alq3) thin films by using transient absorption spectroscopy. Absorption spectra of both singlet and triplet excitons in the film were identified by comparison with transient absorption spectra of the ligand molecule (8-hydroxyquinoline) itself and the excited triplet state in solution previously reported. By measuring the excitation light intensity dependence of the absorption, we found that exciton annihilation dominated under high-density excitation conditions. Annihilation rate constants were estimated to be gammaSS = (6 +/- 3) x 10(-11) cm3 s(-1) for single excitons and gammaTT = (4 +/- 2) x 10(-13) cm3 s(-1) for triplet excitons. From detailed analysis of the light intensity dependence of the quantum yield of triplet excitons under high-density conditions, triplet excitons were mainly generated through fission from highly excited singlet states populated by singlet-singlet exciton annihilation. We estimated that 30% of the highly excited states underwent fission.

Density-Dependent Regulation of Brook Trout Population Dynamics along a Core-Periphery Distribution Gradient in a Central Appalachian Watershed

PubMed Central

Huntsman, Brock M.; Petty, J. Todd

2014-01-01

Spatial population models predict strong density-dependence and relatively stable population dynamics near the core of a species' distribution with increasing variance and importance of density-independent processes operating towards the population periphery. Using a 10-year data set and an information-theoretic approach, we tested a series of candidate models considering density-dependent and density-independent controls on brook trout population dynamics across a core-periphery distribution gradient within a central Appalachian watershed. We sampled seven sub-populations with study sites ranging in drainage area from 1.3–60 km2 and long-term average densities ranging from 0.335–0.006 trout/m. Modeled response variables included per capita population growth rate of young-of-the-year, adult, and total brook trout. We also quantified a stock-recruitment relationship for the headwater population and coefficients of variability in mean trout density for all sub-populations over time. Density-dependent regulation was prevalent throughout the study area regardless of stream size. However, density-independent temperature models carried substantial weight and likely reflect the effect of year-to-year variability in water temperature on trout dispersal between cold tributaries and warm main stems. Estimated adult carrying capacities decreased exponentially with increasing stream size from 0.24 trout/m in headwaters to 0.005 trout/m in the main stem. Finally, temporal variance in brook trout population size was lowest in the high-density headwater population, tended to peak in mid-sized streams and declined slightly in the largest streams with the lowest densities. Our results provide support for the hypothesis that local density-dependent processes have a strong control on brook trout dynamics across the entire distribution gradient. However, the mechanisms of regulation likely shift from competition for limited food and space in headwater streams to competition for thermal refugia in larger main stems. It also is likely that source-sink dynamics and dispersal from small headwater habitats may partially influence brook trout population dynamics in the main stem. PMID:24618602

Dynamic measurement of temperature, velocity, and density in hot jets using Rayleigh scattering

NASA Astrophysics Data System (ADS)

Mielke, Amy F.; Elam, Kristie A.

2009-10-01

A molecular Rayleigh scattering technique is utilized to measure gas temperature, velocity, and density in unseeded gas flows at sampling rates up to 10 kHz, providing fluctuation information up to 5 kHz based on the Nyquist theorem. A high-power continuous-wave laser beam is focused at a point in an air flow field and Rayleigh scattered light is collected and fiber-optically transmitted to a Fabry-Perot interferometer for spectral analysis. Photomultiplier tubes operated in the photon counting mode allow high-frequency sampling of the total signal level and the circular interference pattern to provide dynamic density, temperature, and velocity measurements. Mean and root mean square velocity, temperature, and density, as well as power spectral density calculations, are presented for measurements in a hydrogen-combustor heated jet facility with a 50.8-mm diameter nozzle at NASA John H. Glenn Research Center at Lewis Field. The Rayleigh measurements are compared with particle image velocimetry data and computational fluid dynamics predictions. This technique is aimed at aeronautics research related to identifying noise sources in free jets, as well as applications in supersonic and hypersonic flows where measurement of flow properties, including mass flux, is required in the presence of shocks and ionization occurrence.

Spatial variation in carrier dynamics along a single CdSSe nanowire

NASA Astrophysics Data System (ADS)

Blake, Jolie C.; Eldridge, Peter S.; Gundlach, Lars

2014-10-01

Ultrafast charge carrier dynamics along individual CdSxSe1-x nanowires has been measured. The use of an improved ultrafast Kerr-gated microscope allows for spatially resolved luminescence measurements along a single nanowire. Amplified spontaneous emission (ASE) was observed at high excitation fluences. Position dependent variations of ultrafast ASE dynamics were observed. SEM and colorimetric measurements showed that the difference in dynamics can be attributed to variations in non-radiative recombination rates along the wire. The dominant Shockley-Read recombination rate can be extracted from ASE dynamics and can be directly related to charge carrier mobility and defect density. Employing ASE as a probe for defect densities provides a new sub-micron spatially resolved, contactless method for measurements of charge carrier mobility.

Pressure effects on collective density fluctuations in water and protein solutions

PubMed Central

Russo, Daniela; Laloni, Alessio; Filabozzi, Alessandra; Heyden, Matthias

2017-01-01

Neutron Brillouin scattering and molecular dynamics simulations have been used to investigate protein hydration water density fluctuations as a function of pressure. Our results show significant differences between the pressure and density dependence of collective dynamics in bulk water and in concentrated protein solutions. Pressure-induced changes in the tetrahedral order of the water HB network have direct consequences for the high-frequency sound velocity and damping coefficients, which we find to be a sensitive probe for changes in the HB network structure as well as the wetting of biomolecular surfaces. PMID:29073065

Characterization of dynamics in complex lyophilized formulations: II. Analysis of density variations in terms of glass dynamics and comparisons with global mobility, fast dynamics, and Positron Annihilation Lifetime Spectroscopy (PALS)

PubMed Central

Chieng, Norman; Cicerone, Marcus T.; Zhong, Qin; Liu, Ming; Pikal, Michael J.

2013-01-01

Amorphous HES/disaccharide (trehalose or sucrose) formulations, with and without added polyols (glycerol and sorbitol) and disaccharide formulations of human growth hormone (hGH), were prepared by freeze drying and characterized with particular interest in methodology for using high precision density measurements to evaluate free volume changes and a focus on comparisons between “free volume” changes obtained from analysis of density data, fast dynamics (local mobility), and PALS characterization of “free volume” hole size. Density measurements were performed using a helium gas pycnometer, and fast dynamics was characterized using incoherent neutron scattering spectrometer. Addition of sucrose and trehalose to hGH decreases free volume in the system with sucrose marginally more effective than trehalose, consistent with superior pharmaceutical stability of sucrose hGH formulations well below Tg relative to trehalose. We find that density data may be analyzed in terms of free volume changes by evaluation of volume changes on mixing and calculation of apparent specific volumes from the densities. Addition of sucrose to HES decreases free volume, but the effect of trehalose is not detectable above experimental error. Addition of sorbitol or glycerol to HES/trehalose base formulations appears to significantly decrease free volume, consistent with the positive impact of such additions on pharmaceutical stability (i.e., degradation) in the glassy state. Free volume changes, evaluated from density data, fast dynamics amplitude of local motion, and PALS hole size data generally are in qualitative agreement for the HES/disaccharide systems studied. All predict decreasing molecular mobility as disaccharides are added to HES. Global mobility as measured by enthalpy relaxation times, increases as disaccharides, particularly sucrose, are added to HES. PMID:23623797

How Actuated Particles Effectively Capture Biomolecular Targets

PubMed Central

2017-01-01

Because of their high surface-to-volume ratio and adaptable surface functionalization, particles are widely used in bioanalytical methods to capture molecular targets. In this article, a comprehensive study is reported of the effectiveness of protein capture by actuated magnetic particles. Association rate constants are quantified in experiments as well as in Brownian dynamics simulations for different particle actuation configurations. The data reveal how the association rate depends on the particle velocity, particle density, and particle assembly characteristics. Interestingly, single particles appear to exhibit target depletion zones near their surface, caused by the high density of capture molecules. The depletion effects are even more limiting in cases with high particle densities. The depletion effects are overcome and protein capture rates are enhanced by applying dynamic particle actuation, resulting in an increase in the association rate constants by up to 2 orders of magnitude. PMID:28192952

The effect of the size of the system, aspect ratio and impurities concentration on the dynamic of emergent magnetic monopoles in artificial spin ice systems

NASA Astrophysics Data System (ADS)

León, Alejandro

2013-08-01

In this work we study the dynamical properties of a finite array of nanomagnets in artificial kagome spin ice at room temperature. The dynamic response of the array of nanomagnets is studied by implementing a "frustrated celular autómata" (FCA), based in the charge model and dipolar model. The FCA simulations allow us to study in real-time and deterministic way, the dynamic of the system, with minimal computational resource. The update function is defined according to the coordination number of vertices in the system. Our results show that for a set geometric parameters of the array of nanomagnets, the system exhibits high density of Dirac strings and high density emergent magnetic monopoles. A study of the effect of disorder in the arrangement of nanomagnets is incorporated in this work.

Design of Ultra-High-Power-Density Machine Optimized for Future Aircraft

NASA Technical Reports Server (NTRS)

Choi, Benjamin B.

2004-01-01

The NASA Glenn Research Center's Structural Mechanics and Dynamics Branch is developing a compact, nonpolluting, bearingless electric machine with electric power supplied by fuel cells for future "more-electric" aircraft with specific power in the projected range of 50 hp/lb, whereas conventional electric machines generate usually 0.2 hp/lb. The use of such electric drives for propulsive fans or propellers depends on the successful development of ultra-high-power-density machines. One possible candidate for such ultra-high-power-density machines, a round-rotor synchronous machine with an engineering current density as high as 20,000 A/sq cm, was selected to investigate how much torque and power can be produced.

Ultrafast electronic dynamics in unipolar n-doped indium gallium arsenide/gallium arsenide self-assembled quantum dots

NASA Astrophysics Data System (ADS)

Wu, Zong-Kwei J.

2006-12-01

Photodetectors based on intraband infrared absorption in the quantum dots have demonstrated improved performance over its quantum well counterpart by lower dark current, relative temperature insensitivity, and its ability for normal incidence operation. Various scattering processes, including phonon emission/absorption and carrier-carrier scattering, are critical in understanding device operation on the fundamental level. In previous studies, our group has investigated carrier dynamics in both low- and high-density regime. Ultrafast electron-hole scattering and the predicted phonon bottleneck effect in intrinsic quantum dots have been observed. Further examination on electron dynamics in unipolar structures is presented in this thesis. We used n-doped quantum dot in mid-infrared photodetector device structure to study the electron dynamics in unipolar structure. Differential transmission spectroscopy with mid-infrared intraband pump and optical interband probe was implemented to measure the electron dynamics directly without creating extra electron-hole pair, Electron relaxation after excitation was measured under various density and temperature conditions. Rapid capture into quantum dot within ˜ 10 ps was observed due to Auger-type electron-electron scattering. Intradot relaxation from the quantum dot excited state to the ground state was also observed on the time scale of 100 ps. With highly doped electron density in the structure, the inter-sublevel relaxation is dominated by Auger-type electron-electron scattering and the phonon bottleneck effect is circumvented. Nanosecond-scale recovery in larger-sized quantum dots was observed, not intrinsic to electron dynamics but due to band-bending and built-in voltage drift. An ensemble Monte Carlo simulation was also established to model the dynamics in quantum dots and in goad agreement with the experimental results. We presented a comprehensive picture of electron dynamics in the unipolar quantum dot structure. Although the phonon bottleneck is circumvented with high doped electron density, relaxation processes in unipolar quantum dots have been measured with time scales longer than that of bipolar systems. The results explain the operation principles of the quantum dot infrared photodetector on a microscopic level and provide basic understanding for future applications and designs.

Anomalous and non-Gaussian diffusion in Hertzian spheres

NASA Astrophysics Data System (ADS)

Ouyang, Wenze; Sun, Bin; Sun, Zhiwei; Xu, Shenghua

2018-09-01

By means of molecular dynamics simulations, we study the non-Gaussian diffusion in the fluid of Hertzian spheres. The time dependent non-Gaussian parameter, as an indicator of the dynamic heterogeneity, is increased with the increasing of temperature. When the temperature is high enough, the dynamic heterogeneity becomes very significant, and it seems counterintuitive that the maximum of non-Gaussian parameter and the position of its peak decrease monotonically with the increasing of density. By fitting the curves of self intermediate scattering function, we find that the character relaxation time τα is surprisingly not coupled with the time τmax where the non-Gaussian parameter reaches to a maximum. The intriguing features of non-Gaussian diffusion at high enough temperatures can be associated with the weakly correlated mean-field behavior of Hertzian spheres. Especially the time τmax is nearly inversely proportional to the density at extremely high temperatures.

Density-dependent resistance of the gypsy moth, Lymantria dispar, to its nucleopolyhedrovirus

Treesearch

James R. Reilly; Ann E. Hajek

2007-01-01

The processes controlling disease resistance can strongly influence the population dynamics of insect outbreaks. Evidence that disease resistance is density-dependent is accumulating, but the exact form of this relationship is highly variable from species to species.

Exciton recombination dynamics in CdSe nanowires: bimolecular to three-carrier Auger kinetics.

PubMed

Robel, István; Bunker, Bruce A; Kamat, Prashant V; Kuno, Masaru

2006-07-01

Ultrafast relaxation dynamics of charge carriers in CdSe quantum wires with diameters between 6 and 8 nm are studied as a function of carrier density. At high electron-hole pair densities above 10(19) cm(-3) the dominant process for carrier cooling is the "bimolecular" Auger recombination of one-dimensional (1D) excitons. However, below this excitation level an unexpected transition from a bimolecular (exciton-exciton) to a three-carrier Auger relaxation mechanism occurs. Thus, depending on excitation intensity, electron-hole pair relaxation dynamics in the nanowires exhibit either 1D or 0D (quantum dot) character. This dual nature of the recovery kinetics defines an optimal intensity for achieving optical gain in solution-grown nanowires given the different carrier-density-dependent scaling of relaxation rates in either regime.

Experimental and Computational Studies of Molecular and Lattice Symmetries of Energetic Materials at High Pressure

DTIC Science & Technology

2002-01-01

Prescribed by ANSI Std Z39-18 Research and Technology Department Dynamics and Diagnostics Division, Static High- Pressure Group Overall Research...Department Dynamics and Diagnostics Division, Static High- Pressure Group Impact of this Basic Research • This research generates phase and density...Static High- Pressure Group Experimental Methodology Use Diamond Anvil Cells (DAC) with coil Heaters (HDAC) to achieve • High pressures (P) to 10 GPa

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

PubMed Central

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-01-01

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries. PMID:28443608

Dynamic high energy density plasma environments at the National Ignition Facility for nuclear science research

NASA Astrophysics Data System (ADS)

Cerjan, Ch J.; Bernstein, L.; Berzak Hopkins, L.; Bionta, R. M.; Bleuel, D. L.; Caggiano, J. A.; Cassata, W. S.; Brune, C. R.; Frenje, J.; Gatu-Johnson, M.; Gharibyan, N.; Grim, G.; Hagmann, Chr; Hamza, A.; Hatarik, R.; Hartouni, E. P.; Henry, E. A.; Herrmann, H.; Izumi, N.; Kalantar, D. H.; Khater, H. Y.; Kim, Y.; Kritcher, A.; Litvinov, Yu A.; Merrill, F.; Moody, K.; Neumayer, P.; Ratkiewicz, A.; Rinderknecht, H. G.; Sayre, D.; Shaughnessy, D.; Spears, B.; Stoeffl, W.; Tommasini, R.; Yeamans, Ch; Velsko, C.; Wiescher, M.; Couder, M.; Zylstra, A.; Schneider, D.

2018-03-01

The generation of dynamic high energy density plasmas in the pico- to nano-second time domain at high-energy laser facilities affords unprecedented nuclear science research possibilities. At the National Ignition Facility (NIF), the primary goal of inertial confinement fusion research has led to the synergistic development of a unique high brightness neutron source, sophisticated nuclear diagnostic instrumentation, and versatile experimental platforms. These novel experimental capabilities provide a new path to investigate nuclear processes and structural effects in the time, mass and energy density domains relevant to astrophysical phenomena in a unique terrestrial environment. Some immediate applications include neutron capture cross-section evaluation, fission fragment production, and ion energy loss measurement in electron-degenerate plasmas. More generally, the NIF conditions provide a singular environment to investigate the interplay of atomic and nuclear processes such as plasma screening effects upon thermonuclear reactivity. Achieving enhanced understanding of many of these effects will also significantly advance fusion energy research and challenge existing theoretical models.

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-04-01

Undesired electrode-electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.

Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics.

PubMed

Padula, Daniele; Lee, Myeong H; Claridge, Kirsten; Troisi, Alessandro

2017-11-02

In this paper, we adopt an approach suitable for monitoring the time evolution of the intramolecular contribution to the spectral density of a set of identical chromophores embedded in their respective environments. We apply the proposed method to the Fenna-Matthews-Olson (FMO) complex, with the objective to quantify the differences among site-dependent spectral densities and the impact of such differences on the exciton dynamics of the system. Our approach takes advantage of the vertical gradient approximation to reduce the computational demands of the normal modes analysis. We show that the region of the spectral density that is believed to strongly influence the exciton dynamics changes significantly in the timescale of tens of nanoseconds. We then studied the impact of the intramolecular vibrations on the exciton dynamics by considering a model of FMO in a vibronic basis and neglecting the interaction with the environment to isolate the role of the intramolecular exciton-vibration coupling. In agreement with the assumptions in the literature, we demonstrate that high frequency modes at energy much larger than the excitonic energy splitting have negligible influence on exciton dynamics despite the large exciton-vibration coupling. We also find that the impact of including the site-dependent spectral densities on exciton dynamics is not very significant, indicating that it may be acceptable to apply the same spectral density on all sites. However, care needs to be taken for the description of the exciton-vibrational coupling in the low frequency part of intramolecular modes because exciton dynamics is more susceptible to low frequency modes despite their small Huang-Rhys factors.

Population Density and Seasonality Effects on Sin Nombre Virus Transmission in North American Deermice (Peromyscus maniculatus) in Outdoor Enclosures

PubMed Central

Bagamian, Karoun H.; Douglass, Richard J.; Alvarado, Arlene; Kuenzi, Amy J.; Amman, Brian R.; Waller, Lance A.; Mills, James N.

2012-01-01

Surveys of wildlife host-pathogen systems often document clear seasonal variation in transmission; conclusions concerning the relationship between host population density and transmission vary. In the field, effects of seasonality and population density on natural disease cycles are challenging to measure independently, but laboratory experiments may poorly reflect what happens in nature. Outdoor manipulative experiments are an alternative that controls for some variables in a relatively natural environment. Using outdoor enclosures, we tested effects of North American deermouse (Peromyscus maniculatus) population density and season on transmission dynamics of Sin Nombre hantavirus. In early summer, mid-summer, late summer, and fall 2007–2008, predetermined numbers of infected and uninfected adult wild deermice were released into enclosures and trapped weekly or bi-weekly. We documented 18 transmission events and observed significant seasonal effects on transmission, wounding frequency, and host breeding condition. Apparent differences in transmission incidence or wounding frequency between high- and low-density treatments were not statistically significant. However, high host density was associated with a lower proportion of males with scrotal testes. Seasonality may have a stronger influence on disease transmission dynamics than host population density, and density effects cannot be considered independent of seasonality. PMID:22768034

A molecular dynamics study of ambient and high pressure phases of silica: structure and enthalpy variation with molar volume.

PubMed

Rajappa, Chitra; Sringeri, S Bhuvaneshwari; Subramanian, Yashonath; Gopalakrishnan, J

2014-06-28

Extensive molecular dynamics studies of 13 different silica polymorphs are reported in the isothermal-isobaric ensemble with the Parrinello-Rahman variable shape simulation cell. The van Beest-Kramer-van Santen (BKS) potential is shown to predict lattice parameters for most phases within 2%-3% accuracy, as well as the relative stabilities of different polymorphs in agreement with experiment. Enthalpies of high-density polymorphs - CaCl2-type, α-PbO2-type, and pyrite-type - for which no experimental data are available as yet, are predicted here. Further, the calculated enthalpies exhibit two distinct regimes as a function of molar volume-for low and medium-density polymorphs, it is almost independent of volume, while for high-pressure phases a steep dependence is seen. A detailed analysis indicates that the increased short-range contributions to enthalpy in the high-density phases arise not only from an increased coordination number of silicon but also shorter Si-O bond lengths. Our results indicate that amorphous phases of silica exhibit better optimization of short-range interactions than crystalline phases at the same density while the magnitude of Coulombic contributions is lower in the amorphous phase.

A search for two types of transverse excitations in liquid polyvalent metals at ambient pressure: An ab initio molecular dynamics study of collective excitations in liquid Al, Tl and Ni

NASA Astrophysics Data System (ADS)

Bryk, Taras; Demchuk, Taras; Jakse, Noël; Wax, Jean-François

2018-02-01

Recent findings of pressure-induced emergence of unusual high-frequency contribution to transverse current spectral functions in several simple liquid metals at high pressures raised a question whether similar features can be observed in liquid metals at ambient conditions. We report here analysis of ab initio molecular dynamics-derived longitudinal (L) and transverse (T) current spectral functions and corresponding dispersions of collective excitations in liquid polyvalent metals Al, Tl, Ni. We have not found evidences of the second branch of high-frequency transverse modes in liquid Al and Ni, while in the case of liquid Tl they were clearly present in transverse dynamics. The vibrational density of states for liquid Tl has a pronounced high-frequency shoulder, which is located right in the frequency range of the second high-frequency transverse branch, while for liquid Al and Ni the vibrational density of states has only a weak indication of possible high-frequency shoulder. The origin of specific behavior of transverse excitations in liquid Tl is discussed.

Analysis of a new PM motor design for a rotary dynamic blood Pump.

PubMed

Xu, L; Wang, F; Fu, M; Medvedev, A; Smith, W A; Golding, L A

1997-01-01

The permanent magnet (PM) motor for a rotary dynamic blood pump requires high power density to coordinate the motor size with the limited pump space and high efficiency to reduce the size and weight of the associated batteries. The motor also serves as a passive axial magnetic thrust bearing, a reacting hydraulic force, and provides a stabilizing force for the radial journal bearing. This article presents analysis of a new PM motor for the blood pump application. High power density is achieved by using the Halbach magnetic array, and high efficiency is accomplished by optimizing the rotor magnet assembly and the stator slots/windings. While both radial and axial forces are greatly enhanced, pulsating components of the torque and force are also significantly reduced.

Novel changes in discoidal high density lipoprotein morphology: a molecular dynamics study.

PubMed

Catte, Andrea; Patterson, James C; Jones, Martin K; Jerome, W Gray; Bashtovyy, Denys; Su, Zhengchang; Gu, Feifei; Chen, Jianguo; Aliste, Marcela P; Harvey, Stephen C; Li, Ling; Weinstein, Gilbert; Segrest, Jere P

2006-06-15

ApoA-I is a uniquely flexible lipid-scavenging protein capable of incorporating phospholipids into stable particles. Here we report molecular dynamics simulations on a series of progressively smaller discoidal high density lipoprotein particles produced by incremental removal of palmitoyloleoylphosphatidylcholine via four different pathways. The starting model contained 160 palmitoyloleoylphosphatidylcholines and a belt of two antiparallel amphipathic helical lipid-associating domains of apolipoprotein (apo) A-I. The results are particularly compelling. After a few nanoseconds of molecular dynamics simulation, independent of the starting particle and method of size reduction, all simulated double belts of the four lipidated apoA-I particles have helical domains that impressively approximate the x-ray crystal structure of lipid-free apoA-I, particularly between residues 88 and 186. These results provide atomic resolution models for two of the particles produced by in vitro reconstitution of nascent high density lipoprotein particles. These particles, measuring 95 angstroms and 78 angstroms by nondenaturing gradient gel electrophoresis, correspond in composition and in size/shape (by negative stain electron microscopy) to the simulated particles with molar ratios of 100:2 and 50:2, respectively. The lipids of the 100:2 particle family form minimal surfaces at their monolayer-monolayer interface, whereas the 50:2 particle family displays a lipid pocket capable of binding a dynamic range of phospholipid molecules.

Novel Changes in Discoidal High Density Lipoprotein Morphology: A Molecular Dynamics Study

PubMed Central

Catte, Andrea; Patterson, James C.; Jones, Martin K.; Jerome, W. Gray; Bashtovyy, Denys; Su, Zhengchang; Gu, Feifei; Chen, Jianguo; Aliste, Marcela P.; Harvey, Stephen C.; Li, Ling; Weinstein, Gilbert; Segrest, Jere P.

2006-01-01

ApoA-I is a uniquely flexible lipid-scavenging protein capable of incorporating phospholipids into stable particles. Here we report molecular dynamics simulations on a series of progressively smaller discoidal high density lipoprotein particles produced by incremental removal of palmitoyloleoylphosphatidylcholine via four different pathways. The starting model contained 160 palmitoyloleoylphosphatidylcholines and a belt of two antiparallel amphipathic helical lipid-associating domains of apolipoprotein (apo) A-I. The results are particularly compelling. After a few nanoseconds of molecular dynamics simulation, independent of the starting particle and method of size reduction, all simulated double belts of the four lipidated apoA-I particles have helical domains that impressively approximate the x-ray crystal structure of lipid-free apoA-I, particularly between residues 88 and 186. These results provide atomic resolution models for two of the particles produced by in vitro reconstitution of nascent high density lipoprotein particles. These particles, measuring 95 Å and 78 Å by nondenaturing gradient gel electrophoresis, correspond in composition and in size/shape (by negative stain electron microscopy) to the simulated particles with molar ratios of 100:2 and 50:2, respectively. The lipids of the 100:2 particle family form minimal surfaces at their monolayer-monolayer interface, whereas the 50:2 particle family displays a lipid pocket capable of binding a dynamic range of phospholipid molecules. PMID:16581834

Metalloid Aluminum Clusters with Fluorine

DTIC Science & Technology

2016-12-01

molecular dynamics, binding energy , siesta code, density of states, projected density of states 15. NUMBER OF PAGES 69 16. PRICE CODE 17. SECURITY...high energy density compared to explosives, but typically release this energy slowly via diffusion-limited combustion. There is recent interest in using...examine the cluster binding energy and electronic structure. Partial fluorine substitution in a prototypical aluminum-cyclopentadienyl cluster results

Biotic interactions at hydrothermal vents: Recruitment inhibition by the mussel Bathymodiolus thermophilus

NASA Astrophysics Data System (ADS)

Lenihan, H. S.; Mills, S. W.; Mullineaux, L. S.; Peterson, C. H.; Fisher, C. R.; Micheli, F.

2008-12-01

The structure and dynamics of marine communities are regulated in part by variation in recruitment. As in other ecosystems, recruitment at deep-sea hydrothermal vents is controlled by the interplay of propagule supply and behavior, gradients in physical-chemical conditions, and biotic interactions during pre- and post-settlement periods. Recent research along the East Pacific Rise indicates that inhibition of recently settled larvae by mobile predators (mainly limpets) influences patterns of recruitment and subsequent community succession. We conducted a manipulative experiment at the same sites (˜2510 m water depth) to test whether high-density assemblages of the mussel Bathymodiolus thermophilus also inhibit recruitment. In a preliminary study, recruitment of vent invertebrates within the faunal zone dominated by B. thermophilus was strikingly different at two sites, East Wall and Worm Hole. East Wall had high densities of mussels but very low total recruitment. In contrast, Worm Hole had few mussels but high recruitment. Using the submersible Alvin, we transplanted a large number of mussels from East Wall to Worm Hole and quantified recruitment on basalt blocks placed in three treatments: (1) naturally high densities of mussels at East Wall; (2) naturally low densities of mussels at Worm Hole; and (3) high densities of transplanted mussels at Worm Hole. After 11 months, a total of 24 taxa had recruited to the basalt blocks. Recruitment was 44-60% lower in the transplanted high-density mussel patch at Worm Hole and the natural high-density patch at East Wall than within the natural low-density patch at Worm Hole. Biotic processes that may have caused the pattern of recruitment observed included predation of larvae via water filtration by mussels, larval avoidance of superior competitors, interference competition, and enhanced predation by species within the mussel-bed community. Our results indicate that biotic interactions affecting recruitment must be understood to explain patterns of invertebrate community organization and dynamics at hydrothermal vents.

TIME-DEPENDENT DENSITY DIAGNOSTICS OF SOLAR FLARE PLASMAS USING SDO/EVE

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

Milligan, Ryan O.; Kennedy, Michael B.; Mathioudakis, Mihalis

2012-08-10

Temporally resolved electron density measurements of solar flare plasmas are presented using data from the EUV Variability Experiment (EVE) on board the Solar Dynamics Observatory. The EVE spectral range contains emission lines formed between 10{sup 4} and 10{sup 7} K, including transitions from highly ionized iron ({approx}>10 MK). Using three density-sensitive Fe XXI ratios, peak electron densities of 10{sup 11.2}-10{sup 12.1} cm{sup -3} were found during four X-class flares. While previous measurements of densities at such high temperatures were made at only one point during a flaring event, EVE now allows the temporal evolution of these high-temperature densities to bemore » determined at 10 s cadence. A comparison with GOES data revealed that the peak of the density time profiles for each line ratio correlated well with that of the emission measure time profile for each of the events studied.« less

Modeling of dislocation dynamics in germanium Czochralski growth

NASA Astrophysics Data System (ADS)

Artemyev, V. V.; Smirnov, A. D.; Kalaev, V. V.; Mamedov, V. M.; Sidko, A. P.; Podkopaev, O. I.; Kravtsova, E. D.; Shimansky, A. F.

2017-06-01

Obtaining very high-purity germanium crystals with low dislocation density is a practically difficult problem, which requires knowledge and experience in growth processes. Dislocation density is one of the most important parameters defining the quality of germanium crystal. In this paper, we have performed experimental study of dislocation density during 4-in. germanium crystal growth using the Czochralski method and comprehensive unsteady modeling of the same crystal growth processes, taking into account global heat transfer, melt flow and melt/crystal interface shape evolution. Thermal stresses in the crystal and their relaxation with generation of dislocations within the Alexander-Haasen model have been calculated simultaneously with crystallization dynamics. Comparison to experimental data showed reasonable agreement for the temperature, interface shape and dislocation density in the crystal between calculation and experiment.

Prediction of Liquefaction Potential of Dredge Fill Sand by DCP and Dynamic Probing

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

Alam, Md. Jahangir; Azad, Abul Kalam; Rahman, Ziaur

2008-07-08

From many research it is proved that liquefaction potential of sand is function of mainly relative density and confining pressure. During routine site investigations, high-quality sampling and laboratory testing of sands are not feasible because of inevitable sample disturbance effects and budgetary constraints. On the other hand quality control of sand fill can be done by determining in situ density of sand in layer by layer which is expensive and time consuming. In this paper TRL DCP (Transportation Research Laboratory Dynamic Cone Penetration) and DPL (Dynamic Probing Light) are calibrated to predict the relative density of sand deposit. For thismore » purpose sand of known relative density is prepared in a calibration chamber which is a mild steel cylinder with diameter 0.5 m and height 1.0 m. Relative density of sand is varied by controlling height of fall and diameter of hole of sand discharge bowl. After filling, every time DPL and DCP tests are performed and for every blow the penetration of cone is recorded. N10 is then calculated from penetration records. Thus a database is compiled where N10 and relative densities are known. A correlation is made between N{sub 10} and relative density for two types of sand. A good correlation of N{sub 10} and relative density is found.« less

Relaxation dynamics in a binary hard-ellipse liquid.

PubMed

Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia

2015-01-21

Structural relaxation in binary hard spherical particles has been shown recently to exhibit a wealth of remarkable features when size disparity or mixture composition is varied. In this paper, we test whether or not similar dynamical phenomena occur in glassy systems composed of binary hard ellipses. We demonstrate via event-driven molecular dynamics simulation that a binary hard-ellipse mixture with an aspect ratio of two and moderate size disparity displays characteristic glassy dynamics upon increasing density in both the translational and the rotational degrees of freedom. The rotational glass transition density is found to be close to the translational one for the binary mixtures investigated. More importantly, we assess the influence of size disparity and mixture composition on the relaxation dynamics. We find that an increase of size disparity leads, both translationally and rotationally, to a speed up of the long-time dynamics in the supercooled regime so that both the translational and the rotational glass transition shift to higher densities. By increasing the number concentration of the small particles, the time evolution of both translational and rotational relaxation dynamics at high densities displays two qualitatively different scenarios, i.e., both the initial and the final part of the structural relaxation slow down for small size disparity, while the short-time dynamics still slows down but the final decay speeds up in the binary mixture with large size disparity. These findings are reminiscent of those observed in binary hard spherical particles. Therefore, our results suggest a universal mechanism for the influence of size disparity and mixture composition on the structural relaxation in both isotropic and anisotropic particle systems.

Head-on collision of multistate ultralight BEC dark matter configurations

NASA Astrophysics Data System (ADS)

Guzmán, F. S.; Avilez, Ana A.

2018-06-01

Density profiles of ultralight Bose-condensate dark matter inferred from numerical simulations of structure formation, ruled by the Gross-Pitaevskii-Poisson (GPP) system of equations, have a core-tail structure. Multistate equilibrium configurations of the GPP system, on the other hand, have a similar core-tail density profile. We now submit these multistate configurations to highly dynamical scenarios and show their potential as providers of appropriate density profiles of structures. We present the simulation of head-on collisions between two equilibrium configurations of the GPP system of equations, including the collision of ground state with multistate configurations. We study the regimes of solitonic and merger behavior and show generic properties of the dynamics of the system, including the relaxation process and attractor density profiles. We show that the merger of multistate configurations has the potential to produce core-tail density profiles, with the core dominated by the ground state and the halo dominated by an additional state.

CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations

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

Mei, Yuan; Liu, Weihua; Migdiov, A. A.

We invesmore » tigated the hydration of the CuCl 0 complex in HCl-bearing water vapor at 350°C and a vapor-like fluid density between 0.02 and 0.09 g/cm 3 using ab initio molecular dynamics (MD) simulations. The simulations reveal that one water molecule is strongly bonded to Cu(I) (first coordination shell), forming a linear [H 2O-Cu-Cl] 0 moiety. The second hydration shell is highly dynamic in nature, and individual configurations have short life-spans in such low-density vapors, resulting in large fluctuations in instantaneous hydration numbers over a timescale of picoseconds. The average hydration number in the second shell (m) increased from ~0.5 to ~3.5 and the calculated number of hydrogen bonds per water molecule increased from 0.09 to 0.25 when fluid density (which is correlated to water activity) increased from 0.02 to 0.09 g/cm 3 ( f H 2O 1.72 to 2.05). These changes of hydration number are qualitatively consistent with previous solubility studies under similar conditions, although the absolute hydration numbers from MD were much lower than the values inferred by correlating experimental Cu fugacity with water fugacity. This could be due to the uncertainties in the MD simulations and uncertainty in the estimation of the fugacity coefficients for these highly nonideal “vapors” in the experiments. Finally, our study provides the first theoretical confirmation that beyond-first-shell hydrated metal complexes play an important role in metal transport in low-density hydrothermal fluids, even if it is highly disordered and dynamic in nature.« less

CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations

DOE PAGES

Mei, Yuan; Liu, Weihua; Migdiov, A. A.; ...

2018-05-02

We invesmore » tigated the hydration of the CuCl 0 complex in HCl-bearing water vapor at 350°C and a vapor-like fluid density between 0.02 and 0.09 g/cm 3 using ab initio molecular dynamics (MD) simulations. The simulations reveal that one water molecule is strongly bonded to Cu(I) (first coordination shell), forming a linear [H 2O-Cu-Cl] 0 moiety. The second hydration shell is highly dynamic in nature, and individual configurations have short life-spans in such low-density vapors, resulting in large fluctuations in instantaneous hydration numbers over a timescale of picoseconds. The average hydration number in the second shell (m) increased from ~0.5 to ~3.5 and the calculated number of hydrogen bonds per water molecule increased from 0.09 to 0.25 when fluid density (which is correlated to water activity) increased from 0.02 to 0.09 g/cm 3 ( f H 2O 1.72 to 2.05). These changes of hydration number are qualitatively consistent with previous solubility studies under similar conditions, although the absolute hydration numbers from MD were much lower than the values inferred by correlating experimental Cu fugacity with water fugacity. This could be due to the uncertainties in the MD simulations and uncertainty in the estimation of the fugacity coefficients for these highly nonideal “vapors” in the experiments. Finally, our study provides the first theoretical confirmation that beyond-first-shell hydrated metal complexes play an important role in metal transport in low-density hydrothermal fluids, even if it is highly disordered and dynamic in nature.« less

Spacecraft observations of a Maxwell Demon coating the separatrix of asymmetric magnetic reconnection with crescent-shaped electron distributions

NASA Astrophysics Data System (ADS)

Egedal, J.; Le, A.; Daughton, W.; Wetherton, B.; Cassak, Pa; Chen, Lj; Lavraud, B.; Dorell, J.; Avanov, L.; Gershman, D.

2016-10-01

During asymmetric magnetic reconnection in the dayside magnetopause in situ spacecraft mea- surements show that electrons from the high density inflow penetrate some distance into the low density inflow. Supported by a kinetic simulation, we present a general derivation of an exclusion energy parameter, which provides a lower kinetic energy bound for an electron to jump across the reconnection region from one inflow region to the other. As by a Maxwell Demon, only high energy electrons are permitted to cross the inner reconnection region, strongly impacting the form of the electron distribution function observed along the low density side separatrix. The dynamics produce two distinct flavors of crescent-shaped electron distributions in a thin boundary layer along the separatrix between the magnetospheric inflow and the reconnection exhaust. The analytical model presented relates these salient details of the distribution function to the electron dynamics in the inner reconnection region.

Phage-Bacterial Dynamics with Spatial Structure: Self Organization around Phage Sinks Can Promote Increased Cell Densities

PubMed Central

Bull, James J.; Christensen, Kelly A.; Scott, Carly; Crandall, Cameron J.; Krone, Stephen M.

2018-01-01

Bacteria growing on surfaces appear to be profoundly more resistant to control by lytic bacteriophages than do the same cells grown in liquid. Here, we use simulation models to investigate whether spatial structure per se can account for this increased cell density in the presence of phages. A measure is derived for comparing cell densities between growth in spatially structured environments versus well mixed environments (known as mass action). Maintenance of sensitive cells requires some form of phage death; we invoke death mechanisms that are spatially fixed, as if produced by cells. Spatially structured phage death provides cells with a means of protection that can boost cell densities an order of magnitude above that attained under mass action, although the effect is sometimes in the opposite direction. Phage and bacteria self organize into separate refuges, and spatial structure operates so that the phage progeny from a single burst do not have independent fates (as they do with mass action). Phage incur a high loss when invading protected areas that have high cell densities, resulting in greater protection for the cells. By the same metric, mass action dynamics either show no sustained bacterial elevation or oscillate between states of low and high cell densities and an elevated average. The elevated cell densities observed in models with spatial structure do not approach the empirically observed increased density of cells in structured environments with phages (which can be many orders of magnitude), so the empirical phenomenon likely requires additional mechanisms than those analyzed here. PMID:29382134

Dynamic Density: An Air Traffic Management Metric

NASA Technical Reports Server (NTRS)

Laudeman, I. V.; Shelden, S. G.; Branstrom, R.; Brasil, C. L.

1998-01-01

The definition of a metric of air traffic controller workload based on air traffic characteristics is essential to the development of both air traffic management automation and air traffic procedures. Dynamic density is a proposed concept for a metric that includes both traffic density (a count of aircraft in a volume of airspace) and traffic complexity (a measure of the complexity of the air traffic in a volume of airspace). It was hypothesized that a metric that includes terms that capture air traffic complexity will be a better measure of air traffic controller workload than current measures based only on traffic density. A weighted linear dynamic density function was developed and validated operationally. The proposed dynamic density function includes a traffic density term and eight traffic complexity terms. A unit-weighted dynamic density function was able to account for an average of 22% of the variance in observed controller activity not accounted for by traffic density alone. A comparative analysis of unit weights, subjective weights, and regression weights for the terms in the dynamic density equation was conducted. The best predictor of controller activity was the dynamic density equation with regression-weighted complexity terms.

A regional-scale, high resolution dynamical malaria model that accounts for population density, climate and surface hydrology.

PubMed

Tompkins, Adrian M; Ermert, Volker

2013-02-18

The relative roles of climate variability and population related effects in malaria transmission could be better understood if regional-scale dynamical malaria models could account for these factors. A new dynamical community malaria model is introduced that accounts for the temperature and rainfall influences on the parasite and vector life cycles which are finely resolved in order to correctly represent the delay between the rains and the malaria season. The rainfall drives a simple but physically based representation of the surface hydrology. The model accounts for the population density in the calculation of daily biting rates. Model simulations of entomological inoculation rate and circumsporozoite protein rate compare well to data from field studies from a wide range of locations in West Africa that encompass both seasonal endemic and epidemic fringe areas. A focus on Bobo-Dioulasso shows the ability of the model to represent the differences in transmission rates between rural and peri-urban areas in addition to the seasonality of malaria. Fine spatial resolution regional integrations for Eastern Africa reproduce the malaria atlas project (MAP) spatial distribution of the parasite ratio, and integrations for West and Eastern Africa show that the model grossly reproduces the reduction in parasite ratio as a function of population density observed in a large number of field surveys, although it underestimates malaria prevalence at high densities probably due to the neglect of population migration. A new dynamical community malaria model is publicly available that accounts for climate and population density to simulate malaria transmission on a regional scale. The model structure facilitates future development to incorporate migration, immunity and interventions.

A regional-scale, high resolution dynamical malaria model that accounts for population density, climate and surface hydrology

PubMed Central

2013-01-01

Background The relative roles of climate variability and population related effects in malaria transmission could be better understood if regional-scale dynamical malaria models could account for these factors. Methods A new dynamical community malaria model is introduced that accounts for the temperature and rainfall influences on the parasite and vector life cycles which are finely resolved in order to correctly represent the delay between the rains and the malaria season. The rainfall drives a simple but physically based representation of the surface hydrology. The model accounts for the population density in the calculation of daily biting rates. Results Model simulations of entomological inoculation rate and circumsporozoite protein rate compare well to data from field studies from a wide range of locations in West Africa that encompass both seasonal endemic and epidemic fringe areas. A focus on Bobo-Dioulasso shows the ability of the model to represent the differences in transmission rates between rural and peri-urban areas in addition to the seasonality of malaria. Fine spatial resolution regional integrations for Eastern Africa reproduce the malaria atlas project (MAP) spatial distribution of the parasite ratio, and integrations for West and Eastern Africa show that the model grossly reproduces the reduction in parasite ratio as a function of population density observed in a large number of field surveys, although it underestimates malaria prevalence at high densities probably due to the neglect of population migration. Conclusions A new dynamical community malaria model is publicly available that accounts for climate and population density to simulate malaria transmission on a regional scale. The model structure facilitates future development to incorporate migration, immunity and interventions. PMID:23419192

The Compressive Behavior of Isocyanate-crosslinked Silica Aerogel at High Strain Rates

NASA Technical Reports Server (NTRS)

Luo, H.; Lu, H.; Leventis, N.

2006-01-01

Aerogels are low-density, highly nano-porous materials. Their engineering applications are limited due to their brittleness and hydrophilicity. Recently, a strong lightweight crosslinked silica aerogel has been developed by encapsulating the skeletal framework of amine-modified silica aerogels with polyureas derived by isocyanate. The mesoporous structure of the underlying silica framework is preserved through conformal polymer coating, and the thermal conductivity remains low. Characterization has been conducted on the thermal, physical properties and the mechanical properties under quasi-static loading conditions. In this paper, we present results on the dynamic compressive behavior of the crosslinked silica aerogel (CSA) using a split Hopkinson pressure bar (SHPB). A new tubing pulse shaper was employed to help reach the dynamic stress equilibrium and constant strain rate. The stress-strain relationship was determined at high strain rates within 114-4386/s. The effects of strain rate, density, specimen thickness and water absorption on the dynamic behavior of the CSA were investigated through a series of dynamic experiments. The Young's moduli (or 0.2% offset compressive yield strengths) at a strain rate approx.350/s were determined as 10.96/2.08, 159.5/6.75, 192.2/7.68, 304.6/11.46, 407.0/20.91 and 640.5/30.47 MPa for CSA with densities 0.205, 0.454, 0.492, 0.551,0.628 and 0.731 g/cu cm, respectively. The deformation and failure behaviors of a native silica aerogel with density (0.472 g/cu cm ), approximately the same as a typical CSA sample were observed with a high speed digital camera. Digital image correlation technique was used to determine the surface strains through a series of images acquired using high speed photography. The relative uniform axial deformation indicated that localized compaction did not occur at a compressive strain level of approx.17%, suggesting most likely failure mechanism at high strain rate to be different from that under quasi-static loading condition. The Poisson s ratio was determined to be 0.162 in nonlinear regime under high strain rates. CSA samples failed generally by splitting, but were much more ductile than native silica aerogels.

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

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

Li, Wangda; Dolocan, Andrei; Oh, Pilgun

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Dynamic high energy density plasma environments at the National Ignition Facility for nuclear science research

DOE PAGES

Cerjan, Ch J.; Bernstein, L.; Hopkins, L. Berzak; ...

2017-08-16

We present the generation of dynamic high energy density plasmas in the pico- to nano-second time domain at high-energy laser facilities affords unprecedented nuclear science research possibilities. At the National Ignition Facility (NIF), the primary goal of inertial confinement fusion research has led to the synergistic development of a unique high brightness neutron source, sophisticated nuclear diagnostic instrumentation, and versatile experimental platforms. These novel experimental capabilities provide a new path to investigate nuclear processes and structural effects in the time, mass and energy density domains relevant to astrophysical phenomena in a unique terrestrial environment. Some immediate applications include neutron capturemore » cross-section evaluation, fission fragment production, and ion energy loss measurement in electron-degenerate plasmas. More generally, the NIF conditions provide a singular environment to investigate the interplay of atomic and nuclear processes such as plasma screening effects upon thermonuclear reactivity. Lastly, achieving enhanced understanding of many of these effects will also significantly advance fusion energy research and challenge existing theoretical models.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

DOE PAGES

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; ...

2017-04-26

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Dynamic high energy density plasma environments at the National Ignition Facility for nuclear science research

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

Cerjan, Ch J.; Bernstein, L.; Hopkins, L. Berzak

We present the generation of dynamic high energy density plasmas in the pico- to nano-second time domain at high-energy laser facilities affords unprecedented nuclear science research possibilities. At the National Ignition Facility (NIF), the primary goal of inertial confinement fusion research has led to the synergistic development of a unique high brightness neutron source, sophisticated nuclear diagnostic instrumentation, and versatile experimental platforms. These novel experimental capabilities provide a new path to investigate nuclear processes and structural effects in the time, mass and energy density domains relevant to astrophysical phenomena in a unique terrestrial environment. Some immediate applications include neutron capturemore » cross-section evaluation, fission fragment production, and ion energy loss measurement in electron-degenerate plasmas. More generally, the NIF conditions provide a singular environment to investigate the interplay of atomic and nuclear processes such as plasma screening effects upon thermonuclear reactivity. Lastly, achieving enhanced understanding of many of these effects will also significantly advance fusion energy research and challenge existing theoretical models.« less

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (< 250 V) 4H-SiC p(sup +)n Junction Diodes--Part II: Dynamic Breakdown Properties. Part 2; Dynamic Breakdown Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Fazi, Christian

1999-01-01

This paper outlines the dynamic reverse-breakdown characteristics of low-voltage (<250 V) small-area <5 x 10(exp -4) sq cm 4H-SiC p(sup +)n diodes subjected to nonadiabatic breakdown-bias pulsewidths ranging from 0.1 to 20 microseconds. 4H-SiC diodes with and without elementary screw dislocations exhibited positive temperature coefficient of breakdown voltage and high junction failure power densities approximately five times larger than the average failure power density of reliable silicon pn rectifiers. This result indicates that highly reliable low-voltage SiC rectifiers may be attainable despite the presence of elementary screw dislocations. However, the impact of elementary screw dislocations on other more useful 4H-SiC power device structures, such as high-voltage (>1 kV) pn junction and Schottky rectifiers, and bipolar gain devices (thyristors, IGBT's, etc.) remains to be investigated.

Ecological drivers of guanaco recruitment: variable carrying capacity and density dependence.

PubMed

Marino, Andrea; Pascual, Miguel; Baldi, Ricardo

2014-08-01

Ungulates living in predator-free reserves offer the opportunity to study the influence of food limitation on population dynamics without the potentially confounding effects of top-down regulation or livestock competition. We assessed the influence of relative forage availability and population density on guanaco recruitment in two predator-free reserves in eastern Patagonia, with contrasting scenarios of population density. We also explored the relative contribution of the observed recruitment to population growth using a deterministic linear model to test the assumption that the studied populations were closed units. The observed densities increased twice as fast as our theoretical populations, indicating that marked immigration has taken place during the recovery phase experienced by both populations, thus we rejected the closed-population assumption. Regarding the factors driving variation in recruitment, in the low- to medium-density setting, we found a positive linear relationship between recruitment and surrogates of annual primary production, whereas no density dependence was detected. In contrast, in the high-density scenario, both annual primary production and population density showed marked effects, indicating a positive relationship between recruitment and per capita food availability above a food-limitation threshold. Our results support the idea that environmental carrying capacity fluctuates in response to climatic variation, and that these fluctuations have relevant consequences for herbivore dynamics, such as amplifying density dependence in drier years. We conclude that including the coupling between environmental variability in resources and density dependence is crucial to model ungulate population dynamics; to overlook temporal changes in carrying capacity may even mask density dependence as well as other important processes.

The role of riparian vegetation density, channel orientation and water velocity in determining river temperature dynamics

NASA Astrophysics Data System (ADS)

Garner, Grace; Malcolm, Iain A.; Sadler, Jonathan P.; Hannah, David M.

2017-10-01

A simulation experiment was used to understand the importance of riparian vegetation density, channel orientation and flow velocity for stream energy budgets and river temperature dynamics. Water temperature and meteorological observations were obtained in addition to hemispherical photographs along a ∼1 km reach of the Girnock Burn, a tributary of the Aberdeenshire Dee, Scotland. Data from nine hemispherical images (representing different uniform canopy density scenarios) were used to parameterise a deterministic net radiation model and simulate radiative fluxes. For each vegetation scenario, the effects of eight channel orientations were investigated by changing the position of north at 45° intervals in each hemispheric image. Simulated radiative fluxes and observed turbulent fluxes drove a high-resolution water temperature model of the reach. Simulations were performed under low and high water velocity scenarios. Both velocity scenarios yielded decreases in mean (≥1.6 °C) and maximum (≥3.0 °C) temperature as canopy density increased. Slow-flowing water resided longer within the reach, which enhanced heat accumulation and dissipation, and drove higher maximum and lower minimum temperatures. Intermediate levels of shade produced highly variable energy flux and water temperature dynamics depending on the channel orientation and thus the time of day when the channel was shaded. We demonstrate that in many reaches relatively sparse but strategically located vegetation could produce substantial reductions in maximum temperature and suggest that these criteria are used to inform future river management.

Reconciling Long-Wavelength Dynamic Topography, Geoid Anomalies and Mass Distribution on Earth

NASA Astrophysics Data System (ADS)

Hoggard, M.; Richards, F. D.; Ghelichkhan, S.; Austermann, J.; White, N.

2017-12-01

Since the first satellite observations in the late 1950s, we have known that that the Earth's non-hydrostatic geoid is dominated by spherical harmonic degree 2 (wavelengths of 16,000 km). Peak amplitudes are approximately ± 100 m, with highs centred on the Pacific Ocean and Africa, encircled by lows in the vicinity of the Pacific Ring of Fire and at the poles. Initial seismic tomography models revealed that the shear-wave velocity, and therefore presumably the density structure, of the lower mantle is also dominated by degree 2. Anti-correlation of slow, probably low density regions beneath geoid highs indicates that the mantle is affected by large-scale flow. Thus, buoyant features are rising and exert viscous normal stresses that act to deflect the surface and core-mantle boundary (CMB). Pioneering studies in the 1980s showed that a viscosity jump between the upper and lower mantle is required to reconcile these geoid and tomographically inferred density anomalies. These studies also predict 1-2 km of dynamic topography at the surface, dominated by degree 2. In contrast to this prediction, a global observational database of oceanic residual depth measurements indicates that degree 2 dynamic topography has peak amplitudes of only 500 m. Here, we attempt to reconcile observations of dynamic topography, geoid, gravity anomalies and CMB topography using instantaneous flow kernels. We exploit a density structure constructed from blended seismic tomography models, combining deep mantle imaging with higher resolution upper mantle features. Radial viscosity structure is discretised, and we invert for the best-fitting viscosity profile using a conjugate gradient search algorithm, subject to damping. Our results suggest that, due to strong sensitivity to radial viscosity structure, the Earth's geoid seems to be compatible with only ± 500 m of degree 2 dynamic topography.

Accurate van der Waals coefficients from density functional theory

PubMed Central

Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

2012-01-01

The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

Numerical and experimental studies of particle flow in a high-pressure boundary-layer wind tunnel

NASA Technical Reports Server (NTRS)

White, B. R.

1984-01-01

The approach was to simulate the surface environment of Venus as closely as practicable and to conduct experiments to determine threshold wind speeds, particle flux, particle velocities, and the characteristics of various aeolian bedforms. The Venus Wind Tunnel (VWT) is described and the experimental procedures that were developed to make the high-pressure wind tunnel measurements are presented. In terrestrial simulations of aeolian activity, it is possible to conduct experiments under pressures and temperatures found in natural environments. Because of the high pressures and temperatures, Venusian simulations are difficult to achieve in this regard. Consequently, extrapolation of results to Venue potentially involves unknown factors. The experimental rationale was developed in the following way: The VWT enables the density of the Venusian atmosphere to be reproduced. Density is the principal atmospheric property for governing saltation threshold, particle flux, and the ballistics of airborne particles (equivalent density maintains dynamic similarity of gas flow). When operated at or near Earth's ambient temperature, VWT achieves Venusian atmospheric density at pressures of about 30 bar, or about one third less than those on Venus, although still maintaining dynamic similarity to Venus.

Thermodynamic and mechanical properties of epoxy resin DGEBF crosslinked with DETDA by molecular dynamics.

PubMed

Tack, Jeremy L; Ford, David M

2008-06-01

Fully atomistic molecular dynamics (MD) simulations were used to predict the properties of diglycidyl ether of bisphenol F (DGEBF) crosslinked with curing agent diethyltoluenediamine (DETDA). This polymer is a commercially important epoxy resin and a candidate for applications in nanocomposites. The calculated properties were density and bulk modulus (at near-ambient pressure and temperature) and glass transition temperature (at near-ambient pressure). The molecular topology, degree of curing, and MD force-field were investigated as variables. The models were created by densely packing pre-constructed oligomers of different composition and connectivity into a periodic simulation box. For high degrees of curing (greater than 90%), the density was found to be insensitive to the molecular topology and precise value of degree of curing. Of the two force-fields that were investigated, cff91 and COMPASS, the latter clearly gave more accurate values for the density as compared to experiment. In fact, the density predicted by COMPASS was within 6% of reported experimental values for the highly crosslinked polymer. The predictions of both force-fields for glass transition temperature were within the range of reported experimental values, with the predictions of cff91 being more consistent with a highly cured resin.

Cyclic dynamics in a simple vertebrate predator-prey community.

PubMed

Gilg, Olivier; Hanski, Ilkka; Sittler, Benoît

2003-10-31

The collared lemming in the high-Arctic tundra in Greenland is preyed upon by four species of predators that show marked differences in the numbers of lemmings each consumes and in the dependence of their dynamics on lemming density. A predator prey model based on the field-estimated predator responses robustly predicts 4-year periodicity in lemming dynamics, in agreement with long-term empirical data. There is no indication in the field that food or space limits lemming population growth, nor is there need in the model to consider those factors. The cyclic dynamics are driven by a 1-year delay in the numerical response of the stoat and stabilized by strongly density-dependent predation by the arctic fox, the snowy owl, and the long-tailed skua.

Time–temperature superposition principle applied to a kenaf-fiber/high-density polyethylene composite

Treesearch

Mehdi Tajvidi; Robert H. Falk; John C. Hermanson

2005-01-01

The time–temperature superposition principle was applied to the viscoelastic properties of a kenaf- fiber/high-density polyethylene (HDPE) composite, and its validity was tested. With a composite of 50% kenaf fibers, 48% HDPE, and 2% compatibilizer, frequency scans from a dynamic mechanical analyzer were performed in the range of 0.1–10 Hz at five different...

High-Energy-Density LCA-Coupled Structural Energetic Materials for Counter WMD Applications

DTIC Science & Technology

2014-04-01

reactive ( thermite ) fillers as high-energy-density structural energetic materials. The specific objectives include performing fundamental studies to...a) investigate mechanics of dynamic densification and reaction initiation in Ta+Fe2O3 and Ta+Bi2O3 thermite powder mixtures and to (b) design and...initiation in the thermite filler and allow controlled fragmentation. Linear Cellular A; counter WMDs; shock-compression and impact-initiated reactions

Structure Analysis of Jungle-Gym-Type Gels by Brownian Dynamics Simulation

NASA Astrophysics Data System (ADS)

Ohta, Noriyoshi; Ono, Kohki; Takasu, Masako; Furukawa, Hidemitsu

2008-02-01

We investigated the structure and the formation process of two kinds of gels by Brownian dynamics simulation. The effect of flexibility of main chain oligomer was studied. From our results, hard gel with rigid main chain forms more homogeneous network structure than soft gel with flexible main chain. In soft gel, many small loops are formed, and clusters tend to shrink. This heterogeneous network structure may be caused by microgels. In the low density case, soft gel shows more heterogeneity than the high density case.

Charge transport calculations by a wave-packet dynamical approach using maximally localized Wannier functions based on density functional theory: Application to high-mobility organic semiconductors

NASA Astrophysics Data System (ADS)

Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

2017-01-01

We present a wave-packet dynamical approach to charge transport using maximally localized Wannier functions based on density functional theory including van der Waals interactions. We apply it to the transport properties of pentacene and rubrene single crystals and show the temperature-dependent natures from bandlike to thermally activated behaviors as a function of the magnitude of external static disorder. We compare the results with those obtained by the conventional band and hopping models and experiments.

Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional calculations

NASA Astrophysics Data System (ADS)

Li, Yanling; Zeng, Zhi; Lin, Haiqing

2010-06-01

The structural, elastic, electronic and dynamical properties of ReB and OsB are investigated by first-principles calculations based on density functional theory. It turns out that ReB and OsB are metallic ultra-incompressible solids with small elastic anisotropy and high hardness. The change of c/ a ratio in OsB indicates that there is a structural phase transition at about 31 GPa. Phonon spectra calculations show that both OsB and ReB are stable dynamically and there are abnormal phonon dispersions along special directions in Brillouin zone. OsB and ReB do not show superconductivity due to very weak electron-phonon interactions in them.

Population cycles: generalities, exceptions and remaining mysteries

PubMed Central

2018-01-01

Population cycles are one of nature's great mysteries. For almost a hundred years, innumerable studies have probed the causes of cyclic dynamics in snowshoe hares, voles and lemmings, forest Lepidoptera and grouse. Even though cyclic species have very different life histories, similarities in mechanisms related to their dynamics are apparent. In addition to high reproductive rates and density-related mortality from predators, pathogens or parasitoids, other characteristics include transgenerational reduced reproduction and dispersal with increasing-peak densities, and genetic similarity among populations. Experiments to stop cyclic dynamics and comparisons of cyclic and noncyclic populations provide some understanding but both reproduction and mortality must be considered. What determines variation in amplitude and periodicity of population outbreaks remains a mystery. PMID:29563267

Complex regression Doppler optical coherence tomography

NASA Astrophysics Data System (ADS)

Elahi, Sahar; Gu, Shi; Thrane, Lars; Rollins, Andrew M.; Jenkins, Michael W.

2018-04-01

We introduce a new method to measure Doppler shifts more accurately and extend the dynamic range of Doppler optical coherence tomography (OCT). The two-point estimate of the conventional Doppler method is replaced with a regression that is applied to high-density B-scans in polar coordinates. We built a high-speed OCT system using a 1.68-MHz Fourier domain mode locked laser to acquire high-density B-scans (16,000 A-lines) at high enough frame rates (˜100 fps) to accurately capture the dynamics of the beating embryonic heart. Flow phantom experiments confirm that the complex regression lowers the minimum detectable velocity from 12.25 mm / s to 374 μm / s, whereas the maximum velocity of 400 mm / s is measured without phase wrapping. Complex regression Doppler OCT also demonstrates higher accuracy and precision compared with the conventional method, particularly when signal-to-noise ratio is low. The extended dynamic range allows monitoring of blood flow over several stages of development in embryos without adjusting the imaging parameters. In addition, applying complex averaging recovers hidden features in structural images.

High hydrostatic pressure specifically affects molecular dynamics and shape of low-density lipoprotein particles

PubMed Central

Golub, M.; Lehofer, B.; Martinez, N.; Ollivier, J.; Kohlbrecher, J.; Prassl, R.; Peters, J.

2017-01-01

Lipid composition of human low-density lipoprotein (LDL) and its physicochemical characteristics are relevant for proper functioning of lipid transport in the blood circulation. To explore dynamical and structural features of LDL particles with either a normal or a triglyceride-rich lipid composition we combined coherent and incoherent neutron scattering methods. The investigations were carried out under high hydrostatic pressure (HHP), which is a versatile tool to study the physicochemical behavior of biomolecules in solution at a molecular level. Within both neutron techniques we applied HHP to probe the shape and degree of freedom of the possible motions (within the time windows of 15 and 100 ps) and consequently the flexibility of LDL particles. We found that HHP does not change the types of motion in LDL, but influences the portion of motions participating. Contrary to our assumption that lipoprotein particles, like membranes, are highly sensitive to pressure we determined that LDL copes surprisingly well with high pressure conditions, although the lipid composition, particularly the triglyceride content of the particles, impacts the molecular dynamics and shape arrangement of LDL under pressure. PMID:28382948

High hydrostatic pressure specifically affects molecular dynamics and shape of low-density lipoprotein particles

NASA Astrophysics Data System (ADS)

Golub, M.; Lehofer, B.; Martinez, N.; Ollivier, J.; Kohlbrecher, J.; Prassl, R.; Peters, J.

2017-04-01

Lipid composition of human low-density lipoprotein (LDL) and its physicochemical characteristics are relevant for proper functioning of lipid transport in the blood circulation. To explore dynamical and structural features of LDL particles with either a normal or a triglyceride-rich lipid composition we combined coherent and incoherent neutron scattering methods. The investigations were carried out under high hydrostatic pressure (HHP), which is a versatile tool to study the physicochemical behavior of biomolecules in solution at a molecular level. Within both neutron techniques we applied HHP to probe the shape and degree of freedom of the possible motions (within the time windows of 15 and 100 ps) and consequently the flexibility of LDL particles. We found that HHP does not change the types of motion in LDL, but influences the portion of motions participating. Contrary to our assumption that lipoprotein particles, like membranes, are highly sensitive to pressure we determined that LDL copes surprisingly well with high pressure conditions, although the lipid composition, particularly the triglyceride content of the particles, impacts the molecular dynamics and shape arrangement of LDL under pressure.

Characteristic density contrasts in the evolution of superclusters. The case of A2142 supercluster

NASA Astrophysics Data System (ADS)

Gramann, Mirt; Einasto, Maret; Heinämäki, Pekka; Teerikorpi, Pekka; Saar, Enn; Nurmi, Pasi; Einasto, Jaan

2015-09-01

Context. The formation and evolution of the cosmic web in which galaxy superclusters are the largest relatively isolated objects is governed by a gravitational attraction of dark matter and antigravity of dark energy (cosmological constant). Aims: We study the characteristic density contrasts in the spherical collapse model for several epochs in the supercluster evolution and their dynamical state. Methods: We analysed the density contrasts for the turnaround, future collapse, and zero gravity in different ΛCDM models and applied them to study the dynamical state of the supercluster A2142 with an almost spherical main body, making it a suitable test object to apply a model that assumes sphericity. Results: We present characteristic density contrasts in the spherical collapse model for different cosmological parameters. The analysis of the supercluster A2142 shows that its high-density core has already started to collapse. The zero-gravity line outlines the outer region of the main body of the supercluster. In the course of future evolution, the supercluster may split into several collapsing systems. Conclusions: The various density contrasts presented in our study and applied to the supercluster A2142 offer a promising way to characterise the dynamical state and expected future evolution of galaxy superclusters.

Dynamics of an Anthropogenic Fire Regime

Treesearch

R. P. Guyette; R. M. Muzika; D. C. Dey

2002-01-01

Human interaction with fire and vegetation occurs at many levels of human population density and cultural development, from subsistence cultures to highly technological societies. The dynamics of these interactions with respect to wildland fire are often difficult to understand and identify at short temporal scales. Dendrochronological fire histories from the Missouri...

Dynamics of an anthropogenic fire regime

Treesearch

Richard P. Guyette; R. M. Muzika; Daniel C. Dey

2002-01-01

Human interaction with fire and vegetation occurs at many levels of human population density and cultural development, from subsistence cultures to highly technological societies. The dynamics of these interactions with respect to wildland fire are often difficult to understand and identify at short temporal scales. Dendrochronological fire histories from the Missouri...

Particle visualization in high-power impulse magnetron sputtering. II. Absolute density dynamics

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

Britun, Nikolay, E-mail: nikolay.britun@umons.ac.be; Palmucci, Maria; Konstantinidis, Stephanos

2015-04-28

Time-resolved characterization of an Ar-Ti high-power impulse magnetron sputtering discharge has been performed. The present, second, paper of the study is related to the discharge characterization in terms of the absolute density of species using resonant absorption spectroscopy. The results on the time-resolved density evolution of the neutral and singly-ionized Ti ground state atoms as well as the metastable Ti and Ar atoms during the discharge on- and off-time are presented. Among the others, the questions related to the inversion of population of the Ti energy sublevels, as well as to re-normalization of the two-dimensional density maps in terms ofmore » the absolute density of species, are stressed.« less

The effect of dynamic topography and gravity on lithospheric effective elastic thickness estimation: a case study

NASA Astrophysics Data System (ADS)

Bai, Yongliang; Dong, Dongdong; Kirby, Jon F.; Williams, Simon E.; Wang, Zhenjie

2018-04-01

Lithospheric effective elastic thickness (Te), a proxy for plate strength, is helpful for the understanding of subduction characteristics. Affected by curvature, faulting and magma activity, lithospheric strength near trenches should be weakened but some regional inversion studies have shown much higher Te values along some trenches than in their surroundings. In order to improve Te estimation accuracy, here we discuss the long-wavelength effect of dynamic topography and gravity on Te estimation by taking the Izu-Bonin-Mariana (IBM) Trench as a case study area. We estimate the long-wavelength influence of the density and negative buoyancy of the subducting slab on observed gravity anomalies and seafloor topography. The residual topography and gravity are used to map Te using the fan-wavelet coherence method. Maps of Te, both with and without the effects of dynamic topography and slab gravity anomaly, contain a band of high-Te values along the IBM Trench, though these values and their errors are lower when slab effects are accounted for. Nevertheless, tests show that the Te map is relatively insensitive to the choice of slab-density modelling method, even though the dynamic topography and slab-induced gravity anomaly vary considerably when the slab density is modelled by different methods. The continued presence of a high-Te band along the trench after application of dynamic corrections shows that, before using 2D inversion methods to estimate Te variations in subduction zones, there are other factors that should be considered besides the slab dynamic effects on the overriding plate.

The effect of dynamic topography and gravity on lithospheric effective elastic thickness estimation: a case study

NASA Astrophysics Data System (ADS)

Bai, Yongliang; Dong, Dongdong; Kirby, Jon F.; Williams, Simon E.; Wang, Zhenjie

2018-07-01

Lithospheric effective elastic thickness (Te), a proxy for plIate strength, is helpful for the understanding of subduction characteristics. Affected by curvature, faulting and magma activity, lithospheric strength near trenches should be weakened but some regional inversion studies have shown much higher Te values along some trenches than in their surroundings. In order to improve Te-estimation accuracy, here we discuss the long-wavelength effect of dynamic topography and gravity on Te estimation by taking the Izu-Bonin-Mariana (IBM) Trench as a case study area. We estimate the long-wavelength influence of the density and negative buoyancy of the subducting slab on observed gravity anomalies and seafloor topography. The residual topography and gravity are used to map Te using the fan-wavelet coherence method. Maps of Te, both with and without the effects of dynamic topography and slab gravity anomaly, contain a band of high-Te values along the IBM Trench, though these values and their errors are lower when slab effects are accounted for. Nevertheless, tests show that the Te map is relatively insensitive to the choice of slab-density modelling method, even though the dynamic topography and slab-induced gravity anomaly vary considerably when the slab density is modelled by different methods. The continued presence of a high-Te band along the trench after application of dynamic corrections shows that, before using 2-D inversion methods to estimate Te variations in subduction zones, there are other factors that should be considered besides the slab dynamic effects on the overriding plate.

Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.

2001-01-01

Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

Dynamics of Large Molecules and Molecular Clusters.

DTIC Science & Technology

1984-06-01

Spectroscop., The high local densities attained in the pexpasion are beneficial for two-photon spectroscopy. High-resolution vibrational two-photon...i.e., anthracene, tetracene and pentacene , in large clusters of Ar, which were synthesized in high-flow supersonic jets (stagnation pressure p : 3000

Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres

NASA Astrophysics Data System (ADS)

Stopper, Daniel; Thorneywork, Alice L.; Dullens, Roel P. A.; Roth, Roland

2018-03-01

Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we calculate the self-van Hove correlation function and distinct van Hove correlation function by extending a recently proposed DDFT-approach for three-dimensional systems to two dimensions. We find that the theoretical results for both self-part and distinct part of the van Hove function are in very good quantitative agreement with the experiments up to relatively high fluid packing fractions of roughly 0.60. However, at even higher densities, deviations between the experiment and the theoretical approach become clearly visible. Upon increasing packing fraction, in experiments, the short-time self-diffusive behavior is strongly affected by hydrodynamic effects and leads to a significant decrease in the respective mean-squared displacement. By contrast, and in accordance with previous simulation studies, the present DDFT, which neglects hydrodynamic effects, shows no dependence on the particle density for this quantity.

Aphid vector population density determines the emergence of necrogenic satellite RNAs in populations of cucumber mosaic virus.

PubMed

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.

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.

Monitoring dynamic reactions of red blood cells to UHF electromagnetic waves radiation using a novel micro-imaging technology.

PubMed

Ruan, Ping; Yong, Junguang; Shen, Hongtao; Zheng, Xianrong

2012-12-01

Multiple state-of-the-art techniques, such as multi-dimensional micro-imaging, fast multi-channel micro-spetrophotometry, and dynamic micro-imaging analysis, were used to dynamically investigate various effects of cell under the 900 MHz electromagnetic radiation. Cell changes in shape, size, and parameters of Hb absorption spectrum under different power density electromagnetic waves radiation were presented in this article. Experimental results indicated that the isolated human red blood cells (RBCs) do not have obviously real-time responses to the ultra-low density (15 μW/cm(2), 31 μW/cm(2)) electromagnetic wave radiation when the radiation time is not more than 30 min; however, the cells do have significant reactions in shape, size, and the like, to the electromagnetic waves radiation with power densities of 1 mW/cm(2) and 5 mW/cm(2). The data also reveal the possible influences and statistical relationships among living human cell functions, radiation amount, and exposure time with high-frequency electromagnetic waves. The results of this study may be significant on protection of human being and other living organisms against possible radiation affections of the high-frequency electromagnetic waves.

Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube

PubMed Central

Nomura, Kentaro; Kaneko, Toshihiro; Bai, Jaeil; Francisco, Joseph S.; Yasuoka, Kenji; Zeng, Xiao Cheng

2017-01-01

Possible transition between two phases of supercooled liquid water, namely the low- and high-density liquid water, has been only predicted to occur below 230 K from molecular dynamics (MD) simulation. However, such a phase transition cannot be detected in the laboratory because of the so-called “no-man’s land” under deeply supercooled condition, where only crystalline ices have been observed. Here, we show MD simulation evidence that, inside an isolated carbon nanotube (CNT) with a diameter of 1.25 nm, both low- and high-density liquid water states can be detected near ambient temperature and above ambient pressure. In the temperature–pressure phase diagram, the low- and high-density liquid water phases are separated by the hexagonal ice nanotube (hINT) phase, and the melting line terminates at the isochore end point near 292 K because of the retracting melting line from 292 to 278 K. Beyond the isochore end point (292 K), low- and high-density liquid becomes indistinguishable. When the pressure is increased from 10 to 600 MPa along the 280-K isotherm, we observe that water inside the 1.25-nm-diameter CNT can undergo low-density liquid to hINT to high-density liquid reentrant first-order transitions. PMID:28373562

Glass polymorphism in amorphous germanium probed by first-principles computer simulations

NASA Astrophysics Data System (ADS)

Mancini, G.; Celino, M.; Iesari, F.; Di Cicco, A.

2016-01-01

The low-density (LDA) to high-density (HDA) transformation in amorphous Ge at high pressure is studied by first-principles molecular dynamics simulations in the framework of density functional theory. Previous experiments are accurately reproduced, including the presence of a well-defined LDA-HDA transition above 8 GPa. The LDA-HDA density increase is found to be about 14%. Pair and bond-angle distributions are obtained in the 0-16 GPa pressure range and allowed us a detailed analysis of the transition. The local fourfold coordination is transformed in an average HDA sixfold coordination associated with different local geometries as confirmed by coordination number analysis and shape of the bond-angle distributions.

Difference in distribution of membrane proteins between low- and high-density secretory granules in parotid acinar cells

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

Fujita-Yoshigaki, Junko; Katsumata, Osamu; Matsuki, Miwako

Secretory granules (SGs) are considered to be generated as immature granules and to mature by condensation of their contents. In this study, SGs of parotid gland were separated into low-, medium-, and high-density granule fractions by Percoll-density gradient centrifugation, since it was proposed that the density corresponds to the degree of maturation. The observation with electron microscopy showed that granules in the three fractions were very similar. The average diameter of high-density granules was a little but significantly larger than that of low-density granules. Although the three fractions contained amylase, suggesting that they are all SGs, distribution of membrane proteinsmore » was markedly different. Syntaxin6 and VAMP4 were localized in the low-density granule fraction, while VAMP2 was concentrated in the high-density granule fraction. Immunoprecipitation with anti-syntaxin6 antibody caused coprecipitation of VAMP2 from the medium-density granule fraction without solubilization, but not from Triton X-100-solubilized fraction, while VAMP4 was coprecipitated from both fractions. Therefore, VAMP2 is present on the same granules, but is separated from syntaxin6 and VAMP4, which are expected to be removed from immature granules. These results suggest that the medium-density granules are intermediates from low- to high-density granules, and that the membrane components of SGs dynamically change by budding and fusion during maturation.« less

High-temperature annealing of graphite: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Petersen, Andrew; Gillette, Victor

2018-05-01

A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.

Fish community changes in the St. Louis River estuary, Lake Superior, 1989-1996: Is it ruffe or population dynamics?

USGS Publications Warehouse

Bronte, Charles R.; Evrard, Lori M.; Brown, William P.; Mayo, Kathleen R.; Edwards, Andrew J.

1998-01-01

Ruffe (Gymnocephalus cernuus) have been implicated in density declines of native species through egg predation and competition for food in some European waters where they were introduced. Density estimates for ruffe and principal native fishes in the St. Louis River estuary (western Lake Superior) were developed for 1989 to 1996 to measure changes in the fish community in response to an unintentional introduction of ruffe. During the study, ruffe density increased and the densities of several native species decreased. The reductions of native stocks to the natural population dynamics of the same species from Chequamegon Bay, Lake Superior (an area with very few ruffe) were developed, where there was a 24-year record of density. Using these data, short- and long-term variations in catch and correlations among species within years were compared, and species-specific distributions were developed of observed trends in abundance of native fishes in Chequamegon Bay indexed by the slopes of densities across years. From these distributions and our observed trend-line slopes from the St. Louis River, probabilities of measuring negative change at the magnitude observed in the St. Louis River were estimated. Compared with trends in Chequamegon Bay, there was a high probability of obtaining the negative slopes measured for most species, which suggests natural population dynamics could explain, the declines rather than interactions with ruffe. Variable recruitment, which was not related to ruffe density, and associated density-dependent changes in mortality likely were responsible for density declines of native species.

Peculiarities of Vibration Characteristics of Amorphous Ices

NASA Astrophysics Data System (ADS)

Gets, Kirill V.; Subbotin, Oleg S.; Belosludov, Vladimir R.

2012-03-01

Dynamic properties of low (LDA), high (HDA) and very high (VHDA) density amorphous ices were investigated within the approach based on Lattice Dynamics simulations. In this approach, we assume that the short-range molecular order mainly determines the dynamic and thermodynamic properties of amorphous ices. Simulation cell of 512 water molecules with periodical boundary conditions and disordering allows us to study dynamical properties and dispersion curves in the Brillouin zone of pseudo-crystal. Existence of collective phenomena in amorphous ices which is usual for crystals but anomalous for disordered phase was confirmed in our simulations. Molecule amplitudes of delocalized (collective) as well as localized vibrations have been considered.

Nonequilibrium simulations of model ionomers in an oscillating electric field

DOE PAGES

Ting, Christina L.; Sorensen-Unruh, Karen E.; Stevens, Mark J.; ...

2016-07-25

Here, we perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understoodmore » by comparison with relevant time scales in the systems, obtained from independent calculations.« less

Nonequilibrium simulations of model ionomers in an oscillating electric field

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

Ting, Christina L.; Sorensen-Unruh, Karen E.; Stevens, Mark J.

Here, we perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understoodmore » by comparison with relevant time scales in the systems, obtained from independent calculations.« less

Population cycles: generalities, exceptions and remaining mysteries.

PubMed

Myers, Judith H

2018-03-28

Population cycles are one of nature's great mysteries. For almost a hundred years, innumerable studies have probed the causes of cyclic dynamics in snowshoe hares, voles and lemmings, forest Lepidoptera and grouse. Even though cyclic species have very different life histories, similarities in mechanisms related to their dynamics are apparent. In addition to high reproductive rates and density-related mortality from predators, pathogens or parasitoids, other characteristics include transgenerational reduced reproduction and dispersal with increasing-peak densities, and genetic similarity among populations. Experiments to stop cyclic dynamics and comparisons of cyclic and noncyclic populations provide some understanding but both reproduction and mortality must be considered. What determines variation in amplitude and periodicity of population outbreaks remains a mystery. © 2018 The Author(s).

Transport dynamics of a high-power-density matrix-type hydrogen-oxygen fuel cell

NASA Technical Reports Server (NTRS)

Prokopius, P. R.; Hagedorn, N. H.

1974-01-01

Experimental transport dynamics tests were made on a space power fuel cell of current design. Various operating transients were introduced and transport-related response data were recorded with fluidic humidity sensing instruments. Also, sampled data techniques were developed for measuring the cathode-side electrolyte concentration during transient operation.

Multiple Experimental Efforts to Understand the Structure and Dynamics of Earth's Core

NASA Astrophysics Data System (ADS)

Fei, Y.; Han, L.; Bennett, N.; Hou, M.; Kuwayama, Y.; Huang, H.

2014-12-01

It requires integration of data from different types of high-pressure experiments to understand the structure and dynamics of Earth's core. In particular, measurements of physical properties and element partitioning in systems relevant to the core provide complementary data to narrow down the range of possible core compositions. We have performed both static and dynamic compression experiments and combined results from these with literature data to establish a reliable thermal equation of state of iron. This allows us to precisely determine the density deficit in the solid inner core. The combination of density and sound velocity measurements for both solid and liquid iron and its alloys provide tight constraints on the density deficit in the liquid outer core and the amount of sulphur required to match the geophysical observations. We then conducted element-partitioning experiments between solid and liquid iron in both multi-anvil apparatus and the laser-heated diamond-anvil cell to determine the sulphur, silicon, and oxygen partitioning between the liquid outer core and solid inner core. We present newly developed high-pressure experimental and nano-scale analytical techniques that allow us to simulate the conditions of the inner core boundary (ICB) and analyze the chemical compositions of coexisting phases in the recovered samples. We have established protocols to obtain high-quality partitioning data in the laser-heating diamond-anvil cell combined with FIB/SEM crossbeam technology. The partitioning data obtained up to at least 200 GPa provide additional criteria to explain the observed density and velocity jumps at the ICB.

Modeling the effects of climate on date palm scale ( Parlatoria blanchardi) population dynamics during different phenological stages of life history under hot arid conditions

NASA Astrophysics Data System (ADS)

Idder-Ighili, Hakima; Idder, Mohamed Azzedine; Doumandji-Mitiche, Bahia; Chenchouni, Haroun

2015-10-01

The date palm scale (DPS) Parlatoria blanchardi is a serious pest due to the damage it inflicts on its host tree ( Phoenix dactylifera). To develop an effective control against DPS in arid regions, it is essential to know its bio-ecology including population dynamics and climatic factors influencing the duration and timing of life history and also the densities of different phenological stages (crawlers, first and second instars nymphs, adult males, and adult females). Monitoring of biological cycle and population dynamics of the pest were achieved through weekly counts of DPS densities on leaflets sampled at different position of date palm trees in an oasis of Ouargla region (Algerian Sahara Desert). Within this hyper-arid region, DPS established four generations per year, the most important was the spring generation. Two overlapping generations occurred in spring-early summer and two in autumn-early winter; these two pairs of generations were interspersed by two phases of high-mortality rates, the first corresponds to winter cold and the second refers to the extreme heat of summer. Statistical analysis of the effects of the studied climatic conditions (minimum, maximum and mean temperatures, precipitation, humidity, wind, rain days, and climatic indices) on the DPS densities at different phenological stages showed great variability from one stage to another. Among these, adult females were the most affected by climate factors. For the total DPS population, high values of minimum temperatures negatively affected population density, while high maximum temperatures, hygrometry, and De Martonne aridity index showed a positive influence.

Modeling the effects of climate on date palm scale (Parlatoria blanchardi) population dynamics during different phenological stages of life history under hot arid conditions.

PubMed

Idder-Ighili, Hakima; Idder, Mohamed Azzedine; Doumandji-Mitiche, Bahia; Chenchouni, Haroun

2015-10-01

The date palm scale (DPS) Parlatoria blanchardi is a serious pest due to the damage it inflicts on its host tree (Phoenix dactylifera). To develop an effective control against DPS in arid regions, it is essential to know its bio-ecology including population dynamics and climatic factors influencing the duration and timing of life history and also the densities of different phenological stages (crawlers, first and second instars nymphs, adult males, and adult females). Monitoring of biological cycle and population dynamics of the pest were achieved through weekly counts of DPS densities on leaflets sampled at different position of date palm trees in an oasis of Ouargla region (Algerian Sahara Desert). Within this hyper-arid region, DPS established four generations per year, the most important was the spring generation. Two overlapping generations occurred in spring-early summer and two in autumn-early winter; these two pairs of generations were interspersed by two phases of high-mortality rates, the first corresponds to winter cold and the second refers to the extreme heat of summer. Statistical analysis of the effects of the studied climatic conditions (minimum, maximum and mean temperatures, precipitation, humidity, wind, rain days, and climatic indices) on the DPS densities at different phenological stages showed great variability from one stage to another. Among these, adult females were the most affected by climate factors. For the total DPS population, high values of minimum temperatures negatively affected population density, while high maximum temperatures, hygrometry, and De Martonne aridity index showed a positive influence.

Predictions of Crystal Structures from First Principles

DTIC Science & Technology

2007-06-01

RDX crystal in hoped that the problem could be resolved by the molecular dynamics simulations . The fully ab initio development of density functional... Molecular Dynamics Simulations of RDX i.e., without any use of experimental results (except that Crystal the geometry of monomers was derived from X-ray...applied in molecular dynamics simulations of the RDX system, due to its size, is intractable by any high-level ab crystal. We performed isothermal

Observation of number-density-dependent growth of plasmonic nanobubbles

NASA Astrophysics Data System (ADS)

Nakajima, Takashi; Wang, Xiaolong; Chatterjee, Souvik; Sakka, Tetsuo

2016-06-01

Interaction dynamics of laser pulses and nanoparticles are of great interest in recent years. In many cases, laser-nanoparticle interactions result in the formation of plasmonic nanobubbles, and the dynamics of nanoparticles and nanobubbles are inseparable. So far, very little attention has been paid to the number density. Here we report the first observation of number-density-dependent growth of plasmonic nanobubbles. Our results show that the nanobubbles growth depends (does not depend) on the number density at high (low) laser fluence, although the inter-particle distance in the solution is as long as 14-30 μm. This cannot be explained by the existing physical picture, and we propose a new model which takes into account the pressure waves arising from nanoparticles. The numerical results based on this model agree well with the experimental results. Our findings imply that the number density can be a new doorknob to control laser-nanobubble as well as laser-nanoparticle interactions.

Observation of number-density-dependent growth of plasmonic nanobubbles.

PubMed

Nakajima, Takashi; Wang, Xiaolong; Chatterjee, Souvik; Sakka, Tetsuo

2016-06-29

Interaction dynamics of laser pulses and nanoparticles are of great interest in recent years. In many cases, laser-nanoparticle interactions result in the formation of plasmonic nanobubbles, and the dynamics of nanoparticles and nanobubbles are inseparable. So far, very little attention has been paid to the number density. Here we report the first observation of number-density-dependent growth of plasmonic nanobubbles. Our results show that the nanobubbles growth depends (does not depend) on the number density at high (low) laser fluence, although the inter-particle distance in the solution is as long as 14-30 μm. This cannot be explained by the existing physical picture, and we propose a new model which takes into account the pressure waves arising from nanoparticles. The numerical results based on this model agree well with the experimental results. Our findings imply that the number density can be a new doorknob to control laser-nanobubble as well as laser-nanoparticle interactions.

High frequency, high temperature specific core loss and dynamic B-H hysteresis loop characteristics of soft magnetic alloys

NASA Technical Reports Server (NTRS)

Wieserman, W. R.; Schwarze, G. E.; Niedra, J. M.

1990-01-01

Limited experimental data exists for the specific core loss and dynamic B-H loops for soft magnetic materials for the combined conditions of high frequency and high temperature. This experimental study investigates the specific core loss and dynamic B-H loop characteristics of Supermalloy and Metglas 2605SC over the frequency range of 1 to 50 kHz and temperature range of 23 to 300 C under sinusoidal voltage excitation. The experimental setup used to conduct the investigation is described. The effects of the maximum magnetic flux density, frequency, and temperature on the specific core loss and on the size and shape of the B-H loops are examined.

Density of states and dynamical crossover in a dense fluid revealed by exponential mode analysis of the velocity autocorrelation function

NASA Astrophysics Data System (ADS)

Bellissima, S.; Neumann, M.; Guarini, E.; Bafile, U.; Barocchi, F.

2017-01-01

Extending a preceding study of the velocity autocorrelation function (VAF) in a simulated Lennard-Jones fluid [Phys. Rev. E 92, 042166 (2015), 10.1103/PhysRevE.92.042166] to cover higher-density and lower-temperature states, we show that the recently demonstrated multiexponential expansion method allows for a full account and understanding of the basic dynamical processes encompassed by a fundamental quantity as the VAF. In particular, besides obtaining evidence of a persisting long-time tail, we assign specific and unambiguous physical meanings to groups of exponential modes related to the longitudinal and transverse collective dynamics, respectively. We have made this possible by consistently introducing the interpretation of the VAF frequency spectrum as a global density of states in fluids, generalizing a solid-state concept, and by giving to specific spectral components, obtained through the VAF exponential expansion, the corresponding meaning of partial densities of states relative to specific dynamical processes. The clear identification of a high-frequency oscillation of the VAF with the near-top excitation frequency in the dispersion curve of acoustic waves is a neat example of the power of the method. As for the transverse mode contribution, its analysis turns out to be particularly important, because the multiexponential expansion reveals a transition marking the onset of propagating excitations when the density is increased beyond a threshold value. While this finding agrees with the recent literature debating the issue of dynamical crossover boundaries, such as the one identified with the Frenkel line, we can add detailed information on the modes involved in this specific process in the domains of both time and frequency. This will help obtain a still missing full account of transverse dynamics, in both its nonpropagating and propagating aspects which are linked through dynamical transitions depending on both the thermodynamic states and the excitation wave vectors.

Role of density modulation in the spatially resolved dynamics of strongly confined liquids

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

Saw, Shibu, E-mail: shibu.saw@sydney.edu.au; Dasgupta, Chandan, E-mail: cdgupta@physics.iisc.ernet.in

Confinement by walls usually produces a strong modulation in the density of dense liquids near the walls. Using molecular dynamics simulations, we examine the effects of the density modulation on the spatially resolved dynamics of a liquid confined between two parallel walls, using a resolution of a fraction of the interparticle distance in the liquid. The local dynamics is quantified by the relaxation time associated with the temporal autocorrelation function of the local density. We find that this local relaxation time varies in phase with the density modulation. The amplitude of the spatial modulation of the relaxation time can bemore » quite large, depending on the characteristics of the wall and thermodynamic parameters of the liquid. To disentangle the effects of confinement and density modulation on the spatially resolved dynamics, we compare the dynamics of a confined liquid with that of an unconfined one in which a similar density modulation is induced by an external potential. We find several differences indicating that density modulation alone cannot account for all the features seen in the spatially resolved dynamics of confined liquids. We also examine how the dynamics near a wall depends on the separation between the two walls and show that the features seen in our simulations persist in the limit of large wall separation.« less

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

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

Maitra, Neepa

2016-07-14

This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

Spatial interference patterns in the dynamics of a 2D Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Bera, Jayanta; Roy, Utpal

2018-05-01

Bose-Einstein condensate has become a highly tunable physical system, which is proven to mimic a number of interesting physical phenomena in condensed matter physics. We study the dynamics of a two-dimensional Bose Einstein condensate (BEC) in the presence of a flat harmonic confinement and time-dependent sharp potential peak. Condensate density can be meticulously controlled with time by tuning the physically relevant parameters: frequency of the harmonic trap, width of the peaks, frequency of their oscillations, initial density etc. By engineering various trap profile, we solve the system, numerically, and explore the resulting spatial interference patters.

Phase behavior of metastable liquid silicon at negative pressure: Ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Zhao, G.; Yu, Y. J.; Yan, J. L.; Ding, M. C.; Zhao, X. G.; Wang, H. Y.

2016-04-01

Extensive first-principle molecular dynamics simulations are performed to study the phase behavior of metastable liquid Si at negative pressure. Our results show that the high-density liquid (HDL) and HDL-vapor spinodals indeed form a continuous reentrant curve and the liquid-liquid critical point seems to just coincide with its minimum. The line of density maxima also has a strong tendency to pass through this minimum. The phase behaviour of metastable liquid Si therefore tends to be a critical-point-free scenario rather than a second-critical-point one based on SW potential.

Lattice dynamics and elasticity for ε-plutonium [First-principles lattice dynamics for ε-plutonium

DOE PAGES

Söderlind, Per

2017-04-25

Here, lattice dynamics and elasticity for the high-temperature ε phase (body-centered cubic; bcc) of plutonium is predicted utilizing first-principles electronic structure coupled with a self-consistent phonon method that takes phonon-phonon interaction and strong anharmonicity into account. These predictions establish the first sensible lattice-dynamics and elasticity data on ε-Pu. The atomic forces required for the phonon scheme are highly accurate and derived from the total energies obtained from relativistic and parameter-free density-functional theory. The results appear reasonable but no data exist to compare with except those from dynamical mean-field theory that suggest ε-plutonium is mechanically unstable. Fundamental knowledge and understanding ofmore » the high-temperature bcc phase, that is generally present in all actinide metals before melting, is critically important for a proper interpretation of the phase diagram as well as practical modeling of high-temperature properties.« less

General dynamical density functional theory for classical fluids.

PubMed

Goddard, Benjamin D; Nold, Andreas; Savva, Nikos; Pavliotis, Grigorios A; Kalliadasis, Serafim

2012-09-21

We study the dynamics of a colloidal fluid including inertia and hydrodynamic interactions, two effects which strongly influence the nonequilibrium properties of the system. We derive a general dynamical density functional theory which shows very good agreement with full Langevin dynamics. In suitable limits, we recover existing dynamical density functional theories and a Navier-Stokes-like equation with additional nonlocal terms.

Silicate melts density, buoyancy relations and the dynamics of magmatic processes in the upper mantle

NASA Astrophysics Data System (ADS)

Sanchez-Valle, Carmen; Malfait, Wim J.

2016-04-01

Although silicate melts comprise only a minor volume fraction of the present day Earth, they play a critical role on the Earth's geochemical and geodynamical evolution. Their physical properties, namely the density, are a key control on many magmatic processes, including magma chamber dynamics and volcanic eruptions, melt extraction from residual rocks during partial melting, as well as crystal settling and melt migration. However, the quantitative modeling of these processes has been long limited by the scarcity of data on the density and compressibility of volatile-bearing silicate melts at relevant pressure and temperature conditions. In the last decade, new experimental designs namely combining large volume presses and synchrotron-based techniques have opened the possibility for determining in situ the density of a wide range of dry and volatile-bearing (H2O and CO2) silicate melt compositions at high pressure-high temperature conditions. In this contribution we will illustrate some of these progresses with focus on recent results on the density of dry and hydrous felsic and intermediate melt compositions (rhyolite, phonolite and andesite melts) at crustal and upper mantle conditions (up to 4 GPa and 2000 K). The new data on felsic-intermediate melts has been combined with in situ data on (ultra)mafic systems and ambient pressure dilatometry and sound velocity data to calibrate a continuous, predictive density model for hydrous and CO2-bearing silicate melts with applications to magmatic processes down to the conditions of the mantle transition zone (up to 2773 K and 22 GPa). The calibration dataset consist of more than 370 density measurements on high-pressure and/or water-and CO2-bearing melts and it is formulated in terms of the partial molar properties of the oxide components. The model predicts the density of volatile-bearing liquids to within 42 kg/m3 in the calibration interval and the model extrapolations up to 3000 K and 100 GPa are in good agreement with results from ab initio calculations. The density model has been applied to examine the mineral-melt buoyancy relations at depth and the implications of these results for the dynamics of magma chambers, crystal settling and the stability and mobility of magmas in the upper mantle will be discussed.

Genetic and Dynamic Analyses of Murine Peak Bone Density

DTIC Science & Technology

1999-10-01

DAMD17-96-1-6309 differences, the location of bone regulatory genes with strong and modifier effects , the mode of inheritance for each gene, the...estimate the cortical cross-sectional area, most likely due to partial volume effects . Thus, the high density bone area was consistently estimated to be...significant or highly significant linkage with BMD; b) 9 Beamer, WG DAMD17-96-1-6309 none of the loci exhibited significant interaction effects by ANOVA

Acoustic Performance of Resilient Materials Using Acrylic Polymer Emulsion Resin.

PubMed

Kim, Haseog; Park, Sangki; Lee, Seahyun

2016-07-19

There have been frequent cases of civil complaints and disputes in relation to floor impact noises over the years. To solve these issues, a substantial amount of sound resilient material is installed between the concrete slab and the foamed concrete during construction. A new place-type resilient material is made from cement, silica powder, sodium sulfate, expanded-polystyrene, anhydrite, fly ash, and acrylic polymer emulsion resin. Its physical characteristics such as density, compressive strength, dynamic stiffness, and remanent strain are analyzed to assess the acoustic performance of the material. The experimental results showed the density and the dynamic stiffness of the proposed resilient material is increased with proportional to the use of cement and silica powder due to the high contents of the raw materials. The remanent strain, related to the serviceability of a structure, is found to be inversely proportional to the density and strength. The amount of reduction in the heavyweight impact noise is significant in a material with high density, high strength, and low remanent strain. Finally, specimen no. R4, having the reduction level of 3 dB for impact ball and 1 dB for bang machine in the single number quantity level, respectively, is the best product to obtain overall acoustic performance.

Acoustic Performance of Resilient Materials Using Acrylic Polymer Emulsion Resin

PubMed Central

Kim, Haseog; Park, Sangki; Lee, Seahyun

2016-01-01

There have been frequent cases of civil complaints and disputes in relation to floor impact noises over the years. To solve these issues, a substantial amount of sound resilient material is installed between the concrete slab and the foamed concrete during construction. A new place-type resilient material is made from cement, silica powder, sodium sulfate, expanded-polystyrene, anhydrite, fly ash, and acrylic polymer emulsion resin. Its physical characteristics such as density, compressive strength, dynamic stiffness, and remanent strain are analyzed to assess the acoustic performance of the material. The experimental results showed the density and the dynamic stiffness of the proposed resilient material is increased with proportional to the use of cement and silica powder due to the high contents of the raw materials. The remanent strain, related to the serviceability of a structure, is found to be inversely proportional to the density and strength. The amount of reduction in the heavyweight impact noise is significant in a material with high density, high strength, and low remanent strain. Finally, specimen no. R4, having the reduction level of 3 dB for impact ball and 1 dB for bang machine in the single number quantity level, respectively, is the best product to obtain overall acoustic performance. PMID:28773711

A model of lipid-free Apolipoprotein A-I revealed by iterative molecular dynamics simulation

DOE PAGES

Zhang, Xing; Lei, Dongsheng; Zhang, Lei; ...

2015-03-20

Apolipoprotein A-I (apo A-I), the major protein component of high-density lipoprotein, has been proven inversely correlated to cardiovascular risk in past decades. The lipid-free state of apo A-I is the initial stage which binds to lipids forming high-density lipoprotein. Molecular models of lipid-free apo A-I have been reported by methods like X-ray crystallography and chemical cross-linking/mass spectrometry (CCL/MS). Through structural analysis we found that those current models had limited consistency with other experimental results, such as those from hydrogen exchange with mass spectrometry. Through molecular dynamics simulations, we also found those models could not reach a stable equilibrium state. Therefore,more » by integrating various experimental results, we proposed a new structural model for lipidfree apo A-I, which contains a bundled four-helix N-terminal domain (1–192) that forms a variable hydrophobic groove and a mobile short hairpin C-terminal domain (193–243). This model exhibits an equilibrium state through molecular dynamics simulation and is consistent with most of the experimental results known from CCL/MS on lysine pairs, fluorescence resonance energy transfer and hydrogen exchange. This solution-state lipid-free apo A-I model may elucidate the possible conformational transitions of apo A-I binding with lipids in high-density lipoprotein formation.« less

Carrier-density-dependent recombination dynamics of excitons and electron-hole plasma in m -plane InGaN/GaN quantum wells

NASA Astrophysics Data System (ADS)

Liu, W.; Butté, R.; Dussaigne, A.; Grandjean, N.; Deveaud, B.; Jacopin, G.

2016-11-01

We study the carrier-density-dependent recombination dynamics in m -plane InGaN/GaN multiple quantum wells in the presence of n -type background doping by time-resolved photoluminescence. Based on Fermi's golden rule and Saha's equation, we decompose the radiative recombination channel into an excitonic and an electron-hole pair contribution, and extract the injected carrier-density-dependent bimolecular recombination coefficients. Contrary to the standard electron-hole picture, our results confirm the strong influence of excitons even at room temperature. Indeed, at 300 K, excitons represent up to 63 ± 6% of the photoexcited carriers. In addition, following the Shockley-Read-Hall model, we extract the electron and hole capture rates by deep levels and demonstrate that the increase in the effective lifetime with injected carrier density is due to asymmetric capture rates in presence of an n -type background doping. Thanks to the proper determination of the density-dependent recombination coefficients up to high injection densities, our method provides a way to evaluate the importance of Auger recombination.

Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions

NASA Astrophysics Data System (ADS)

Bordin, José Rafael

2018-04-01

In this paper we explore the self-assembly patterns in a two dimensional colloidal system using extensive Langevin Dynamics simulations. The pair potential proposed to model the competitive interaction have a short range length scale between first neighbors and a second characteristic length scale between third neighbors. We investigate how the temperature and colloidal density will affect the assembled morphologies. The potential shows aggregate patterns similar to observed in previous works, as clusters, stripes and porous phase. Nevertheless, we observe at high densities and temperatures a porous mesophase with a high mobility, which we name fluid porous phase, while at lower temperatures the porous structure is rigid. triangular packing was observed for the colloids and pores in both solid and fluid porous phases. Our results show that the porous structure is well defined for a large range of temperature and density, and that the fluid porous phase is a consequence of the competitive interaction and the random forces from the Langevin Dynamics.

Current-driven dynamics of skyrmions stabilized in MnSi nanowires revealed by topological Hall effect

PubMed Central

Liang, Dong; DeGrave, John P.; Stolt, Matthew J.; Tokura, Yoshinori; Jin, Song

2015-01-01

Skyrmions hold promise for next-generation magnetic storage as their nanoscale dimensions may enable high information storage density and their low threshold for current-driven motion may enable ultra-low energy consumption. Skyrmion-hosting nanowires not only serve as a natural platform for magnetic racetrack memory devices but also stabilize skyrmions. Here we use the topological Hall effect (THE) to study phase stability and current-driven dynamics of skyrmions in MnSi nanowires. THE is observed in an extended magnetic field-temperature window (15–30 K), suggesting stabilization of skyrmions in nanowires compared with the bulk. Furthermore, we show in nanowires that under the high current density of 108–109 A m−2, the THE decreases with increasing current densities, which demonstrates the current-driven motion of skyrmions generating the emergent electric field in the extended skyrmion phase region. These results open up the exploration of skyrmions in nanowires for fundamental physics and magnetic storage technologies. PMID:26400204

Immigration Rates during Population Density Reduction in a Coral Reef Fish

PubMed Central

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

Temporal dynamics of Puumala hantavirus infection in cyclic populations of bank voles.

PubMed

Voutilainen, Liina; Kallio, Eva R; Niemimaa, Jukka; Vapalahti, Olli; Henttonen, Heikki

2016-02-18

Understanding the dynamics of zoonotic pathogens in their reservoir host populations is a prerequisite for predicting and preventing human disease epidemics. The human infection risk of Puumala hantavirus (PUUV) is highest in northern Europe, where populations of the rodent host (bank vole, Myodes glareolus) undergo cyclic fluctuations. We conducted a 7-year capture-mark-recapture study to monitor seasonal and multiannual patterns of the PUUV infection rate in bank vole populations exhibiting a 3-year density cycle. Infected bank voles were most abundant in mid-winter months during years of increasing or peak host density. Prevalence of PUUV infection in bank voles exhibited a regular, seasonal pattern reflecting the annual population turnover and accumulation of infections within each year cohort. In autumn, the PUUV transmission rate tracked increasing host abundance, suggesting a density-dependent transmission. However, prevalence of PUUV infection was similar during the increase and peak years of the density cycle despite a twofold difference in host density. This may result from the high proportion of individuals carrying maternal antibodies constraining transmission during the cycle peak years. Our exceptionally intensive and long-term dataset provides a solid basis on which to develop models to predict the dynamic public health threat posed by PUUV in northern Europe.

Mode-coupling theory for active Brownian particles

NASA Astrophysics Data System (ADS)

Liluashvili, Alexander; Ónody, Jonathan; Voigtmann, Thomas

2017-12-01

We present a mode-coupling theory (MCT) for the slow dynamics of two-dimensional spherical active Brownian particles (ABPs). The ABPs are characterized by a self-propulsion velocity v0 and by their translational and rotational diffusion coefficients Dt and Dr, respectively. Based on the integration-through-transients formalism, the theory requires as input only the equilibrium static structure factors of the passive system (where v0=0 ). It predicts a nontrivial idealized-glass-transition diagram in the three-dimensional parameter space of density, self-propulsion velocity, and rotational diffusivity that arise because at high densities, the persistence length of active swimming ℓp=v0/Dr interferes with the interaction length ℓc set by the caging of particles. While the low-density dynamics of ABPs is characterized by a single Péclet number Pe=v02/DrDt , close to the glass transition the dynamics is found to depend on Pe and ℓp separately. At fixed density, increasing the self-propulsion velocity causes structural relaxation to speed up, while decreasing the persistence length slows down the relaxation. The active-MCT glass is a nonergodic state that is qualitatively different from the passive glass. In it, correlations of initial density fluctuations never fully decay, but also an infinite memory of initial orientational fluctuations is retained in the positions.

Fluid dynamic propagation of initial baryon number perturbations on a Bjorken flow background

DOE PAGES

Floerchinger, Stefan; Martinez, Mauricio

2015-12-11

Baryon number density perturbations offer a possible route to experimentally measure baryon number susceptibilities and heat conductivity of the quark gluon plasma. We study the fluid dynamical evolution of local and event-by-event fluctuations of baryon number density, flow velocity, and energy density on top of a (generalized) Bjorken expansion. To that end we use a background-fluctuation splitting and a Bessel-Fourier decomposition for the fluctuating part of the fluid dynamical fields with respect to the azimuthal angle, the radius in the transverse plane, and rapidity. Here, we examine how the time evolution of linear perturbations depends on the equation of statemore » as well as on shear viscosity, bulk viscosity, and heat conductivity for modes with different azimuthal, radial, and rapidity wave numbers. Finally we discuss how this information is accessible to experiments in terms of the transverse and rapidity dependence of correlation functions for baryonic particles in high energy nuclear collisions.« less

Lattice dynamics in elemental modulated Sb 2 Te 3 films: Lattice dynamics in elemental modulated Sb 2 Te 3 films

DOE PAGES

Bessas, D.; Winkler, M.; Sergueev, I.; ...

2015-09-03

We investigate the crystallinity and the lattice dynamics in elemental modulated Sbinline imageTeinline image films microscopically using high energy synchrotron radiation diffraction combined with inline imageSb nuclear inelastic scattering. The correlation length is found to be finite but less than 100 . Moreover, the element specific density of phonon states is extracted. A comparison with the element specific density of phonon states in bulk Sbinline imageTeinline image confirms that the main features in the density of phonon states arise from the layered structure. The average speed of sound at inline image inline image, is almost the same compared to bulkmore » Sbinline imageTeinline image at inline image, inline image. Similarly, the change in the acoustic cut-off energy is within the experimental detection limit. Therefore, we suggest that the lattice thermal conductivity in elemental modulated Sbinline imageTeinline image films should not be significantly changed from its bulk value.« less

Quantification of phytoplankton bloom dynamics by citizen scientists in urban and peri-urban environments.

PubMed

Castilla, Eva Pintado; Cunha, Davi Gasparini Fernandes; Lee, Fred Wang Fat; Loiselle, Steven; Ho, Kin Chung; Hall, Charlotte

2015-11-01

Freshwater ecosystems are severely threatened by urban development and agricultural intensification. Increased occurrence of algal blooms is a main issue, and the identification of local dynamics and drivers is hampered by a lack of field data. In this study, data from 13 cities (250 water bodies) were used to examine the capacity of trained community members to assess elevated phytoplankton densities in urban and peri-urban freshwater ecosystems. Coincident nutrient concentrations and land use observations were used to examine possible drivers of algal blooms. Measurements made by participants showed a good relationship to standard laboratory measurements of phytoplankton density, in particular in pond and lake ecosystems. Links between high phytoplankton density and nutrients (mainly phosphate) were observed. Microscale observations of pollution sources and catchment scale estimates of land cover both influenced the occurrence of algal blooms. The acquisition of environmental data by committed and trained community members represents a major opportunity to support agency monitoring programmes and to complement field campaigns in the study of catchment dynamics.

Plane wave density functional molecular dynamics study of exothermic reactions of Al/CuO thermites

NASA Astrophysics Data System (ADS)

Oloriegbe, Suleiman; Sewell, Thomas; Chen, Zhen; Jiang, Shan; Gan, Yong

2014-03-01

Exothermic reactions between nanosize aluminum (Al) and copper oxide (CuO) structures are of current interest because of their high reaction enthalpy and energy density which exceed those of traditional monomolecular energetic compounds such as TNT, RDX, and HMX. In this work, molecular dynamics simulations with forces obtained from plane wave density functional theory are used to investigate the atomic-scale and electronic processes that occur during the fast thermite reactions between Al and CuO nanostructures under adiabatic conditions. Aluminum surfaces in contact with O-exposed and Cu-exposed CuO surfaces are studied. Starting from initial temperature T = 800 K, we have observed: faster chemical reaction at the oxygen-rich interface during the initial 0.5 ps, linear temperature rise, and fast oxygen diffusion into the Al region with the rate 1.87 X 10-3 cm2/s. The density-derived electrostatic and chemical method is used to evaluate the net atomic charges and charge transfer during the important redox processes. High charge density around the oxygen-exposed interface may be responsible for the faster initial reactions at that interface. The overall reaction rate, determined using the time evolution of Cu-O charge orbital overlap population, is approximately first order.

Impact of food supplementation and methionine on high densities of cotton rats: Support of the amino-acid-quality hypothesis?

USGS Publications Warehouse

Webb, R.E.; Leslie, David M.; Lochmiller, R.L.; Masters, R.E.

2005-01-01

Considerable research supports the tenet that quantity and quality of food limit vertebrate populations. We evaluated predictions that increased availabilities of food and the essential amino acid methionine were related to population limitation of the hispid cotton rat (Sigmodon hispidus). Effects of supplemental food and methionine on density, survival, and reproductive parameters of wild cotton rats were assessed in north-central Oklahoma in 1998-1999. Twelve enclosed groups of 16 adult cotton rats each (8 male, 8 female) were randomly assigned to either no supplementation (control), supplementation with a mixed ration that had methionine at slightly below maintenance levels (0.20%), or a methionine-enhanced mixed ration (1.20%). In general, densities of cotton rats were twice as high and were sustained longer with dietary supplementation, and methionine-supplemented populations maintained the highest densities. Treatment effects on survival depended on time of year, with higher survival in supplemented enclosures in October and November. Per capita recruitment was highest with methionine-enhanced food. Treatment effects on proportions of overall and female cotton rats in reproductive condition depended on sampling date, but males were most reproductively active with methionine supplementation. Methionine supplementation resulted in an earlier and longer reproductive season. Density-dependent and density-independent factors no doubt interplay to determine population dynamics of cotton rats, but our results suggest that methionine plays a role in the population dynamics of wild cotton rats, apparently by enhancing overall density, recruitment, and reproductive activity of males.

Exploring the universe through discovery science on NIF

NASA Astrophysics Data System (ADS)

Remington, Bruce

2016-10-01

New regimes of science are being experimentally studied at high energy density facilities around the world, spanning drive energies from microjoules to megajoules, and time scales from femtoseconds to microseconds. The ability to shock and ramp compress samples to very high pressures and densities allows new states of matter relevant to planetary and stellar interiors to be studied. Shock driven hydrodynamic instabilities evolving into turbulent flows relevant to the dynamics of exploding stars (such as supernovae), accreting compact objects (such as white dwarfs, neutron stars, and black holes), and planetary formation dynamics are being probed. The dynamics of magnetized plasmas relevant to astrophysics, both in collisional and collisionless systems, are starting to be studied. High temperature, high velocity interacting flows are being probed for evidence of astrophysical collisionless shock formation, the turbulent magnetic dynamo effect, magnetic reconnection, and particle acceleration. And new results from thermonuclear reactions in hot dense plasmas relevant to stellar and big bang nucleosynthesis are starting to emerge. A selection of examples providing a compelling vision for frontier science on NIF in the coming decade will be presented. This work was performed under the auspices of U.S. DOE by LLNL under Contract DE-AC52-07NA27344.

Exploring the universe through Discovery Science on NIF

NASA Astrophysics Data System (ADS)

Remington, Bruce

2017-10-01

New regimes of science are being experimentally studied at high energy density facilities around the world, spanning drive energies from microjoules to megajoules, and time scales from femtoseconds to microseconds. The ability to shock and ramp compress samples to very high pressures and densities allows new states of matter relevant to planetary and stellar interiors to be studied. Shock driven hydrodynamic instabilities evolving into turbulent flows relevant to the dynamics of exploding stars (such as supernovae), accreting compact objects (such as white dwarfs, neutron stars, and black holes), and planetary formation dynamics (relevant to the exoplanets) are being probed. The dynamics of magnetized plasmas relevant to astrophysics, both in collisional and collisionless systems, are starting to be studied. High temperature, high velocity interacting flows are being probed for evidence of astrophysical collisionless shock formation, the turbulent magnetic dynamo effect, magnetic reconnection, and particle acceleration. And new results from thermonuclear reactions in hot dense plasmas relevant to stellar and big bang nucleosynthesis are starting to emerge. A selection of examples of frontier research through NIF Discovery Science in the coming decade will be presented. This work was performed under the auspices of U.S. DOE by LLNL under Contract DE-AC52-07NA27344.

Dielectric properties of organic solvents from non-polarizable molecular dynamics simulation with electronic continuum model and density functional theory.

PubMed

Lee, Sanghun; Park, Sung Soo

2011-11-03

Dielectric constants of electrolytic organic solvents are calculated employing nonpolarizable Molecular Dynamics simulation with Electronic Continuum (MDEC) model and Density Functional Theory. The molecular polarizabilities are obtained by the B3LYP/6-311++G(d,p) level of theory to estimate high-frequency refractive indices while the densities and dipole moment fluctuations are computed using nonpolarizable MD simulations. The dielectric constants reproduced from these procedures are evaluated to provide a reliable approach for estimating the experimental data. An additional feature, two representative solvents which have similar molecular weights but are different dielectric properties, i.e., ethyl methyl carbonate and propylene carbonate, are compared using MD simulations and the distinctly different dielectric behaviors are observed at short times as well as at long times.

Structure and Entanglement Factors on Dynamics of Polymer-Grafted Nanoparticles

DOE PAGES

Liu, Siqi; Senses, Erkan; Jiao, Yang; ...

2016-04-15

Nanoparticles functionalized with long polymer chains at low graft density are interesting systems to study structure–dynamic relationships in polymer nanocomposites since they are shown to aggregate into strings in both solution and melts and also into spheres and branched aggregates in the presence of free polymer chains. Our work investigates structure and entanglement effects in composites of polystyrene-grafted iron oxide nanoparticles by measuring particle relaxations using X-ray photon correlation spectroscopy. And for particles within highly ordered strings and aggregated systems, they experience a dynamically heterogeneous environment displaying hyperdiffusive relaxation commonly observed in jammed soft glassy systems. Furthermore, particle dynamics ismore » diffusive for branched aggregated structures which could be caused by less penetration of long matrix chains into brushes. These results suggest that particle motion is dictated by the strong interactions of chains grafted at low density with the host matrix polymer.« less

Nonlinear dynamics of trions under strong optical excitation in monolayer MoSe2.

PubMed

Ye, Jialiang; Yan, Tengfei; Niu, Binghui; Li, Ying; Zhang, Xinhui

2018-02-05

By employing ultrafast transient reflection measurements based on two-color pump-probe spectroscopy, the population and valley polarization dynamics of trions in monolayer MoSe 2 were investigated at relatively high excitation densities under near-resonant excitation. Both the nonlinear dynamic photobleaching of the trion resonance and the redshift of the exciton resonance were found to be responsible for the excitation-energy- and density-dependent transient reflection change as a result of many-body interactions. Furthermore, from the polarization-resolved measurements, it was revealed that the initial fast population and polarization decay process upon strong photoexcitation observed for trions was determined by trion formation, transient phase-space filling and the short valley lifetime of excitons. The results provide a basic understanding of the nonlinear dynamics of population and valley depolarization of trions, as well as exciton-trion correlation in atomically thin MoSe 2 and other transition metal dichalcogenide materials.

Enhanced charging kinetics of porous electrodes: surface conduction as a short-circuit mechanism.

PubMed

Mirzadeh, Mohammad; Gibou, Frederic; Squires, Todd M

2014-08-29

We use direct numerical simulations of the Poisson-Nernst-Planck equations to study the charging kinetics of porous electrodes and to evaluate the predictive capabilities of effective circuit models, both linear and nonlinear. The classic transmission line theory of de Levie holds for general electrode morphologies, but only at low applied potentials. Charging dynamics are slowed appreciably at high potentials, yet not as significantly as predicted by the nonlinear transmission line model of Biesheuvel and Bazant. We identify surface conduction as a mechanism which can effectively "short circuit" the high-resistance electrolyte in the bulk of the pores, thus accelerating the charging dynamics and boosting power densities. Notably, the boost in power density holds only for electrode morphologies with continuous conducting surfaces in the charging direction.

Study of system-size effects on the emergent magnetic monopoles and Dirac strings in artificial kagome spin ice

NASA Astrophysics Data System (ADS)

Leon, Alejandro

2012-02-01

In this work we study the dynamical properties of a finite array of nanomagnets in artificial kagome spin ice at room temperature. The dynamic response of the array of nanomagnets is studied by implementing a ``frustrated celular aut'omata'' (FCA), based in the charge model. In this model, each dipole is replaced by a dumbbell of two opposite charges, which are situated at the neighbouring vertices of the honeycomb lattice. The FCA simulations, allow us to study in real-time and deterministic way, the dynamic of the system, with minimal computational resource. The update function is defined according to the coordination number of vertices in the system. Our results show that for a set geometric parameters of the array of nanomagnets, the system exhibits high density of Dirac strings and high density emergent magnetic monopoles. A study of the effect of disorder in the arrangement of nanomagnets is incorporated in this work.

Double Trouble at High Density: Cross-Level Test of Resource-Related Adaptive Plasticity and Crowding-Related Fitness

PubMed Central

Gergs, André; Preuss, Thomas G.; Palmqvist, Annemette

2014-01-01

Population size is often regulated by negative feedback between population density and individual fitness. At high population densities, animals run into double trouble: they might concurrently suffer from overexploitation of resources and also from negative interference among individuals regardless of resource availability, referred to as crowding. Animals are able to adapt to resource shortages by exhibiting a repertoire of life history and physiological plasticities. In addition to resource-related plasticity, crowding might lead to reduced fitness, with consequences for individual life history. We explored how different mechanisms behind resource-related plasticity and crowding-related fitness act independently or together, using the water flea Daphnia magna as a case study. For testing hypotheses related to mechanisms of plasticity and crowding stress across different biological levels, we used an individual-based population model that is based on dynamic energy budget theory. Each of the hypotheses, represented by a sub-model, is based on specific assumptions on how the uptake and allocation of energy are altered under conditions of resource shortage or crowding. For cross-level testing of different hypotheses, we explored how well the sub-models fit individual level data and also how well they predict population dynamics under different conditions of resource availability. Only operating resource-related and crowding-related hypotheses together enabled accurate model predictions of D. magna population dynamics and size structure. Whereas this study showed that various mechanisms might play a role in the negative feedback between population density and individual life history, it also indicated that different density levels might instigate the onset of the different mechanisms. This study provides an example of how the integration of dynamic energy budget theory and individual-based modelling can facilitate the exploration of mechanisms behind the regulation of population size. Such understanding is important for assessment, management and the conservation of populations and thereby biodiversity in ecosystems. PMID:24626228

Measurements of trap dynamics of cold OH molecules using resonance-enhanced multiphoton ionization

NASA Astrophysics Data System (ADS)

Gray, John M.; Bossert, Jason A.; Shyur, Yomay; Lewandowski, H. J.

2017-08-01

Trapping cold, chemically important molecules with electromagnetic fields is a useful technique to study small molecules and their interactions. Traps provide long interaction times, which are needed to precisely examine these low-density molecular samples. However, the trapping fields lead to nonuniform molecular density distributions in these systems. Therefore, it is important to be able to experimentally characterize the spatial density distribution in the trap. Ionizing molecules at different locations in the trap using resonance-enhanced multiphoton ionization (REMPI) and detecting the resulting ions can be used to probe the density distribution even at the low density present in these experiments because of the extremely high efficiency of detection. Until recently, one of the most chemically important molecules, OH, did not have a convenient REMPI scheme identified. Here, we use a newly developed 1 +1' REMPI scheme to detect trapped cold OH molecules. We use this capability to measure the trap dynamics of the central density of the cloud and the density distribution. These types of measurements can be used to optimize loading of molecules into traps, as well as to help characterize the energy distribution, which is critical knowledge for interpreting molecular collision experiments.

Density-dependent effects of omnivorous stream crayfish on benthic trophic dynamics

USGS Publications Warehouse

Ludlam, J.P.; Banks, B. T.; Magoulick, Daniel D.

2015-01-01

Crayfish are abundant and important consumers in aquatic food webs and crayfish invasions have demonstrated strong effects of crayfish on multiple trophic levels. Density may be an important factor determining the role of omnivorous crayfish in benthic communities, especially if density alters the strength of trophic interactions. The effect of crayfish density on a simple benthic food web using ceramic tiles was examined in three treatments (crayfish exclusion cage, cage control (open to crayfish), and exposed ceramic tiles) in mesocosms stocked with 6, 12, or 18 crayfish·m-2. We hypothesized that at low densities crayfish consumption of herbivorous chironomids would increase algal abundance, but at high densities crayfish would reduce both periphyton and invertebrates. In the experiment, periphyton and chironomid abundance increased with declining crayfish biomass on day 30 but not day 15. The magnitude of crayfish effects on day 15 periphyton chlorophyll a abundance increased with crayfish biomass, but crayfish effects on day 30 periphyton chlorophyll a or chironomid biomass did not increase with crayfish biomass. In this experiment there was little evidence for a trophic cascade at low crayfish densities and strong omnivory by crayfish dominated trophic dynamics.

Allee effects and the spatial dynamics of a locally endangered butterfly, the high brown fritillary (Argynnis adippe).

PubMed

Bonsall, Michael B; Dooley, Claire A; Kasparson, Anna; Brereton, Tom; Roy, David B; Thomas, Jeremy A

2014-01-01

Conservation of endangered species necessitates a full appreciation of the ecological processes affecting the regulation, limitation, and persistence of populations. These processes are influenced by birth, death, and dispersal events, and characterizing them requires careful accounting of both the deterministic and stochastic processes operating at both local and regional population levels. We combined ecological theory and observations on Allee effects by linking mathematical analysis and the spatial and temporal population dynamics patterns of a highly endangered butterfly, the high brown fritillary, Argynnis adippe. Our theoretical analysis showed that the role of density-dependent feedbacks in the presence of local immigration can influence the strength of Allee effects. Linking this theory to the analysis of the population data revealed strong evidence for both negative density dependence and Allee effects at the landscape or regional scale. These regional dynamics are predicted to be highly influenced by immigration. Using a Bayesian state-space approach, we characterized the local-scale births, deaths, and dispersal effects together with measurement and process uncertainty in the metapopulation. Some form of an Allee effect influenced almost three-quarters of these local populations. Our joint analysis of the deterministic and stochastic dynamics suggests that a conservation priority for this species would be to increase resource availability in currently occupied and, more importantly, in unoccupied sites.

Advanced Packaging Materials and Techniques for High Power TR Module: Standard Flight vs. Advanced Packaging

NASA Technical Reports Server (NTRS)

Hoffman, James Patrick; Del Castillo, Linda; Miller, Jennifer; Jenabi, Masud; Hunter, Donald; Birur, Gajanana

2011-01-01

The higher output power densities required of modern radar architectures, such as the proposed DESDynI [Deformation, Ecosystem Structure, and Dynamics of Ice] SAR [Synthetic Aperture Radar] Instrument (or DSI) require increasingly dense high power electronics. To enable these higher power densities, while maintaining or even improving hardware reliability, requires advances in integrating advanced thermal packaging technologies into radar transmit/receive (TR) modules. New materials and techniques have been studied and compared to standard technologies.

Modeling fish community dynamics in Florida Everglades: Role of temperature variation

USGS Publications Warehouse

Al-Rabai'ah, H. A.; Koh, H. L.; DeAngelis, Donald L.; Lee, Hooi-Ling

2002-01-01

The model shows that the temperature dependent starvation mortality is an important factor that influences fish population densities. It also shows high fish population densities at some temperature ranges when this consumption need is minimum. Several sensitivity analyses involving variations in temperature terms, food resources and water levels are conducted to ascertain the relative importance of temperature dependence terms.

Cytoskeletal Components Define Protein Location to Membrane Microdomains*

PubMed Central

Szymanski, Witold G.; Zauber, Henrik; Erban, Alexander; Gorka, Michal; Wu, Xu Na; Schulze, Waltraud X.

2015-01-01

The plasma membrane is an important compartment that undergoes dynamic changes in composition upon external or internal stimuli. The dynamic subcompartmentation of proteins in ordered low-density (DRM) and disordered high-density (DSM) membrane phases is hypothesized to require interactions with cytoskeletal components. Here, we systematically analyzed the effects of actin or tubulin disruption on the distribution of proteins between membrane density phases. We used a proteomic screen to identify candidate proteins with altered submembrane location, followed by biochemical or cell biological characterization in Arabidopsis thaliana. We found that several proteins, such as plasma membrane ATPases, receptor kinases, or remorins resulted in a differential distribution between membrane density phases upon cytoskeletal disruption. Moreover, in most cases, contrasting effects were observed: Disruption of actin filaments largely led to a redistribution of proteins from DRM to DSM membrane fractions while disruption of tubulins resulted in general depletion of proteins from the membranes. We conclude that actin filaments are necessary for dynamic movement of proteins between different membrane phases and that microtubules are not necessarily important for formation of microdomains as such, but rather they may control the protein amount present in the membrane phases. PMID:26091700

Effect of Printing Parameters on Tensile, Dynamic Mechanical, and Thermoelectric Properties of FDM 3D Printed CABS/ZnO Composites.

PubMed

Aw, Yah Yun; Yeoh, Cheow Keat; Idris, Muhammad Asri; Teh, Pei Leng; Hamzah, Khairul Amali; Sazali, Shulizawati Aqzna

2018-03-22

Fused deposition modelling (FDM) has been widely used in medical appliances, automobile, aircraft and aerospace, household appliances, toys, and many other fields. The ease of processing, low cost and high flexibility of FDM technique are strong advantages compared to other techniques for thermoelectric polymer composite fabrication. This research work focuses on the effect of two crucial printing parameters (infill density and printing pattern) on the tensile, dynamic mechanical, and thermoelectric properties of conductive acrylonitrile butadiene styrene/zinc oxide (CABS/ZnO composites fabricated by FDM technique. Results revealed significant improvement in tensile strength and Young's modulus, with a decrease in elongation at break with infill density. Improvement in dynamic storage modulus was observed when infill density changed from 50% to 100%. However, the loss modulus and damping factor reduced gradually. The increase of thermal conductivity was relatively smaller compared to the improvement of electrical conductivity and Seebeck coefficient, therefore, the calculated figure of merit (ZT) value increased with infill density. Line pattern performed better than rectilinear, especially in tensile properties and electrical conductivity. From the results obtained, FDM-fabricated CABS/ZnO showed much potential as a promising candidate for thermoelectric application .

Intermediate scale plasma density irregularities in the polar ionosphere inferred from radio occultation

NASA Astrophysics Data System (ADS)

Shume, E. B.; Komjathy, A.; Langley, R. B.; Verkhoglyadova, O. P.; Butala, M.; Mannucci, A. J.

2014-12-01

In this research, we report intermediate scale plasma density irregularities in the high-latitude ionosphere inferred from high-resolution radio occultation (RO) measurements in the CASSIOPE (CAScade Smallsat and IOnospheric Polar Explorer) - GPS (Global Positioning System) satellites radio link. The high inclination of the CASSIOPE satellite and high rate of signal receptionby the occultation antenna of the GPS Attitude, Positioning and Profiling (GAP) instrument on the Enhanced Polar Outflow Probe platform on CASSIOPE enable a high temporal and spatial resolution investigation of the dynamics of the polar ionosphere, magnetosphere-ionospherecoupling, solar wind effects, etc. with unprecedented details compared to that possible in the past. We have carried out high spatial resolution analysis in altitude and geomagnetic latitude of scintillation-producing plasma density irregularities in the polar ionosphere. Intermediate scale, scintillation-producing plasma density irregularities, which corresponds to 2 to 40 km spatial scales were inferred by applying multi-scale spectral analysis on the RO phase delay measurements. Using our multi-scale spectral analysis approach and Polar Operational Environmental Satellites (POES) and Defense Meteorological Satellite Program (DMSP) observations, we infer that the irregularity scales and phase scintillations have distinct features in the auroral oval and polar cap regions. In specific terms, we found that large length scales and and more intense phase scintillations are prevalent in the auroral oval compared to the polar cap region. Hence, the irregularity scales and phase scintillation characteristics are a function of the solar wind and the magnetospheric forcing. Multi-scale analysis may become a powerful diagnostic tool for characterizing how the ionosphere is dynamically driven by these factors.

Linear and nonlinear instability in vertical counter-current laminar gas-liquid flows

NASA Astrophysics Data System (ADS)

Schmidt, Patrick; Ó Náraigh, Lennon; Lucquiaud, Mathieu; Valluri, Prashant

2016-04-01

We consider the genesis and dynamics of interfacial instability in vertical gas-liquid flows, using as a model the two-dimensional channel flow of a thin falling film sheared by counter-current gas. The methodology is linear stability theory (Orr-Sommerfeld analysis) together with direct numerical simulation of the two-phase flow in the case of nonlinear disturbances. We investigate the influence of two main flow parameters on the interfacial dynamics, namely the film thickness and pressure drop applied to drive the gas stream. To make contact with existing studies in the literature, the effect of various density contrasts is also examined. Energy budget analyses based on the Orr-Sommerfeld theory reveal various coexisting unstable modes (interfacial, shear, internal) in the case of high density contrasts, which results in mode coalescence and mode competition, but only one dynamically relevant unstable interfacial mode for low density contrast. A study of absolute and convective instability for low density contrast shows that the system is absolutely unstable for all but two narrow regions of the investigated parameter space. Direct numerical simulations of the same system (low density contrast) show that linear theory holds up remarkably well upon the onset of large-amplitude waves as well as the existence of weakly nonlinear waves. For high density contrasts, corresponding more closely to an air-water-type system, linear stability theory is also successful at determining the most-dominant features in the interfacial wave dynamics at early-to-intermediate times. Nevertheless, the short waves selected by the linear theory undergo secondary instability and the wave train is no longer regular but rather exhibits chaotic motion. The same linear stability theory predicts when the direction of travel of the waves changes — from downwards to upwards. We outline the practical implications of this change in terms of loading and flooding. The change in direction of the wave propagation is represented graphically in terms of a flow map based on the liquid and gas flow rates and the prediction carries over to the nonlinear regime with only a small deviation.

Linear and nonlinear instability in vertical counter-current laminar gas-liquid flows

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

Schmidt, Patrick; Lucquiaud, Mathieu; Valluri, Prashant, E-mail: prashant.valluri@ed.ac.uk

We consider the genesis and dynamics of interfacial instability in vertical gas-liquid flows, using as a model the two-dimensional channel flow of a thin falling film sheared by counter-current gas. The methodology is linear stability theory (Orr-Sommerfeld analysis) together with direct numerical simulation of the two-phase flow in the case of nonlinear disturbances. We investigate the influence of two main flow parameters on the interfacial dynamics, namely the film thickness and pressure drop applied to drive the gas stream. To make contact with existing studies in the literature, the effect of various density contrasts is also examined. Energy budget analysesmore » based on the Orr-Sommerfeld theory reveal various coexisting unstable modes (interfacial, shear, internal) in the case of high density contrasts, which results in mode coalescence and mode competition, but only one dynamically relevant unstable interfacial mode for low density contrast. A study of absolute and convective instability for low density contrast shows that the system is absolutely unstable for all but two narrow regions of the investigated parameter space. Direct numerical simulations of the same system (low density contrast) show that linear theory holds up remarkably well upon the onset of large-amplitude waves as well as the existence of weakly nonlinear waves. For high density contrasts, corresponding more closely to an air-water-type system, linear stability theory is also successful at determining the most-dominant features in the interfacial wave dynamics at early-to-intermediate times. Nevertheless, the short waves selected by the linear theory undergo secondary instability and the wave train is no longer regular but rather exhibits chaotic motion. The same linear stability theory predicts when the direction of travel of the waves changes — from downwards to upwards. We outline the practical implications of this change in terms of loading and flooding. The change in direction of the wave propagation is represented graphically in terms of a flow map based on the liquid and gas flow rates and the prediction carries over to the nonlinear regime with only a small deviation.« less

Dust dynamics and diagnostic applications in quasi-neutral plasmas and magnetic fusion

NASA Astrophysics Data System (ADS)

Wang, Zhehui; Ticos, Catalin M.; Si, Jiahe; Delzanno, Gian Luca; Lapenta, Gianni; Wurden, Glen

2007-11-01

Little is known about dust dynamics in highly ionized quasi-neutral plasmas with ca. 1.0 e+20 per cubic meter density and ion temperature at a few eV and above, including in magnetic fusion. For example, dust motion in fusion, better known as UFO's, has been observed since 1980's but not explained. Solid understanding of dust dynamics is also important to International Thermonuclear Experimental Reactor (ITER) because of concerns about safety and dust contamination of fusion core. Compared with well studied strongly-coupled dusty plasma regime, new physics may arise in the higher density quasi-neutral plasma regime because of at least four orders of magnitude higher density and two orders of magnitude hotter ion temperature. Our recent laboratory experiments showed that plasma-flow drag force dominates over other forces in a quasi-neutral flowing plasma. In contrast, delicate balance among different forces in dusty plasma has led to many unique phenomena, in particular, the formation of dust crystal. Based on our experiments, we argue that 1) dust crystal will not form in the highly ionized plasmas with flows; 2) the UFO's are moving dust dragged by plasma flows; 3) dust can be used to measure plasma flow. Two diagnostic applications using dust for laboratory quasi-neutral plasmas and magnetic fusion will also be presented.

Current-Driven Dynamics of Skyrmions Stabilized in MnSi Nanowires Revealed by Topological Hall Effect

NASA Astrophysics Data System (ADS)

Liang, Dong; Degrave, John; Stolt, Matthew; Tokura, Yoshinori; Jin, Song

2015-03-01

Skyrmions, novel topologically stable spin vortices, hold promise for next-generation high-density magnetic storage technologies due to their nanoscale domains and ultralow energy consumption. One-dimensional (1D) nanowires are ideal hosts for skyrmions since they not only serve as a natural platform for magnetic racetrack memory devices but also can potentially stabilize skyrmions. We use the topological Hall effect (THE) to study the phase stability and current-driven dynamics of the skyrmions in MnSi nanowires. The THE was observed in an extended magnetic field-temperature window (15 to 30 K), suggesting stabilization of skyrmion phase in nanowires compared with the bulk (27 to 29.5 K). Furthermore, we study skyrmion dynamics in this extended skyrmion phase region and found that under the high current-density of 108-109Am-2 enabled by nanowire geometry, the THE decreases with increasing current densities, which demonstrates the current-driven motion of skyrmions generating the emergent electric field. These results open up the exploration of nanowires as an attractive platform for investigating skyrmion physics in 1D systems and exploiting skyrmions in magnetic storage concepts. This work is supported by US National Science Foundation (ECCS-1231916) and JSPS Grant-in-Aid for Scientific Research No. 24224009.

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

NASA Astrophysics Data System (ADS)

Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K.

2016-12-01

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no universal scaling of the reduced property with excess entropy for the whole range of temperatures and densities. Instead, Rosenfeld's scaling holds for all the three liquids at high densities and high temperatures, although deviations from simple exponential dependence are observed for diffusivity and viscosity at lower temperatures and intermediate densities. The slope of the scaling of transport properties obtained for Ge is comparable to that obtained for simple liquids, suggesting that this low tetrahedrality liquid, although it stabilizes a diamond crystal, is already close to simple liquid behavior for certain properties.

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium.

PubMed

Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K

2016-12-07

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no universal scaling of the reduced property with excess entropy for the whole range of temperatures and densities. Instead, Rosenfeld's scaling holds for all the three liquids at high densities and high temperatures, although deviations from simple exponential dependence are observed for diffusivity and viscosity at lower temperatures and intermediate densities. The slope of the scaling of transport properties obtained for Ge is comparable to that obtained for simple liquids, suggesting that this low tetrahedrality liquid, although it stabilizes a diamond crystal, is already close to simple liquid behavior for certain properties.

Structural properties of Y2O3–Al2O3 liquids and glasses: An overview

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

Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.

2015-01-01

Liquids in the system Y2O3- Al2O3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining the structure of unequivocallymore » amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y2O3 - Al2O3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y2O3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.« less

Structural properties of Y 2O 3–Al 2O 3 liquids and glasses: An overview

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

Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.

2015-01-01

Liquids in the system Y 2O 3–Al 2O 3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining themore » structure of unequivocally amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y 2O 3–Al 2O 3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y 2O 3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.« less

Matter under extreme conditions experiments at the Linac Coherent Light Source

DOE PAGES

Glenzer, S. H.; Fletcher, L. B.; Galtier, E.; ...

2015-12-10

The Matter in Extreme Conditions end station at the Linac Coherent Light Source (LCLS) is a new tool enabling accurate pump-probe measurements for studying the physical properties of matter in the high-energy density physics regime. This instrument combines the world’s brightest x-ray source, the LCLS x-ray beam, with high-power lasers consisting of two nanosecond Nd:glass laser beams and one short-pulse Ti:sapphire laser. These lasers produce short-lived states of matter with high pressures, high temperatures or high densities with properties that are important for applications in nuclear fusion research, laboratory astrophysics and the development of intense radiation sources. In the firstmore » experiments, we have performed highly accurate x-ray diffraction and x-ray Thomson scattering techniques on shock-compressed matter resolving the transition from compressed solid matter to a co-existence regime and into the warm dense matter state. Furthermore, these complex charged-particle systems are dominated by strong correlations and quantum effects. They exist in planetary interiors and laboratory experiments, e.g., during high-power laser interactions with solids or the compression phase of inertial confinement fusion implosions. Applying record peak brightness X rays resolves the ionic interactions at atomic (Ångstrom) scale lengths and measure the static structure factor, which is a key quantity for determining equation of state data and important transport coefficients. Simultaneously, spectrally resolved measurements of plasmon features provide dynamic structure factor information that yield temperature and density with unprecedented precision at micron-scale resolution in dynamic compression experiments. This set of studies demonstrates our ability to measure fundamental thermodynamic properties that determine the state of matter in the high-energy density physics regime.« less

Comment on: Polar Plumes and Fine-scale Coronal Structures - On the Interpretation of Coronal Radio Sounding Data by Patzold and Bird

NASA Technical Reports Server (NTRS)

Woo, R.; Habbal, S. R.

1998-01-01

Radio occultation measurements, which probe electron density over a wide dynamic range with high sensitivity and high spatial and temporal resolution reveal a solar corona permeated by a hierarchy of filamentary structures.

Probing ultrafast dynamics of solid-density plasma generated by high-contrast intense laser pulses

NASA Astrophysics Data System (ADS)

Jana, Kamalesh; Blackman, David R.; Shaikh, Moniruzzaman; Lad, Amit D.; Sarkar, Deep; Dey, Indranuj; Robinson, Alex P. L.; Pasley, John; Ravindra Kumar, G.

2018-01-01

We present ultrafast dynamics of solid-density plasma created by high-contrast (picosecond contrast ˜10-9), high-intensity (˜4 × 1018 W/cm2) laser pulses using time-resolved pump-probe Doppler spectrometry. Experiments show a rapid rise in blue-shift at early time delay (2-4.3 ps) followed by a rapid fall (4.3-8.3 ps) and then a slow rise in blue-shift at later time delays (>8.3 ps). Simulations show that the early-time observations, specifically the absence of any red-shifting of the reflected probe, can only be reproduced if the front surface is unperturbed by the laser pre-pulse at the moment that the high intensity pulse arrives. A flexible diagnostic which is capable of diagnosing the presence of low-levels of pre-plasma formation would be useful for potential applications in laser-produced proton and ion production, such as cancer therapy and security imaging.

Comparison of high temperature, high frequency core loss and dynamic B-H loops of a 2V-49Fe-49Co and a grain oriented 3Si-Fe alloy

NASA Technical Reports Server (NTRS)

Wieserman, W. R.; Schwarze, G. E.; Niedra, J. M.

1992-01-01

The design of power magnetic components such as transformers, inductors, motors, and generators, requires specific knowledge about the magnetic and electrical characteristics of the magnetic materials used in these components. Limited experimental data exists that characterizes the performance of soft magnetic materials for the combined conditions of high temperature and high frequency over a wide flux density range. An experimental investigation of a 2V-49-Fe-49Co (Supermendur) and a grain oriented 3 Si-Fe (Magnesil) alloy was conducted over the temperature range of 23 to 300 C and frequency range of 0.1 to 10 kHz. The effects of temperature, frequency, and maximum flux density on the core loss and dynamic B-H loops for sinusoidal voltage excitation conditions are examined for each of these materials. A comparison of the core loss of these two materials is also made over the temperature and frequency range investigated.

O+ trough zones in the polar cap ionosphere-magnetosphere coupling region

NASA Astrophysics Data System (ADS)

Horwitz, James; Zeng, Wen; Jaafari, Fajer

Regions of low-density troughs in O+ have been observed at 1 RE altitude in the polar cap ionosphere-magnetosphere region by the Thermal Ion Dynamics Experiment(TIDE) on the POLAR spacecraft. In this presentation, the UT Arlington Dynamic Fluid-Kinetic (DyFK) code is employed to investigate the formation of such O+ density troughs. We utilize convection paths of flux tubes in the high-latitude region as prescribed by an empirical convection model with solar wind inputs to track the evolution of ionospheric plasma transport and in particular O+ densities along these tubes with time/space. The flux tubes are subjected to auroral processes of precipitation and wave-driven ion heating when they pass through the auroral oval, which tends to elevate the plasma densities in these tubes. When the F-regions of such tubes traverse locations where the F-region is in darkness, recombination there causes the higher-altitude regions to drain and the densities to decline throughout. Owing to the varying effects of these processes, significant and low trough-like densities at higher altitudes developed along these flux tubes. The modeled densities near 6000 km altitudes will be compared with multiple POLAR passes featuring POLAR/TIDE-measured O+ densities for inside and outside of such trough regions.

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

DOE PAGES

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

2017-08-02

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less

Lianas escape self-thinning: Experimental evidence of positive density dependence in temperate lianas Celastrus orbiculatus and C. scandens

USGS Publications Warehouse

Leicht-Young, S. A.; Latimer, A.M.; Silander, J.A.

2011-01-01

The neighborhood density of plants strongly affects their growth, reproduction, and survival. In most cases, high density increases competition and negatively affects a focal plant in predictable ways, leading to the self-thinning law. There are, however, situations in which high densities of plants facilitate focal plant performance, resulting in positive density dependence. Despite their importance in forest gap dynamics and distinctive growth form, there have been very few studies of the effect of density on lianas or vines. We grew an invasive (Celastrus orbiculatus) and a native (Celastrus scandens) liana species together in three different density treatments, while also manipulating the light and support availability. We found that across treatment conditions, C. orbiculatus always out-performed C. scandens, showing greater relative growth rate in height and diameter, greater biomass and higher survival. Both species responded similarly to the density treatments: with plants in high density not showing a decrease in relative height growth rate compared to medium density. Aboveground biomass for C. scandens was not affected by density, while for C. orbiculatus, the most massive plants were growing in medium density without support. More surprisingly, survival analysis indicated that the two species both had significantly lower mortality rates in the highest density treatment; this trend held true across the other treatments of light and supports. More generally, this study demonstrates that these lianas can escape the consequences of high density and thus the self-thinning law that affects self-supporting plants. This suggests a broader hypothesis about lianas in general: their greater flexibility in allocating growth resources allows them to grow taller and thinner without collapsing and thereby potentially escape shading and mortality even at high densities.

Velocity Gradient Power Functional for Brownian Dynamics.

PubMed

de Las Heras, Daniel; Schmidt, Matthias

2018-01-12

We present an explicit and simple approximation for the superadiabatic excess (over ideal gas) free power functional, admitting the study of the nonequilibrium dynamics of overdamped Brownian many-body systems. The functional depends on the local velocity gradient and is systematically obtained from treating the microscopic stress distribution as a conjugate field. The resulting superadiabatic forces are beyond dynamical density functional theory and are of a viscous nature. Their high accuracy is demonstrated by comparison to simulation results.

Velocity Gradient Power Functional for Brownian Dynamics

NASA Astrophysics Data System (ADS)

de las Heras, Daniel; Schmidt, Matthias

2018-01-01

We present an explicit and simple approximation for the superadiabatic excess (over ideal gas) free power functional, admitting the study of the nonequilibrium dynamics of overdamped Brownian many-body systems. The functional depends on the local velocity gradient and is systematically obtained from treating the microscopic stress distribution as a conjugate field. The resulting superadiabatic forces are beyond dynamical density functional theory and are of a viscous nature. Their high accuracy is demonstrated by comparison to simulation results.

An observational study of the nightside ionospheres of Mars and Venus with radio occultation methods

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

Zhang, M.H.G.; Luhmann, J.G.; Kliore, A.J.

1990-10-01

An analysis of Mars and Venus nightside electron density profiles obtained with radio occultation methods shows how the nightside ionospheres of both planets vary with solar zenith angle. From previous studies it is known that the dayside peak electron densities at Mars and Venus show a basic similarity in that they both exhibit Chapman layer-like behavior. In contrast, the peak altitudes at mars behave like an ideal Chapman layer on the dayside, whereas the altitude of the peak at Venus is fairly constant up to the terminator. The effect of major dust storms can also be seen in the peakmore » altitudes at Mars. All Venus nightside electron density profiles show a distinct main peak for both solar minimum and maximum, whereas many profiles from the nightside of Mars do not show any peak at all. This suggests that the electron density in the Mars nightside ionosphere is frequently too low to be detected by radio occultation. On the Pioneer Venus orbiter, disappearing ionospheres were observed near solar maximum in the in-situ data when the solar wind dynamic pressure was exceptionally high. This condition occurs because the high solar wind dynamic pressure decreases the altitude of the ionopause near the terminator below {approximately}250 km, thus reducing the normal nightward transport of dayside ionospheric plasma. On the basis of the Venus observations, one might predict that if a positive correlation of nightside peak density with dynamic pressure was found, it could mean that transport from the dayside is the only significant source for the nightside ionosphere of Mars. The lack of a correlation would imply that the precipitation source at Mars is quite variable.« less

Spectral decomposition of internal gravity wave sea surface height in global models

NASA Astrophysics Data System (ADS)

Savage, Anna C.; Arbic, Brian K.; Alford, Matthew H.; Ansong, Joseph K.; Farrar, J. Thomas; Menemenlis, Dimitris; O'Rourke, Amanda K.; Richman, James G.; Shriver, Jay F.; Voet, Gunnar; Wallcraft, Alan J.; Zamudio, Luis

2017-10-01

Two global ocean models ranging in horizontal resolution from 1/12° to 1/48° are used to study the space and time scales of sea surface height (SSH) signals associated with internal gravity waves (IGWs). Frequency-horizontal wavenumber SSH spectral densities are computed over seven regions of the world ocean from two simulations of the HYbrid Coordinate Ocean Model (HYCOM) and three simulations of the Massachusetts Institute of Technology general circulation model (MITgcm). High wavenumber, high-frequency SSH variance follows the predicted IGW linear dispersion curves. The realism of high-frequency motions (>0.87 cpd) in the models is tested through comparison of the frequency spectral density of dynamic height variance computed from the highest-resolution runs of each model (1/25° HYCOM and 1/48° MITgcm) with dynamic height variance frequency spectral density computed from nine in situ profiling instruments. These high-frequency motions are of particular interest because of their contributions to the small-scale SSH variability that will be observed on a global scale in the upcoming Surface Water and Ocean Topography (SWOT) satellite altimetry mission. The variance at supertidal frequencies can be comparable to the tidal and low-frequency variance for high wavenumbers (length scales smaller than ˜50 km), especially in the higher-resolution simulations. In the highest-resolution simulations, the high-frequency variance can be greater than the low-frequency variance at these scales.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

PubMed

Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

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

Sissay, Adonay; Abanador, Paul; Mauger, François

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagatingmore » the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.« less

Nanometer-scale characterization of laser-driven plasmas, compression, shocks and phase transitions, by coherent small angle x-ray scattering

NASA Astrophysics Data System (ADS)

Kluge, Thomas

2015-11-01

Combining ultra-intense short-pulse and high-energy long-pulse lasers, with brilliant coherent hard X-ray FELs, such as the Helmholtz International Beamline for Extreme Fields (HIBEF) under construction at the HED Instrument of European XFEL, or MEC at LCLS, holds the promise to revolutionize our understanding of many High Energy Density Physics phenomena. Examples include the relativistic electron generation, transport, and bulk plasma response, and ionization dynamics and heating in relativistic laser-matter interactions, or the dynamics of laser-driven shocks, quasi-isentropic compression, and the kinetics of phase transitions at high pressure. A particularly promising new technique is the use of coherent X-ray diffraction to characterize electron density correlations, and by resonant scattering to characterize the distribution of specific charge-state ions, either on the ultrafast time scale of the laser interaction, or associated with hydrodynamic motion. As well one can image slight density changes arising from phase transitions inside of shock-compressed high pressure matter. The feasibility of coherent diffraction techniques in laser-driven matter will be discussed. including recent results from demonstration experiments at MEC. Among other things, very sharp density changes from laser-driven compression are observed, having an effective step width of 10 nm or smaller. This compares to a resolution of several hundred nm achievedpreviously with phase contrast imaging. and on behalf of HIBEF User Consortium, for the Helmholtz International Beamline for Extreme Fields at the European XFEL.

Communication: Two-step explosion processes of highly charged fullerene cations C{sub 60}{sup q+} (q = 20–60)

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

Yamazaki, Kaoru; Nakamura, Takashi; Kanno, Manabu

2014-09-28

To establish the fundamental understanding of the fragmentation dynamics of highly positive charged nano- and bio-materials, we carried out on-the-fly classical trajectory calculations on the fragmentation dynamics of C{sub 60}{sup q+} (q = 20–60). We used the UB3LYP/3-21G level of density functional theory and the self-consistent charge density-functional based tight-binding theory. For q ≥ 20, we found that a two-step explosion mechanism governs the fragmentation dynamics: C{sub 60}{sup q+} first ejects singly and multiply charged fast atomic cations C{sup z+} (z ≥ 1) via Coulomb explosions on a timescale of 10 fs to stabilize the remaining core cluster. Thermal evaporationsmore » of slow atomic and molecular fragments from the core cluster subsequently occur on a timescale of 100 fs to 1 ps. Increasing the charge q makes the fragments smaller. This two-step mechanism governs the fragmentation dynamics in the most likely case that the initial kinetic energy accumulated upon ionization to C{sub 60}{sup q+} by ion impact or X-ray free electron laser is larger than 100 eV.« less

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

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

NASA Astrophysics Data System (ADS)

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

2017-11-01

A framework for dislocation-based viscoplasticity and dynamic ductile failure has been developed to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. An averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Additionally, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in (Wilkerson and Ramesh, 2014), which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

Molecular dynamics study of the adsorption of anionic surfactant in a nonionic polymer brush.

PubMed

Wang, Hua; Zhang, Heng; Yuan, Shiling; Liu, Chengbu; Xu, Zhen

2014-06-01

The adsorption of the anionic surfactant, sodium dodecylsulfate (SDS) in poly(ethylene oxide) (PEO) brush was studied by molecular dynamics simulations. Our simulations revealed that surfactant can adsorb in polymer brush as micellar aggregates and the polymer would reside at the hydrocarbon-water interface of SDS micelles. This association between surfactant and polymer was mainly driven by the hydrophobic interaction between the polymer and surfactant tails. In the simulation, with the increasing of surfactant concentration, a plateau value representing saturated adsorption was observed. The height of polymer brush was mainly affected by the adsorbed surfactant at low grafting density of polymer; however, it was primarily controlled by the grafting density at high grafting density. Our conclusions at the molecular level were in close agreement with experiment about the adsorption of surfactant in polymer brushes.

Outcomes of Grazing Impacts between Sub-Neptunes in Kepler  Multis

NASA Astrophysics Data System (ADS)

Hwang, Jason; Chatterjee, Sourav; Lombardi, James, Jr.; Steffen, Jason H.; Rasio, Frederic

2018-01-01

Studies of high-multiplicity, tightly packed planetary systems suggest that dynamical instabilities are common and affect both the orbits and planet structures, where the compact orbits and typically low densities make physical collisions likely outcomes. Since the structure of many of these planets is such that the mass is dominated by a rocky core, but the volume is dominated by a tenuous gas envelope, the sticky-sphere approximation, used in dynamical integrators, may be a poor model for these collisions. We perform five sets of collision calculations, including detailed hydrodynamics, sampling mass ratios, and core mass fractions typical in Kepler Multis. In our primary set of calculations, we use Kepler-36 as a nominal remnant system, as the two planets have a small dynamical separation and an extreme density ratio. We use an N-body code, Mercury 6.2, to integrate initially unstable systems and study the resultant collisions in detail. We use these collisions, focusing on grazing collisions, in combination with realistic planet models created using gas profiles from Modules for Experiments in Stellar Astrophysics and core profiles using equations of state from Seager et al. to perform hydrodynamic calculations, finding scatterings, mergers, and even a potential planet–planet binary. We dynamically integrate the remnant systems, examine the stability, and estimate the final densities, finding that the remnant densities are sensitive to the core masses, and collisions result in generally more stable systems. We provide prescriptions for predicting the outcomes and modeling the changes in mass and orbits following collisions for general use in dynamical integrators.

Bypassing the malfunction junction in warm dense matter simulations

NASA Astrophysics Data System (ADS)

Cangi, Attila; Pribram-Jones, Aurora

2015-03-01

Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature and high-density conditions. The state-of-the-art approach to model electrons and ions under those conditions is density functional theory molecular dynamics, but this method's computational cost skyrockets as temperatures and densities increase. We propose finite-temperature potential functional theory as an in-principle-exact alternative that suffers no such drawback. In analogy to the zero-temperature theory developed previously, we derive an orbital-free free energy approximation through a coupling-constant formalism. Our density approximation and its associated free energy approximation demonstrate the method's accuracy and efficiency. A.C. has been partially supported by NSF Grant CHE-1112442. A.P.J. is supported by DOE Grant DE-FG02-97ER25308.

Hunting high and low: disentangling primordial and late-time non-Gaussianity with cosmic densities in spheres

NASA Astrophysics Data System (ADS)

Uhlemann, C.; Pajer, E.; Pichon, C.; Nishimichi, T.; Codis, S.; Bernardeau, F.

2018-03-01

Non-Gaussianities of dynamical origin are disentangled from primordial ones using the formalism of large deviation statistics with spherical collapse dynamics. This is achieved by relying on accurate analytical predictions for the one-point probability distribution function and the two-point clustering of spherically averaged cosmic densities (sphere bias). Sphere bias extends the idea of halo bias to intermediate density environments and voids as underdense regions. In the presence of primordial non-Gaussianity, sphere bias displays a strong scale dependence relevant for both high- and low-density regions, which is predicted analytically. The statistics of densities in spheres are built to model primordial non-Gaussianity via an initial skewness with a scale dependence that depends on the bispectrum of the underlying model. The analytical formulas with the measured non-linear dark matter variance as input are successfully tested against numerical simulations. For local non-Gaussianity with a range from fNL = -100 to +100, they are found to agree within 2 per cent or better for densities ρ ∈ [0.5, 3] in spheres of radius 15 Mpc h-1 down to z = 0.35. The validity of the large deviation statistics formalism is thereby established for all observationally relevant local-type departures from perfectly Gaussian initial conditions. The corresponding estimators for the amplitude of the non-linear variance σ8 and primordial skewness fNL are validated using a fiducial joint maximum likelihood experiment. The influence of observational effects and the prospects for a future detection of primordial non-Gaussianity from joint one- and two-point densities-in-spheres statistics are discussed.

Packing Regularities in Biological Structures Relate to Their Dynamics

PubMed Central

Jernigan, Robert L.; Kloczkowski, Andrzej

2007-01-01

The high packing density inside proteins leads to certain geometric regularities and also is one of the most important contributors to the high extent of cooperativity manifested by proteins in their cohesive domain motions. The orientations between neighboring non-bonded residues in proteins substantially follow the similar geometric regularities, regardless of whether the residues are on the surface or buried - a direct result of hydrophobicity forces. These orientations are relatively fixed and correspond closely to small deformations from those of the face-centered cubic lattice, which is the way in which identical spheres pack at the highest density. Packing density also is related to the extent of conservation of residues, and we show this relationship for residue packing densities by averaging over a large sample or residue packings. There are three regimes: 1) over a broad range of packing densities the relationship between sequence entropy and inverse packing density is nearly linear, 2) over a limited range of low packing densities the sequence entropy is nearly constant, and 3) at extremely low packing densities the sequence entropy is highly variable. These packing results provide important justification for the simple elastic network models that have been shown for a large number of proteins to represent protein dynamics so successfully, even when the models are extremely coarse-grained. Elastic network models for polymeric chains are simple and could be combined with these protein elastic networks to represent partially denatured parts of proteins. Finally, we show results of applications of the elastic network model to study the functional motions of the ribosome, based on its known structure. These results indicate expected correlations among its components for the step-wise processing steps in protein synthesis, and suggest ways to use these elastic network models to develop more detailed mechanisms - an important possibility, since most experiments yield only static structures. PMID:16957327

Tuning of electronic properties and dynamical stability of graphene oxide with different functional groups

NASA Astrophysics Data System (ADS)

Dabhi, Shweta D.; Jha, Prafulla K.

2017-09-01

The structural, electronic and vibrational properties of graphene oxide (GO) with varying proportion of epoxy and hydroxyl functional groups have been studied using density functional theory. The functional groups and oxygen density have an obvious influence on the electronic and vibrational properties. The dependence of band gap on associated functional groups and oxygen density shows a possibility of tuning the band gap of graphene by varying the functional groups as well as oxidation level. The absorption of high oxygen content in graphene leads to the gap opening and resulting in a transition from semimetal to semiconductor. Phonon dispersion curves show no imaginary frequency or no softening of any phonon mode throughout the Brillouin zone which confirms the dynamical stability of all considered GO models. Different groups and different oxygen density result into the varying characteristics of phonon modes. The computed results show good agreement with the experimental observations. Our results present interesting possibilities for engineering the electronic properties of graphene and GO and impact the fabrication of new electronics.

Reversible near-infrared light directed reflection in a self-organized helical superstructure loaded with upconversion nanoparticles.

PubMed

Wang, Ling; Dong, Hao; Li, Yannian; Xue, Chenming; Sun, Ling-Dong; Yan, Chun-Hua; Li, Quan

2014-03-26

Adding external, dynamic control to self-organized superstructures with desired functionalities is an important leap necessary in leveraging the fascinating molecular systems for applications. Here, the new light-driven chiral molecular switch and upconversion nanoparticles, doped in a liquid crystal media, were able to self-organize into an optically tunable helical superstructure. The resulting nanoparticle impregnated helical superstructure was found to exhibit unprecedented reversible near-infrared (NIR) light-guided tunable behavior only by modulating the excitation power density of a continuous-wave NIR laser (980 nm). Upon irradiation by the NIR laser at the high power density, the reflection wavelength of the photonic superstructure red-shifted, whereas its reverse process occurred upon irradiation by the same laser but with the lower power density. Furthermore, reversible dynamic NIR-light-driven red, green, and blue reflections in a single thin film, achieved only by varying the power density of the NIR light, were for the first time demonstrated.

[Dynamic changes of urban architecture landscape based on Barista: a case study in Tiexi District of Shenyang City].

PubMed

Zhang, Pei-feng; Hu, Yuan-man; He, Hong-shi; Xiong, Zai-ping; Liu, Miao

2010-12-01

In this paper, three-dimensional building information was extracted from high resolution satellite image based on Barista software. Combined with ArcGIS software, the dynamic changes of the building landscape in Tiexi District of Shenyang City during urban renewal process were analyzed from the conversion contribution rate, building density, average building height, and built-up area rate. It was found that during this urban renewal process, four dominant landscape types (vacant lot, residential building, industrial building, and road) were the main parts of the landscape changes. The areas of vacant lot, residential building, commercial building, and road increased, while that of industrial building decreased. The building density decreased, while the average building height increased. There was an obvious regional variation in building landscape. The building density in industrial district was higher than that in residential district, while the average building height was in adverse. The further from the city center, the lower the building density and building average height.

Practical technique to quantify small, dense low-density lipoprotein cholesterol using dynamic light scattering

NASA Astrophysics Data System (ADS)

Trirongjitmoah, Suchin; Iinaga, Kazuya; Sakurai, Toshihiro; Chiba, Hitoshi; Sriyudthsak, Mana; Shimizu, Koichi

2016-04-01

Quantification of small, dense low-density lipoprotein (sdLDL) cholesterol is clinically significant. We propose a practical technique to estimate the amount of sdLDL cholesterol using dynamic light scattering (DLS). An analytical solution in a closed form has newly been obtained to estimate the weight fraction of one species of scatterers in the DLS measurement of two species of scatterers. Using this solution, we can quantify the sdLDL cholesterol amount from the amounts of the low-density lipoprotein cholesterol and the high-density lipoprotein (HDL) cholesterol, which are commonly obtained through clinical tests. The accuracy of the proposed technique was confirmed experimentally using latex spheres with known size distributions. The applicability of the proposed technique was examined using samples of human blood serum. The possibility of estimating the sdLDL amount using the HDL data was demonstrated. These results suggest that the quantitative estimation of sdLDL amounts using DLS is feasible for point-of-care testing in clinical practice.

Spectral calibration of EBT3 and HD-V2 radiochromic film response at high dose using 20 MeV proton beams

NASA Astrophysics Data System (ADS)

Feng, Yiwei; Tiedje, Henry F.; Gagnon, Katherine; Fedosejevs, Robert

2018-04-01

Radiochromic film is used extensively in many medical, industrial, and scientific applications. In particular, the film is used in analysis of proton generation and in high intensity laser-plasma experiments where very high dose levels can be obtained. The present study reports calibration of the dose response of Gafchromic EBT3 and HD-V2 radiochromic films up to high exposure densities. A 2D scanning confocal densitometer system is employed to carry out accurate optical density measurements up to optical density 5 on the exposed films at the peak spectral absorption wavelengths. Various wavelengths from 400 to 740 nm are also scanned to extend the practical dose range of such films by measuring the response at wavelengths removed from the peak response wavelengths. Calibration curves for the optical density versus exposure dose are determined and can be used for quantitative evaluation of measured doses based on the measured optical densities. It was found that blue and UV wavelengths allowed the largest dynamic range though at some trade-off with overall accuracy.

A multi-emitter fitting algorithm for potential live cell super-resolution imaging over a wide range of molecular densities.

PubMed

Takeshima, T; Takahashi, T; Yamashita, J; Okada, Y; Watanabe, S

2018-05-25

Multi-emitter fitting algorithms have been developed to improve the temporal resolution of single-molecule switching nanoscopy, but the molecular density range they can analyse is narrow and the computation required is intensive, significantly limiting their practical application. Here, we propose a computationally fast method, wedged template matching (WTM), an algorithm that uses a template matching technique to localise molecules at any overlapping molecular density from sparse to ultrahigh density with subdiffraction resolution. WTM achieves the localization of overlapping molecules at densities up to 600 molecules μm -2 with a high detection sensitivity and fast computational speed. WTM also shows localization precision comparable with that of DAOSTORM (an algorithm for high-density super-resolution microscopy), at densities up to 20 molecules μm -2 , and better than DAOSTORM at higher molecular densities. The application of WTM to a high-density biological sample image demonstrated that it resolved protein dynamics from live cell images with subdiffraction resolution and a temporal resolution of several hundred milliseconds or less through a significant reduction in the number of camera images required for a high-density reconstruction. WTM algorithm is a computationally fast, multi-emitter fitting algorithm that can analyse over a wide range of molecular densities. The algorithm is available through the website. https://doi.org/10.17632/bf3z6xpn5j.1. © 2018 The Authors. Journal of Microscopy published by JohnWiley & Sons Ltd on behalf of Royal Microscopical Society.

Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression.

PubMed

McDermott, Danielle; Olson Reichhardt, Cynthia J; Reichhardt, Charles

2016-11-28

Using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements of particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.

Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression

DOE PAGES

McDermott, Danielle; Olson Reichhardt, Cynthia J.; Reichhardt, Charles

2016-11-11

In using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements ofmore » particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We also characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.« less

Advances in the study of mechanical properties and constitutive law in the field of wood research

NASA Astrophysics Data System (ADS)

Zhao, S.; Zhao, J. X.; Han, G. Z.

2016-07-01

This paper presents an overview of mechanical properties and constitutive law for wood. Current research on the mechanical properties of wood have mostly focused on density, grain, moisture, and other natural factors. It has been established that high density, dense grain, and high moisture lead to higher strength. In most literature, wood has been regarded as an anisotropic material because of its fiber. A microscopic view is used in research of wood today, in this way, which has allowed for clear observation of anisotropy. In general, wood has higher strength under a dynamic load, and no densification. The constitutive model is the basis of numerical analysis. An anisotropic model of porous and composite materials has been used for wood, but results were poor, and new constitutions have been introduced. According to the literature, there is no single theory that is widely accepted for the dynamic load. Research has shown that grain and moisture are key factors in wood strength, but there has not been enough study on dynamic loads so far. Hill law has been the most common method of simulation. Models that consider high strain rate are attracting more and more attention.

Analysis of laser shock experiments on precompressed samples using a quartz reference and application to warm dense hydrogen and helium

DOE PAGES

Brygoo, Stephanie; Millot, Marius; Loubeyre, Paul; ...

2015-11-16

Megabar (1 Mbar = 100 GPa) laser shocks on precompressed samples allow reaching unprecedented high densities and moderately high ~10 3–10 4 K temperatures. We describe in this paper a complete analysis framework for the velocimetry (VISAR) and pyrometry (SOP) data produced in these experiments. Since the precompression increases the initial density of both the sample of interest and the quartz reference for pressure-density, reflectivity, and temperature measurements, we describe analytical corrections based on available experimental data on warm dense silica and density-functional-theory based molecular dynamics computer simulations. Finally, using our improved analysis framework, we report a re-analysis of previouslymore » published data on warm dense hydrogen and helium, compare the newly inferred pressure, density, and temperature data with most advanced equation of state models and provide updated reflectivity values.« less

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

Liu, Siqi; Senses, Erkan; Jiao, Yang

Nanoparticles functionalized with long polymer chains at low graft density are interesting systems to study structure–dynamic relationships in polymer nanocomposites since they are shown to aggregate into strings in both solution and melts and also into spheres and branched aggregates in the presence of free polymer chains. Our work investigates structure and entanglement effects in composites of polystyrene-grafted iron oxide nanoparticles by measuring particle relaxations using X-ray photon correlation spectroscopy. And for particles within highly ordered strings and aggregated systems, they experience a dynamically heterogeneous environment displaying hyperdiffusive relaxation commonly observed in jammed soft glassy systems. Furthermore, particle dynamics ismore » diffusive for branched aggregated structures which could be caused by less penetration of long matrix chains into brushes. These results suggest that particle motion is dictated by the strong interactions of chains grafted at low density with the host matrix polymer.« less

Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex

NASA Astrophysics Data System (ADS)

Shibl, Mohamed F.; Schulze, Jan; Al-Marri, Mohammed J.; Kühn, Oliver

2017-09-01

The multilayer multiconfiguration time-dependent Hartree method is used to study the coupled exciton-vibrational dynamics in a high-dimensional nonameric model of the LH2 antenna complex of purple bacteria. The exciton-vibrational coupling is parametrized within the Huang-Rhys model according to phonon and intramolecular vibrational modes derived from an experimental bacteriochlorophyll spectral density. In contrast to reduced density matrix approaches, the Schrödinger equation is solved explicitly, giving access to the full wave function. This facilitates an unbiased analysis in terms of the coupled dynamics of excitonic and vibrational degrees of freedom. For the present system, we identify spectator modes for the B800 to B800 transfer and we find a non-additive effect of phonon and intramolecular vibrational modes on the B800 to B850 exciton transfer.

DE/ISIS conjunction comparisons of high-latitude electron density features

NASA Technical Reports Server (NTRS)

Hoegy, Walter R.; Benson, Robert F.

1988-01-01

This paper presents a comparison between the ISIS-1 and -2 topside sounder measurements of electron number density, N(e), with the in situ ion and N(e) measurements by the Langmuir probe aboard the Dynamics Explorer 2 (DE 2) during four high-latitude ISIS/DE magnetic field-aligned conjunctions. The ISIS-derived N(e) values, even at the greatest distance from the sounder, were found to agree with the Langmuir probe measurements to within about 30 percent over a density range of more than two decades on three of the four comparisons; the fourth comparison which included data with strong N(e) irregularities, showed a difference of 60 percent.

The Structure of Liquid and Amorphous Hafnia.

PubMed

Gallington, Leighanne C; Ghadar, Yasaman; Skinner, Lawrie B; Weber, J K Richard; Ushakov, Sergey V; Navrotsky, Alexandra; Vazquez-Mayagoitia, Alvaro; Neuefeind, Joerg C; Stan, Marius; Low, John J; Benmore, Chris J

2017-11-10

Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf-O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that show density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf-Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf-Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO 6,7 polyhedra resembling that observed in the monoclinic phase.

Water quality of a coastal lagoon (ES, Brazil): abiotic aspects, cytogenetic damage, and phytoplankton dynamics.

PubMed

Duarte, Ian Drumond; Silva, Nayara Heloisa Vieira Fraga; da Costa Souza, Iara; de Oliveira, Larissa Bassani; Rocha, Lívia Dorsch; Morozesk, Mariana; Bonomo, Marina Marques; de Almeida Pereira, Thaís; Dias, Mauro Cesar; de Oliveira Fernandes, Valéria; Matsumoto, Silvia Tamie

2017-04-01

Assessment of water resources requires interdisciplinary studies that include multiple ecosystem aspects. This study evaluated the water quality of Juara Lagoon (ES, Brazil) based on physical and chemical variables, cytogenetic responses in Allium cepa and phytoplankton dynamics. Three sampling sites were defined and water samples were collected during two sampling periods. Analyses such as determination of photic zone, conductivity, and concentrations of nutrients and metals were conducted as well as cytotoxic, mutagenic, and genotoxic potentials using A. cepa test. The main attributes of phytoplankton community, such as total richness, total density, density by class, dominance, and diversity, were also evaluated. Results have revealed that Juara Lagoon has signs of artificial eutrophication at two sampling sites due to high levels of total phosphorus and ammonia nitrogen. Cytotoxic, genotoxic, and mutagenic potentials were detected as well as high concentrations of Fe and Mn. Furthermore, 165 phytoplankton taxa were recorded, with highest richness in Chlorophyceae and Cyanophyceae classes. In addition, Cyanophyceae presented as the highest density class. A. cepa test and phytoplankton community evaluation indicated that the ecological quality of Juara Lagoon is compromised.

Measurements of beam halo diffusion and population density in the Tevatron and in the Large Hadron Collider

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

Stancari, Giulio

2015-03-01

Halo dynamics influences global accelerator performance: beam lifetimes, emittance growth, dynamic aperture, and collimation efficiency. Halo monitoring and control are also critical for the operation of high-power machines. For instance, in the high-luminosity upgrade of the LHC, the energy stored in the beam tails may reach several megajoules. Fast losses can result in superconducting magnet quenches, magnet damage, or even collimator deformation. The need arises to measure the beam halo and to remove it at controllable rates. In the Tevatron and in the LHC, halo population densities and diffusivities were measured with collimator scans by observing the time evolution ofmore » losses following small inward or outward collimator steps, under different experimental conditions: with single beams and in collision, and, in the case of the Tevatron, with a hollow electron lens acting on a subset of bunches. After the LHC resumes operations, it is planned to compare measured diffusivities with the known strength of transverse damper excitations. New proposals for nondestructive halo population density measurements are also briefly discussed.« less

A dynamic model of the radiation-belt electron phase-space density based on POLAR/HIST measurements

NASA Astrophysics Data System (ADS)

Vassiliadis, D.; Green, J. C.

2007-12-01

The response of the energetic-electron phase-space density (PSD) in the radiation belts is subject to a delicate combination of acceleration and loss processes which are strongly determined by the magnetospheric configuration and field disturbance level. We quantify the response of the density to stormtime fields as observed by the HIST detector on board POLAR. Several distinct modes are identified, characterized by peak second- and third- adiabatic invariants and peak delay time. The modes represent quasiadiabatic transport due to ring current activity; high L* (~6), day-long acceleration linked to ULF wave-particle interaction; and low-L* (~3), minute- to hour-long acceleration interpreted to be due to transient inductive fields or VLF wave-particle interaction. The net transport due to these responses is not always or everywhere diffusive, therefore we quantify the degree of departure from diffusive transport for specific storm intervals and radial ranges. Taken together the response modes comprise a dynamic, nonlinear model which allows us to better understand the historic variability of the high-energy tail of the electron distribution in the inner magnetosphere.

The Structure of Liquid and Amorphous Hafnia

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

Gallington, Leighanne; Ghadar, Yasaman; Skinner, Lawrie

Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf–O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that showmore » density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf–Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf–Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO 6,7 polyhedra resembling that observed in the monoclinic phase.« less

The Structure of Liquid and Amorphous Hafnia

DOE PAGES

Gallington, Leighanne; Ghadar, Yasaman; Skinner, Lawrie; ...

2017-11-10

Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf–O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that showmore » density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf–Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf–Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO 6,7 polyhedra resembling that observed in the monoclinic phase.« less

Parallel processing data network of master and slave transputers controlled by a serial control network

DOEpatents

Crosetto, D.B.

1996-12-31

The present device provides for a dynamically configurable communication network having a multi-processor parallel processing system having a serial communication network and a high speed parallel communication network. The serial communication network is used to disseminate commands from a master processor to a plurality of slave processors to effect communication protocol, to control transmission of high density data among nodes and to monitor each slave processor`s status. The high speed parallel processing network is used to effect the transmission of high density data among nodes in the parallel processing system. Each node comprises a transputer, a digital signal processor, a parallel transfer controller, and two three-port memory devices. A communication switch within each node connects it to a fast parallel hardware channel through which all high density data arrives or leaves the node. 6 figs.

Parallel processing data network of master and slave transputers controlled by a serial control network

DOEpatents

Crosetto, Dario B.

1996-01-01

The present device provides for a dynamically configurable communication network having a multi-processor parallel processing system having a serial communication network and a high speed parallel communication network. The serial communication network is used to disseminate commands from a master processor (100) to a plurality of slave processors (200) to effect communication protocol, to control transmission of high density data among nodes and to monitor each slave processor's status. The high speed parallel processing network is used to effect the transmission of high density data among nodes in the parallel processing system. Each node comprises a transputer (104), a digital signal processor (114), a parallel transfer controller (106), and two three-port memory devices. A communication switch (108) within each node (100) connects it to a fast parallel hardware channel (70) through which all high density data arrives or leaves the node.

Analysis of stationary fuel cell dynamic ramping capabilities and ultra capacitor energy storage using high resolution demand data

NASA Astrophysics Data System (ADS)

Meacham, James R.; Jabbari, Faryar; Brouwer, Jacob; Mauzey, Josh L.; Samuelsen, G. Scott

Current high temperature fuel cell (HTFC) systems used for stationary power applications (in the 200-300 kW size range) have very limited dynamic load following capability or are simply base load devices. Considering the economics of existing electric utility rate structures, there is little incentive to increase HTFC ramping capability beyond 1 kWs -1 (0.4% s -1). However, in order to ease concerns about grid instabilities from utility companies and increase market adoption, HTFC systems will have to increase their ramping abilities, and will likely have to incorporate electrical energy storage (EES). Because batteries have low power densities and limited lifetimes in highly cyclic applications, ultra capacitors may be the EES medium of choice. The current analyses show that, because ultra capacitors have a very low energy storage density, their integration with HTFC systems may not be feasible unless the fuel cell has a ramp rate approaching 10 kWs -1 (4% s -1) when using a worst-case design analysis. This requirement for fast dynamic load response characteristics can be reduced to 1 kWs -1 by utilizing high resolution demand data to properly size ultra capacitor systems and through demand management techniques that reduce load volatility.

Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La(3+).

PubMed

Terrier, Cyril; Vitorge, Pierre; Gaigeot, Marie-Pierre; Spezia, Riccardo; Vuilleumier, Rodolphe

2010-07-28

Structural and electronic properties of La(3+) immersed in bulk water have been assessed by means of density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations. Correct structural properties, i.e., La(III)-water distances and La(III) coordination number, can be obtained within the framework of Car-Parrinello simulations providing that both the La pseudopotential and conditions of the dynamics (fictitious mass and time step) are carefully set up. DFT-MD explicitly treats electronic densities and is shown here to provide a theoretical justification to the necessity of including polarization when studying highly charged cations such as lanthanoids(III) with classical MD. La(3+) was found to strongly polarize the water molecules located in the first shell, giving rise to dipole moments about 0.5 D larger than those of bulk water molecules. Finally, analyzing Kohn-Sham orbitals, we found La(3+) empty 4f orbitals extremely compact and to a great extent uncoupled from the water conduction band, while the 5d empty orbitals exhibit mixing with unoccupied states of water.

Dynamic changes in high and low mammographic density human breast tissues maintained in murine tissue engineering chambers during various murine peripartum states and over time.

PubMed

Chew, G L; Huang, D; Huo, C W; Blick, T; Hill, P; Cawson, J; Frazer, H; Southey, M D; Hopper, J L; Henderson, M A; Haviv, I; Thompson, E W

2013-07-01

Mammographic density (MD) is a strong heritable risk factor for breast cancer, and may decrease with increasing parity. However, the biomolecular basis for MD-associated breast cancer remains unclear, and systemic hormonal effects on MD-associated risk is poorly understood. This study assessed the effect of murine peripartum states on high and low MD tissue maintained in a xenograft model of human MD. Method High and low MD human breast tissues were precisely sampled under radiographic guidance from prophylactic mastectomy specimens of women. The high and low MD tissues were maintained in separate vascularised biochambers in nulliparous or pregnant SCID mice for 4 weeks, or mice undergoing postpartum involution or lactation for three additional weeks. High and low MD biochamber material was harvested for histologic and radiographic comparisons during various murine peripartum states. High and low MD biochamber tissues in nulliparous mice were harvested at different timepoints for histologic and radiographic comparisons. Results High MD biochamber tissues had decreased stromal (p = 0.0027), increased adipose (p = 0.0003) and a trend to increased glandular tissue areas (p = 0.076) after murine postpartum involution. Stromal areas decreased (p = 0.042), while glandular (p = 0.001) and adipose areas (p = 0.009) increased in high MD biochamber tissues during lactation. A difference in radiographic density was observed in high (p = 0.0021) or low MD biochamber tissues (p = 0.004) between nulliparous, pregnant and involution groups. No differences in tissue composition were observed in high or low MD biochamber tissues maintained for different durations, although radiographic density increased over time. Conclusion High MD biochamber tissues had measurable histologic changes after postpartum involution or lactation. Alterations in radiographic density occurred in biochamber tissues between different peripartum states and over time. These findings demonstrate the dynamic nature of the human MD xenograft model, providing a platform for studying the biomolecular basis of MD-associated cancer risk.

High-power, kilojoule laser interactions with near-critical density plasma

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

Willingale, L.; Thomas, A. G. R.; Maksimchuk, A.

Experiments were performed using the Omega EP laser, which provided pulses containing 1kJ of energy in 9ps and was used to investigate high-power, relativistic intensity laser interactions with near-critical density plasmas, created from foam targets with densities of 3-100 mg/cm{sup 3}. The effect of changing the plasma density on both the laser light transmitted through the targets and the proton beam accelerated from the interaction was investigated. Two-dimensional particle-in-cell simulations enabled the interaction dynamics and laser propagation to be studied in detail. The effect of the laser polarization and intensity in the two-dimensional simulations on the channel formation and electronmore » heating are discussed. In this regime, where the plasma density is above the critical density, but below the relativistic critical density, the channel formation speed and therefore length are inversely proportional to the plasma density, which is faster than the hole boring model prediction. A general model is developed to describe the channel length in this regime.« less

Negative hydrogen ions in a linear helicon plasma device

NASA Astrophysics Data System (ADS)

Corr, Cormac; Santoso, Jesse; Samuell, Cameron; Willett, Hannah; Manoharan, Rounak; O'Byrne, Sean

2015-09-01

Low-pressure negative ion sources are of crucial importance to the development of high-energy (>1 MeV) neutral beam injection systems for the ITER experimental tokamak device. Due to their high power coupling efficiency and high plasma densities, helicon devices may be able to reduce power requirements and potentially remove the need for caesium. In helicon sources, the RF power can be coupled efficiently into the plasma and it has been previously observed that the application of a small magnetic field can lead to a significant increase in the plasma density. In this work, we investigate negative ion dynamics in a high-power (20 kW) helicon plasma source. The negative ion fraction is measured by probe-based laser photodetachment, electron density and temperature are determined by a Langmuir probe and tuneable diode laser absorption spectroscopy is used to determine the density of the H(n = 2) excited atomic state and the gas temperature. The negative ion density and excited atomic hydrogen density display a maximum at a low applied magnetic field of 3 mT, while the electron temperature displays a minimum. The negative ion density can be increased by a factor of 8 with the application of the magnetic field. Spatial and temporal measurements will also be presented. The Australian Research Grants Council is acknowledged for funding.

Robust, Rework-able Thermal Electronic Packaging: Applications in High Power TR Modules for Space

NASA Technical Reports Server (NTRS)

Hoffman, James Patrick; Del Castillo, Linda; Hunter, Don; Miller, Jennifer

2012-01-01

The higher output power densities required of modern radar architectures, such as the proposed DESDynI [Deformation, Ecosystem Structure, and Dynamics of Ice] SAR [Synthetic Aperture Radar] Instrument (or DSI) require increasingly dense high power electronics. To enable these higher power densities, while maintaining or even improving hardware reliability, requires improvements in integrating advanced thermal packaging technologies into radar transmit/receive (TR) modules. New materials and techniques have been studied and are now being implemented side-by-side with more standard technology typically used in flight hardware.

Friction on the Bond and the Vibrational Relaxation in Simple Liquids.

NASA Astrophysics Data System (ADS)

Mishra, Bimalendu Kumar

In chapter 1, the energy relaxation of a stiff Morse oscillator dissolved in a simple LJ fluid is calculated using a reversible integrator (r-RESPA) in molecular dynamics generated from the Trotter factorization of the classical propagator. We compare the "real" relaxation from full MD simulations with that predicted by the Generalized Langevin Equation (GLE) with memory friction determined from the full Molecular Dynamics for a series of fluid densities. It is found that the GLE gives very good agreement with MD for the vibrational energy relaxation for this nonlinear oscillator far from equilibrium only for high density fluids, but reduced densities rho < 0.5 the energy relaxation from the MD simulation becomes considered slower than that from the GLE. An analysis of the statistical properties of the random force shows that as the density is lowered the non-Gaussian behavior of the random force becomes more prominent. This behavior is consistent with a simple model in which the oscillator undergoes generalized Langevin dynamics between strong binary collisions with solvent atoms. In chapter 2, molecular hydrodynamics is used to calculate the memory friction on the intramolecular vibrational coordinate of a homonuclear diatomic molecule dissolved in a simple liquid. The predicted memory friction is then compared to recent computer experiments. Agreement with the experimental memory functions is obtained when the linearized hydrodynamics is modified to include gaussian viscoelasticity and compressibility. The hydrodynamic friction on the bond appears to agree qualitatively very well, although quantitative agreement is not found at high frequencies. Various limits of the hydrodynamic friction are discussed.

Successional dynamics in Neotropical forests are as uncertain as they are predictable

PubMed Central

Norden, Natalia; Angarita, Héctor A.; Bongers, Frans; Martínez-Ramos, Miguel; Granzow-de la Cerda, Iñigo; van Breugel, Michiel; Lebrija-Trejos, Edwin; Meave, Jorge A.; Vandermeer, John; Williamson, G. Bruce; Finegan, Bryan; Mesquita, Rita; Chazdon, Robin L.

2015-01-01

Although forest succession has traditionally been approached as a deterministic process, successional trajectories of vegetation change vary widely, even among nearby stands with similar environmental conditions and disturbance histories. Here, we provide the first attempt, to our knowledge, to quantify predictability and uncertainty during succession based on the most extensive long-term datasets ever assembled for Neotropical forests. We develop a novel approach that integrates deterministic and stochastic components into different candidate models describing the dynamical interactions among three widely used and interrelated forest attributes—stem density, basal area, and species density. Within each of the seven study sites, successional trajectories were highly idiosyncratic, even when controlling for prior land use, environment, and initial conditions in these attributes. Plot factors were far more important than stand age in explaining successional trajectories. For each site, the best-fit model was able to capture the complete set of time series in certain attributes only when both the deterministic and stochastic components were set to similar magnitudes. Surprisingly, predictability of stem density, basal area, and species density did not show consistent trends across attributes, study sites, or land use history, and was independent of plot size and time series length. The model developed here represents the best approach, to date, for characterizing autogenic successional dynamics and demonstrates the low predictability of successional trajectories. These high levels of uncertainty suggest that the impacts of allogenic factors on rates of change during tropical forest succession are far more pervasive than previously thought, challenging the way ecologists view and investigate forest regeneration. PMID:26080411

Successional dynamics in Neotropical forests are as uncertain as they are predictable.

PubMed

Norden, Natalia; Angarita, Héctor A; Bongers, Frans; Martínez-Ramos, Miguel; Granzow-de la Cerda, Iñigo; van Breugel, Michiel; Lebrija-Trejos, Edwin; Meave, Jorge A; Vandermeer, John; Williamson, G Bruce; Finegan, Bryan; Mesquita, Rita; Chazdon, Robin L

2015-06-30

Although forest succession has traditionally been approached as a deterministic process, successional trajectories of vegetation change vary widely, even among nearby stands with similar environmental conditions and disturbance histories. Here, we provide the first attempt, to our knowledge, to quantify predictability and uncertainty during succession based on the most extensive long-term datasets ever assembled for Neotropical forests. We develop a novel approach that integrates deterministic and stochastic components into different candidate models describing the dynamical interactions among three widely used and interrelated forest attributes--stem density, basal area, and species density. Within each of the seven study sites, successional trajectories were highly idiosyncratic, even when controlling for prior land use, environment, and initial conditions in these attributes. Plot factors were far more important than stand age in explaining successional trajectories. For each site, the best-fit model was able to capture the complete set of time series in certain attributes only when both the deterministic and stochastic components were set to similar magnitudes. Surprisingly, predictability of stem density, basal area, and species density did not show consistent trends across attributes, study sites, or land use history, and was independent of plot size and time series length. The model developed here represents the best approach, to date, for characterizing autogenic successional dynamics and demonstrates the low predictability of successional trajectories. These high levels of uncertainty suggest that the impacts of allogenic factors on rates of change during tropical forest succession are far more pervasive than previously thought, challenging the way ecologists view and investigate forest regeneration.

High spatial resolution three-dimensional mapping of vegetation spectral dynamics using computer vision and hobbyist unmanned aerial vehicles

NASA Astrophysics Data System (ADS)

Dandois, J. P.; Ellis, E. C.

2013-12-01

High spatial resolution three-dimensional (3D) measurements of vegetation by remote sensing are advancing ecological research and environmental management. However, substantial economic and logistical costs limit this application, especially for observing phenological dynamics in ecosystem structure and spectral traits. Here we demonstrate a new aerial remote sensing system enabling routine and inexpensive aerial 3D measurements of canopy structure and spectral attributes, with properties similar to those of LIDAR, but with RGB (red-green-blue) spectral attributes for each point, enabling high frequency observations within a single growing season. This 'Ecosynth' methodology applies photogrammetric ''Structure from Motion'' computer vision algorithms to large sets of highly overlapping low altitude (< 130 m) aerial photographs acquired using off-the-shelf digital cameras mounted on an inexpensive (< USD$4000), lightweight (< 2 kg), hobbyist-grade unmanned aerial system (UAS). Ecosynth 3D point clouds with densities of 30 - 67 points m-2 were produced using commercial computer vision software from digital photographs acquired repeatedly by UAS over three 6.25 ha (250 m x 250 m) Temperate Deciduous forest sites in Maryland USA. Ecosynth canopy height maps (CHMs) were strong predictors of field-measured tree heights (R2 0.63 to 0.84) and were highly correlated with a LIDAR CHM (R 0.87) acquired 4 days earlier, though Ecosynth-based estimates of aboveground biomass densities included significant errors (31 - 36% of field-based estimates). Repeated scanning of a 0.25 ha forested area at six different times across a 16 month period revealed ecologically significant dynamics in canopy color at different heights and a structural shift upward in canopy density, as demonstrated by changes in vertical height profiles of point density and relative RGB brightness. Changes in canopy relative greenness were highly correlated (R2 = 0.88) with MODIS NDVI time series for the same area and vertical differences in canopy color revealed the early green up of the dominant canopy species, Liriodendron tulipifera, strong evidence that Ecosynth time series measurements capture vegetation structural and spectral dynamics at the spatial scale of individual trees. Observing canopy phenology in 3D at high temporal resolutions represents a breakthrough in forest ecology. Inexpensive user-deployed technologies for multispectral 3D scanning of vegetation at landscape scales (< 1 km2) heralds a new era of participatory remote sensing by field ecologists, community foresters and the interested public.

Dynamic fracture of tantalum under extreme tensile stress.

PubMed

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily; Faenov, Anatoly; Habara, Hideaki; Harmand, Marion; Hartley, Nicholas; Ilnitsky, Denis; Inogamov, Nail; Inubushi, Yuichi; Ishikawa, Tetsuya; Katayama, Tetsuo; Koyama, Takahisa; Koenig, Michel; Krygier, Andrew; Matsuoka, Takeshi; Matsuyama, Satoshi; McBride, Emma; Migdal, Kirill Petrovich; Morard, Guillaume; Ohashi, Haruhiko; Okuchi, Takuo; Pikuz, Tatiana; Purevjav, Narangoo; Sakata, Osami; Sano, Yasuhisa; Sato, Tomoko; Sekine, Toshimori; Seto, Yusuke; Takahashi, Kenjiro; Tanaka, Kazuo; Tange, Yoshinori; Togashi, Tadashi; Tono, Kensuke; Umeda, Yuhei; Vinci, Tommaso; Yabashi, Makina; Yabuuchi, Toshinori; Yamauchi, Kazuto; Yumoto, Hirokatsu; Kodama, Ryosuke

2017-06-01

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power optical laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of [Formula: see text] ~2 × 10 8 to 3.5 × 10 8 s -1 . A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions.

Dynamic fracture of tantalum under extreme tensile stress

PubMed Central

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily; Faenov, Anatoly; Habara, Hideaki; Harmand, Marion; Hartley, Nicholas; Ilnitsky, Denis; Inogamov, Nail; Inubushi, Yuichi; Ishikawa, Tetsuya; Katayama, Tetsuo; Koyama, Takahisa; Koenig, Michel; Krygier, Andrew; Matsuoka, Takeshi; Matsuyama, Satoshi; McBride, Emma; Migdal, Kirill Petrovich; Morard, Guillaume; Ohashi, Haruhiko; Okuchi, Takuo; Pikuz, Tatiana; Purevjav, Narangoo; Sakata, Osami; Sano, Yasuhisa; Sato, Tomoko; Sekine, Toshimori; Seto, Yusuke; Takahashi, Kenjiro; Tanaka, Kazuo; Tange, Yoshinori; Togashi, Tadashi; Tono, Kensuke; Umeda, Yuhei; Vinci, Tommaso; Yabashi, Makina; Yabuuchi, Toshinori; Yamauchi, Kazuto; Yumoto, Hirokatsu; Kodama, Ryosuke

2017-01-01

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power optical laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of ε. ~2 × 108 to 3.5 × 108 s−1. A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions. PMID:28630909

Dynamic mechanical analysis of compatibilizer effect on the mechanical properties of wood flour/high-density polyethylene composites

Treesearch

Mehdi Behzad; Medhi Tajvidi; Ghanbar Ehrahimi; Robert H. Falk

2004-01-01

In this study, effect of MAPE (maleic anhydride polyethylene) as the compatibilizer on the mechanical properties of wood-flour polyethylene composites has been investigated by using Dynamic Mechanical Analysis (DMA). Composites were made at 25% and 50% by weight fiber contents and 1% and 2% compatibilizer respectively. Controls were also made at the same fiber contents...

Reaction Dynamics at Liquid Interfaces

NASA Astrophysics Data System (ADS)

Benjamin, Ilan

2015-04-01

The liquid interface is a narrow, highly anisotropic region, characterized by rapidly varying density, polarity, and molecular structure. I review several aspects of interfacial solvation and show how these affect reactivity at liquid/liquid interfaces. I specifically consider ion transfer, electron transfer, and SN2 reactions, showing that solvent effects on these reactions can be understood by examining the unique structure and dynamics of the liquid interface region.

An Integrated Study on a Novel High Temperature High Entropy Alloy

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

Yang, Shizhong

2016-12-31

This report summarizes our recent works of theoretical modeling, simulation, and experimental validation of the simulation results on the new refractory high entropy alloy (HEA) design and oxide doped refractory HEA research. The simulation of the stability and thermal dynamics simulation on potential thermal stable candidates were performed and related HEA with oxide doped samples were synthesized and characterized. The HEA ab initio density functional theory and molecular dynamics physical property simulation methods and experimental texture validation techniques development, achievements already reached, course work development, students and postdoc training, and future improvement research directions are briefly introduced.

Penetration Resistance of Armor Ceramics: Dimensional Analysis and Property Correlations

DTIC Science & Technology

2015-08-01

been reported in experimental studies. Particular ceramics analyzed here are low- and high-purity alumina, aluminum nitride, boron carbide, silicon...analyzed here are low- and high-purity alumina, aluminum nitride, boron carbide, silicon carbide, and titanium diboride. Data for penetration depth...include high hardness, high elastic stiffness, high strengths (static/dynamic compressive, shear, and bending), and low density relative to armor steels

Predicting fluctuations-caused regime shifts in a time delayed dynamics of an invading species

NASA Astrophysics Data System (ADS)

Xie, Qingshuang; Wang, Tonghuan; Zeng, Chunhua; Dong, Xiaohui; Guan, Lin

2018-03-01

In this paper, we investigate early warning signals (EWS) of regime shifts in a density-dependent invading population model with time delay, in which the population density is assumed to be disturbed by intrinsic and extrinsic fluctuations. It is shown that the time delay and noises can cause the regime shifts between low and high population density states. The regime shift time (RST) as a function of noise intensity exhibits a maximum, which identifies the signature of the noise-enhanced stability of the low density state, while the time delay weakens the stability of the low density state. Applying the Kramers time technique, we also discuss the intersection point of the RST between low and high population density states, i.e., a critical point in the RST is found. Therefore, the critical point may give an EWS of regime shifts from one alternative state to another one for the changes in the noise parameters and time delay.

X-ray scattering measurements of dissociation-induced metallization of dynamically compressed deuterium

DOE PAGES

Davis, P.; Döppner, T.; Rygg, J. R.; ...

2016-04-18

Hydrogen, the simplest element in the universe, has a surprisingly complex phase diagram. Because of applications to planetary science, inertial confinement fusion and fundamental physics, its high-pressure properties have been the subject of intense study over the past two decades. While sophisticated static experiments have probed hydrogen’s structure at ever higher pressures, studies examining the higher-temperature regime using dynamic compression have mostly been limited to optical measurement techniques. Here we present spectrally resolved x-ray scattering measurements from plasmons in dynamically compressed deuterium. Combined with Compton scattering, and velocity interferometry to determine shock pressure and mass density, this allows us tomore » extract ionization state as a function of compression. Furthermore, the onset of ionization occurs close in pressure to where density functional theory-molecular dynamics (DFT-MD) simulations show molecular dissociation, suggesting hydrogen transitions from a molecular and insulating fluid to a conducting state without passing through an intermediate atomic phase.« less

Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

PubMed

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.

Intermediate disturbance in experimental landscapes improves persistence of beetle metapopulations.

PubMed

Govindan, Byju N; Feng, Zhilan; DeWoody, Yssa D; Swihart, Robert K

2015-03-01

Human-dominated landscapes often feature patches that fluctuate in suitability through space and time, but there is little experimental evidence relating the consequences of dynamic patches for species persistence. We used a spatially and temporally dynamic metapopulation model to assess and compare metapopulation capacity and persistence for red flour beetles (Tribolium castaneum) in experimental landscapes differentiated by resource structure, patch dynamics (destruction and restoration), and connectivity. High connectivity increased the colonization rate of beetles, but this effect was less pronounced in heterogeneous relative to homogeneous landscapes. Higher connectivity and faster patch dynamics increased extinction rates in landscapes. Lower connectivity promoted density-dependent emigration. Heterogeneous landscapes containing patches of different carrying capacity enhanced landscape-level occupancy probability. The highest metapopulation capacity and persistence was observed in landscapes with heterogeneous patches, low connectivity, and slow patch dynamics. Control landscapes with no patch dynamics exhibited rapid declines in abundance and approached extinction due to increased adult mortality in the matrix, higher pupal cannibalism by adults, and extremely low rates of exchange between remaining habitable patches. Our results highlight the role of intermediate patch dynamics, intermediate connectivity, and the nature of density dependence of emigration for persistence of species in heterogeneous landscapes. Our results also demonstrate the importance of incorporating local dynamics into the estimation of metapopulation capacity for conservation planning.

Initial glenoid fixation using two different reverse shoulder designs with an equivalent center of rotation in a low-density and high-density bone substitute.

PubMed

Stroud, Nicholas J; DiPaola, Matthew J; Martin, Brian L; Steiler, Cindy A; Flurin, Pierre-Henri; Wright, Thomas W; Zuckerman, Joseph D; Roche, Christopher P

2013-11-01

Numerous glenoid implant designs have been introduced into the global marketplace in recent years; however, little comparative biomechanical data exist to substantiate one design consideration over another. This study dynamically evaluated reverse shoulder glenoid baseplate fixation and compared the initial fixation associated with 2 reverse shoulder designs having an equivalent center of rotation in low-density and high-density bone substitute substrates. Significant differences in fixation were observed between implant designs, where the circular-porous reverse shoulder was associated with approximately twice the micromotion per equivalent test than the oblong-grit-blasted design. Additionally, 6 of the 7 circular-porous reverse shoulders failed catastrophically in the low-density bone model at an average of 2603 ± 981 cycles. None of the oblong-grit-blasted designs failed in the low-or high-density bone models and none of the circular-porous designs failed in the high-density bone models after 10,000 cycles of loading. These results demonstrate that significant differences in initial fixation exist between reverse shoulder implants having an equivalent center of rotation and suggest that design parameters, other than the position of the center of rotation, significantly affect fixation in low-density and high-density polyurethane bone substitutes. Subtle changes in glenoid baseplate design can dramatically affect fixation, particularly in low-density bone substitutes that are intended to simulate the bone quality of the recipient population for reverse shoulders. Copyright © 2013 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Mosby, Inc. All rights reserved.

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

Zhu, Yuanyuan; Sushko, Peter V.; Melzer, Daniel

A novel pathway of increasing the surface density of catalytically active oxygen radical sites on a MoVTeNb oxide (M1 phase) catalyst during alkane oxidative dehydrogenation is reported. The novel sites form when a fraction of Te4+ is reduced and emitted from the M1 crystals under catalytic operating conditions, without compromising structural integrity of the catalyst framework. Density functional theory calculations show this Te reduction induces multiple inter-related electron transfers, and the associated cooperative effects lead to the formation of O- radicals. The in situ observations identify complex dynamic changes in the catalyst on an atomistic level, highlighting a new waymore » to tailor structure and dynamics for highly active catalysts.« less

AB INITIO Molecular Dynamics Simulations of Water Under Static and Shock Compressed Conditions

NASA Astrophysics Data System (ADS)

Goldman, Nir; Fried, Laurence E.; Mundy, Christopher J.; Kuo, I.-F. William; Curioni, Alessandro; Reed, Evan J.

2007-12-01

We report herein a series of ab initio simulations of water under both static and shocked conditions. We have calculated the coherent x-ray scattering intensity of several phases of water under high pressure, using ab initio Density Functional Theory (DFT). We provide new atomic scattering form factors for water at extreme conditions, which take into account frequently neglected changes in ionic charge and electron delocalization. We have also simulated liquid water undergoing shock loading of velocities from 5-11 km/s using the Multi-Scale Shock Technique (MSST). We show that Density Functional Theory (DFT) molecular dynamics results compare extremely well to experiments on the water shock Hugoniot.

Effects of Shoreline Dynamics on Saltmarsh Vegetation

PubMed Central

Sharma, Shailesh; Goff, Joshua; Moody, Ryan M.; McDonald, Ashley; Byron, Dorothy; Heck, Kenneth L.; Powers, Sean P.; Ferraro, Carl; Cebrian, Just

2016-01-01

We evaluated the impact of shoreline dynamics on fringing vegetation density at mid- and low-marsh elevations at a high-energy site in the northern Gulf of Mexico. Particularly, we selected eight unprotected shoreline stretches (75 m each) at a historically eroding site and measured their inter-annual lateral movement rate using the DSAS method for three consecutive years. We observed high inter-annual variability of shoreline movement within the selected stretches. Specifically, shorelines retrograded (eroded) in year 1 and year 3, whereas, in year 2, shorelines advanced seaward. Despite shoreline advancement in year 2, an overall net erosion was recorded during the survey period. Additionally, vegetation density generally declined at both elevations during the survey period; however, probably due to their immediate proximity with lateral erosion agents (e.g., waves, currents), marsh grasses at low-elevation exhibited abrupt reduction in density, more so than grasses at mid elevation. Finally, contrary to our hypothesis, despite shoreline advancement, vegetation density did not increase correspondingly in year 2 probably due to a lag in response from biota. More studies in other coastal systems may advance our knowledge of marsh edge systems; however, we consider our results could be beneficial to resource managers in preparing protection plans for coastal wetlands against chronic stressors such as lateral erosion. PMID:27442515

Effects of Shoreline Dynamics on Saltmarsh Vegetation.

PubMed

Sharma, Shailesh; Goff, Joshua; Moody, Ryan M; McDonald, Ashley; Byron, Dorothy; Heck, Kenneth L; Powers, Sean P; Ferraro, Carl; Cebrian, Just

2016-01-01

We evaluated the impact of shoreline dynamics on fringing vegetation density at mid- and low-marsh elevations at a high-energy site in the northern Gulf of Mexico. Particularly, we selected eight unprotected shoreline stretches (75 m each) at a historically eroding site and measured their inter-annual lateral movement rate using the DSAS method for three consecutive years. We observed high inter-annual variability of shoreline movement within the selected stretches. Specifically, shorelines retrograded (eroded) in year 1 and year 3, whereas, in year 2, shorelines advanced seaward. Despite shoreline advancement in year 2, an overall net erosion was recorded during the survey period. Additionally, vegetation density generally declined at both elevations during the survey period; however, probably due to their immediate proximity with lateral erosion agents (e.g., waves, currents), marsh grasses at low-elevation exhibited abrupt reduction in density, more so than grasses at mid elevation. Finally, contrary to our hypothesis, despite shoreline advancement, vegetation density did not increase correspondingly in year 2 probably due to a lag in response from biota. More studies in other coastal systems may advance our knowledge of marsh edge systems; however, we consider our results could be beneficial to resource managers in preparing protection plans for coastal wetlands against chronic stressors such as lateral erosion.

Dynamic plasmonic colour display

NASA Astrophysics Data System (ADS)

Duan, Xiaoyang; Kamin, Simon; Liu, Na

2017-02-01

Plasmonic colour printing based on engineered metasurfaces has revolutionized colour display science due to its unprecedented subwavelength resolution and high-density optical data storage. However, advanced plasmonic displays with novel functionalities including dynamic multicolour printing, animations, and highly secure encryption have remained in their infancy. Here we demonstrate a dynamic plasmonic colour display technique that enables all the aforementioned functionalities using catalytic magnesium metasurfaces. Controlled hydrogenation and dehydrogenation of the constituent magnesium nanoparticles, which serve as dynamic pixels, allow for plasmonic colour printing, tuning, erasing and restoration of colour. Different dynamic pixels feature distinct colour transformation kinetics, enabling plasmonic animations. Through smart material processing, information encoded on selected pixels, which are indiscernible to both optical and scanning electron microscopies, can only be read out using hydrogen as a decoding key, suggesting a new generation of information encryption and anti-counterfeiting applications.

Dynamic plasmonic colour display.

PubMed

Duan, Xiaoyang; Kamin, Simon; Liu, Na

2017-02-24

Plasmonic colour printing based on engineered metasurfaces has revolutionized colour display science due to its unprecedented subwavelength resolution and high-density optical data storage. However, advanced plasmonic displays with novel functionalities including dynamic multicolour printing, animations, and highly secure encryption have remained in their infancy. Here we demonstrate a dynamic plasmonic colour display technique that enables all the aforementioned functionalities using catalytic magnesium metasurfaces. Controlled hydrogenation and dehydrogenation of the constituent magnesium nanoparticles, which serve as dynamic pixels, allow for plasmonic colour printing, tuning, erasing and restoration of colour. Different dynamic pixels feature distinct colour transformation kinetics, enabling plasmonic animations. Through smart material processing, information encoded on selected pixels, which are indiscernible to both optical and scanning electron microscopies, can only be read out using hydrogen as a decoding key, suggesting a new generation of information encryption and anti-counterfeiting applications.

Dynamic plasmonic colour display

PubMed Central

Duan, Xiaoyang; Kamin, Simon; Liu, Na

2017-01-01

Plasmonic colour printing based on engineered metasurfaces has revolutionized colour display science due to its unprecedented subwavelength resolution and high-density optical data storage. However, advanced plasmonic displays with novel functionalities including dynamic multicolour printing, animations, and highly secure encryption have remained in their infancy. Here we demonstrate a dynamic plasmonic colour display technique that enables all the aforementioned functionalities using catalytic magnesium metasurfaces. Controlled hydrogenation and dehydrogenation of the constituent magnesium nanoparticles, which serve as dynamic pixels, allow for plasmonic colour printing, tuning, erasing and restoration of colour. Different dynamic pixels feature distinct colour transformation kinetics, enabling plasmonic animations. Through smart material processing, information encoded on selected pixels, which are indiscernible to both optical and scanning electron microscopies, can only be read out using hydrogen as a decoding key, suggesting a new generation of information encryption and anti-counterfeiting applications. PMID:28232722

Exciton Dynamics, Transport, and Annihilation in Atomically Thin Two-Dimensional Semiconductors.

PubMed

Yuan, Long; Wang, Ti; Zhu, Tong; Zhou, Mingwei; Huang, Libai

2017-07-20

Large binding energy and unique exciton fine structure make the transition metal dichalcogenides (TMDCs) an ideal platform to study exciton behaviors in two-dimensional (2D) systems. While excitons in these systems have been extensively researched, there currently lacks a consensus on mechanisms that control dynamics. In this Perspective, we discuss extrinsic and intrinsic factors in exciton dynamics, transport, and annihilation in 2D TMDCs. Intrinsically, dark and bright exciton energy splitting is likely to play a key role in modulating the dynamics. Extrinsically, defect scattering is prevalent in single-layer TMDCs, which leads to rapid picosecond decay and limits exciton transport. The exciton-exciton annihilation process in single-layer TMDCs is highly efficient, playing an important role in the nonradiative recombination rate in the high exciton density regime. Future challenges and opportunities to control exciton dynamics are discussed.

Influence of carrier density on the electronic cooling channels of bilayer graphene

NASA Astrophysics Data System (ADS)

Limmer, T.; Houtepen, A. J.; Niggebaum, A.; Tautz, R.; Da Como, E.

2011-09-01

We study the electronic cooling dynamics in a single flake of bilayer graphene by femtosecond transient absorption probing the photon-energy range 0.25-1.3 eV. From the transients, we extract the carrier cooling curves for different initial temperatures and densities of the photoexcited electrons and holes. Two regimes of carrier cooling, dominated by optical and acoustic phonons emission, are clearly identified. For increasing carrier density, the crossover between the two regimes occurs at larger carrier temperatures, since cooling via optical phonons experiences a bottleneck. Acoustic phonons, which are less sensitive to saturation, show an increasing contribution at high density.

Cosmology in one dimension: Vlasov dynamics.

PubMed

Manfredi, Giovanni; Rouet, Jean-Louis; Miller, Bruce; Shiozawa, Yui

2016-04-01

Numerical simulations of self-gravitating systems are generally based on N-body codes, which solve the equations of motion of a large number of interacting particles. This approach suffers from poor statistical sampling in regions of low density. In contrast, Vlasov codes, by meshing the entire phase space, can reach higher accuracy irrespective of the density. Here, we perform one-dimensional Vlasov simulations of a long-standing cosmological problem, namely, the fractal properties of an expanding Einstein-de Sitter universe in Newtonian gravity. The N-body results are confirmed for high-density regions and extended to regions of low matter density, where the N-body approach usually fails.

High-resolution dynamic pressure sensor array based on piezo-phototronic effect tuned photoluminescence imaging.

PubMed

Peng, Mingzeng; Li, Zhou; Liu, Caihong; Zheng, Qiang; Shi, Xieqing; Song, Ming; Zhang, Yang; Du, Shiyu; Zhai, Junyi; Wang, Zhong Lin

2015-03-24

A high-resolution dynamic tactile/pressure display is indispensable to the comprehensive perception of force/mechanical stimulations such as electronic skin, biomechanical imaging/analysis, or personalized signatures. Here, we present a dynamic pressure sensor array based on pressure/strain tuned photoluminescence imaging without the need for electricity. Each sensor is a nanopillar that consists of InGaN/GaN multiple quantum wells. Its photoluminescence intensity can be modulated dramatically and linearly by small strain (0-0.15%) owing to the piezo-phototronic effect. The sensor array has a high pixel density of 6350 dpi and exceptional small standard deviation of photoluminescence. High-quality tactile/pressure sensing distribution can be real-time recorded by parallel photoluminescence imaging without any cross-talk. The sensor array can be inexpensively fabricated over large areas by semiconductor product lines. The proposed dynamic all-optical pressure imaging with excellent resolution, high sensitivity, good uniformity, and ultrafast response time offers a suitable way for smart sensing, micro/nano-opto-electromechanical systems.

Selection of high temperature thermal energy storage materials for advanced solar dynamic space power systems

NASA Technical Reports Server (NTRS)

Lacy, Dovie E.; Coles-Hamilton, Carolyn; Juhasz, Albert

1987-01-01

Under the direction of NASA's Office of Aeronautics and Technology (OAST), the NASA Lewis Research Center has initiated an in-house thermal energy storage program to identify combinations of phase change thermal energy storage media for use with a Brayton and Stirling Advanced Solar Dynamic (ASD) space power system operating between 1070 and 1400 K. A study has been initiated to determine suitable combinations of thermal energy storage (TES) phase change materials (PCM) that result in the smallest and lightest weight ASD power system possible. To date the heats of fusion of several fluoride salt mixtures with melting points greater than 1025 K have been verified experimentally. The study has indicated that these salt systems produce large ASD systems because of their inherent low thermal conductivity and low density. It is desirable to have PCMs with high densities and high thermal conductivities. Therefore, alternate phase change materials based on metallic alloy systems are also being considered as possible TES candidates for future ASD space power systems.

Bacterial growth, flow, and mixing shape human gut microbiota density and composition.

PubMed

Arnoldini, Markus; Cremer, Jonas; Hwa, Terence

2018-03-13

The human gut microbiota is highly dynamic, and host physiology and diet exert major influences on its composition. In our recent study, we integrated new quantitative measurements on bacterial growth physiology with a reanalysis of published data on human physiology to build a comprehensive modeling framework. This can generate predictions of how changes in different host factors influence microbiota composition. For instance, hydrodynamic forces in the colon, along with colonic water absorption that manifests as transit time, exert a major impact on microbiota density and composition. This can be mechanistically explained by their effect on colonic pH which directly affects microbiota competition for food. In this addendum, we describe the underlying analysis in more detail. In particular, we discuss the mixing dynamics of luminal content by wall contractions and its implications for bacterial growth and density, as well as the broader implications of our insights for the field of gut microbiota research.

Quantum molecular dynamics of warm dense iron and a five-phase equation of state

NASA Astrophysics Data System (ADS)

Sjostrom, Travis; Crockett, Scott

2018-05-01

Through quantum molecular dynamics (QMD), utilizing both Kohn-Sham (orbital-based) and orbital-free density functional theory, we calculate the equation of state of warm dense iron in the density range 7 -30 g/cm 3 and temperatures from 1 to 100 eV. A critical examination of the iron pseudopotential is made, from which we find a significant improvement at high pressure to the previous QMD calculations of Wang et al. [Phys. Rev. E 89, 023101 (2014), 10.1103/PhysRevE.89.023101]. Our results also significantly extend the ranges of density and temperature that were attempted in that prior work. We calculate the shock Hugoniot and find very good agreement with experimental results to pressures over 20 TPa. These results are then incorporated with previous studies to generate a five-phase equation of state for iron.

Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

PubMed

Yanai, Takeshi; Kurashige, Yuki; Neuscamman, Eric; Chan, Garnet Kin-Lic

2010-01-14

We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu(2)O(2)](2+) core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu(2)O(2)](2+).

Local stability of galactic discs in modified dynamics

NASA Astrophysics Data System (ADS)

Shenavar, Hossein; Ghafourian, Neda

2018-04-01

The local stability of stellar and fluid discs, under a new modified dynamical model, is surveyed by using WKB approximation. The exact form of the modified Toomre criterion is derived for both types of systems and it is shown that the new model is, in all situations, more locally stable than Newtonian model. In addition, it has been proved that the central surface density of the galaxies plays an important role in the local stability in the sense that low surface brightness (LSB) galaxies are more stable than high surface brightness (HSBs). Furthermore, the growth rate in the new model is found to be lower than the Newtonian one. We found that, according to this model, the local instability is related to the ratio of surface density of the disc to a critical surface density Σcrit. We provide observational evidence to support this result based on star formation rate in HSBs and LSBs.

Dynamical and electronic properties of rare-earth aluminides

NASA Astrophysics Data System (ADS)

Sharma, Ramesh; Sharma, Yamini

2018-04-01

Rare-earth dialuminides belong to a large family of compounds that stabilize in cubic MgCu2 structure. A large number of these compounds are superconducting, amongst these YAl2, LaAl2 and LuAl2 have been chosen as reference materials for studying 4f-electron systems. In order to understand the role of the RE atoms, we have applied the FPLAPW and PAW methods within the density functional theory (DFT). Our results show that the contribution of RE atoms is dominant in both electronic structure and phonon dispersion. The anomalous behavior of superconducting LaAl2 is well explained from an analysis of the electron localization function (ELF), Bader charge analysis, density of electronic states as well as the dynamical phonon vibrational modes. The interaction of phonon modes contributed by low frequency vibrations of La atoms with the high density La 5d-states at EF in LaAl2 lead to strong electron-phonon coupling.

Bulk density of small meteoroids

NASA Astrophysics Data System (ADS)

Kikwaya, J.-B.; Campbell-Brown, M.; Brown, P. G.

2011-06-01

Aims: Here we report on precise metric and photometric observations of 107 optical meteors, which were simultaneously recorded at multiple stations using three different intensified video camera systems. The purpose is to estimate bulk meteoroid density, link small meteoroids to their parent bodies based on dynamical and physical density values expected for different small body populations, to better understand and explain the dynamical evolution of meteoroids after release from their parent bodies. Methods: The video systems used had image sizes ranging from 640 × 480 to 1360 × 1036 pixels, with pixel scales from 0.01° per pixel to 0.05° per pixel, and limiting meteor magnitudes ranging from Mv = +2.5 to +6.0. We find that 78% of our sample show noticeable deceleration, allowing more robust constraints to be placed on density estimates. The density of each meteoroid is estimated by simultaneously fitting the observed deceleration and lightcurve using a model based on thermal fragmentation, conservation of energy and momentum. The entire phase space of the model free parameters is explored for each event to find ranges of parameters which fit the observations within the measurement uncertainty. Results: (a) We have analysed our data by first associating each of our events with one of the five meteoroid classes. The average density of meteoroids whose orbits are asteroidal and chondritic (AC) is 4200 kg m-3 suggesting an asteroidal parentage, possibly related to the high-iron content population. Meteoroids with orbits belonging to Jupiter family comets (JFCs) have an average density of 3100 ± 300 kg m-3. This high density is found for all meteoroids with JFC-like orbits and supports the notion that the refractory material reported from the Stardust measurements of 81P/Wild 2 dust is common among the broader JFC population. This high density is also the average bulk density for the 4 meteoroids with orbits belonging to the Ecliptic shower-type class (ES) also related to JFCs. Both categories we suggest are chondritic based on their high bulk density. Meteoroids of HT (Halley type) orbits have a minimum bulk density value of 360+400-100 kg m-3 and a maximum value of 1510+400-900 kg m-3. This is consistent with many previous works which suggest bulk cometary meteoroid density is low. SA (Sun-approaching)-type meteoroids show a density spread from 1000 kg m-3 to 4000 kg m-3, reflecting multiple origins. (b) We found two different meteor showers in our sample: Perseids (10 meteoroids, ~11% of our sample) with an average bulk density of 620 kg m-3 and Northern Iota Aquariids (4 meteoroids) with an average bulk density of 3200 kg m-3, consistent with the notion that the NIA derive from 2P/Encke.

Stochastic population dynamics of a montane ground-dwelling squirrel.

PubMed

Hostetler, Jeffrey A; Kneip, Eva; Van Vuren, Dirk H; Oli, Madan K

2012-01-01

Understanding the causes and consequences of population fluctuations is a central goal of ecology. We used demographic data from a long-term (1990-2008) study and matrix population models to investigate factors and processes influencing the dynamics and persistence of a golden-mantled ground squirrel (Callospermophilus lateralis) population, inhabiting a dynamic subalpine habitat in Colorado, USA. The overall deterministic population growth rate λ was 0.94±SE 0.05 but it varied widely over time, ranging from 0.45±0.09 in 2006 to 1.50±0.12 in 2003, and was below replacement (λ<1) for 9 out of 18 years. The stochastic population growth rate λ(s) was 0.92, suggesting a declining population; however, the 95% CI on λ(s) included 1.0 (0.52-1.60). Stochastic elasticity analysis showed that survival of adult females, followed by survival of juvenile females and litter size, were potentially the most influential vital rates; analysis of life table response experiments revealed that the same three life history variables made the largest contributions to year-to year changes in λ. Population viability analysis revealed that, when the influences of density dependence and immigration were not considered, the population had a high (close to 1.0 in 50 years) probability of extinction. However, probability of extinction declined to as low as zero when density dependence and immigration were considered. Destabilizing effects of stochastic forces were counteracted by regulating effects of density dependence and rescue effects of immigration, which allowed our study population to bounce back from low densities and prevented extinction. These results suggest that dynamics and persistence of our study population are determined synergistically by density-dependence, stochastic forces, and immigration.

Stochastic Population Dynamics of a Montane Ground-Dwelling Squirrel

PubMed Central

Hostetler, Jeffrey A.; Kneip, Eva; Van Vuren, Dirk H.; Oli, Madan K.

2012-01-01

Understanding the causes and consequences of population fluctuations is a central goal of ecology. We used demographic data from a long-term (1990–2008) study and matrix population models to investigate factors and processes influencing the dynamics and persistence of a golden-mantled ground squirrel (Callospermophilus lateralis) population, inhabiting a dynamic subalpine habitat in Colorado, USA. The overall deterministic population growth rate λ was 0.94±SE 0.05 but it varied widely over time, ranging from 0.45±0.09 in 2006 to 1.50±0.12 in 2003, and was below replacement (λ<1) for 9 out of 18 years. The stochastic population growth rate λs was 0.92, suggesting a declining population; however, the 95% CI on λs included 1.0 (0.52–1.60). Stochastic elasticity analysis showed that survival of adult females, followed by survival of juvenile females and litter size, were potentially the most influential vital rates; analysis of life table response experiments revealed that the same three life history variables made the largest contributions to year-to year changes in λ. Population viability analysis revealed that, when the influences of density dependence and immigration were not considered, the population had a high (close to 1.0 in 50 years) probability of extinction. However, probability of extinction declined to as low as zero when density dependence and immigration were considered. Destabilizing effects of stochastic forces were counteracted by regulating effects of density dependence and rescue effects of immigration, which allowed our study population to bounce back from low densities and prevented extinction. These results suggest that dynamics and persistence of our study population are determined synergistically by density-dependence, stochastic forces, and immigration. PMID:22479616

Disordered cellular automaton traffic flow model: phase separated state, density waves and self organized criticality

NASA Astrophysics Data System (ADS)

Fourrate, K.; Loulidi, M.

2006-01-01

We suggest a disordered traffic flow model that captures many features of traffic flow. It is an extension of the Nagel-Schreckenberg (NaSch) stochastic cellular automata for single line vehicular traffic model. It incorporates random acceleration and deceleration terms that may be greater than one unit. Our model leads under its intrinsic dynamics, for high values of braking probability pr, to a constant flow at intermediate densities without introducing any spatial inhomogeneities. For a system of fast drivers pr→0, the model exhibits a density wave behavior that was observed in car following models with optimal velocity. The gap of the disordered model we present exhibits, for high values of pr and random deceleration, at a critical density, a power law distribution which is a hall mark of a self organized criticality phenomena.

Calculation of surface potentials at the silica–water interface using molecular dynamics: Challenges and opportunities

NASA Astrophysics Data System (ADS)

Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

2018-04-01

Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica–water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3

NASA Astrophysics Data System (ADS)

Vaitheeswaran, G.; Kanchana, V.; Zhang, Xinxin; Ma, Yanming; Svane, A.; Christensen, N. E.

2016-08-01

A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent GW approximation. The GW calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

Rayleigh Scattering Diagnostic for Dynamic Measurement of Velocity Fluctuations in High Speed Jets

NASA Technical Reports Server (NTRS)

Seasholtz, Richard G.; Panda, Jayanta; Elam, Kristie A.

2001-01-01

A flow diagnostic technique based on the molecular Rayleigh scattering of laser light is used to obtain dynamic density and velocity data in a high speed flow. The technique is based on analyzing the Rayleigh scattered light with a Fabry-Perot interferometer used in the static, imaging mode. An analysis is presented that established a lower bound for measurement uncertainty of about 20 m/sec for individual velocity measurements obtained in a 100 microsecond time interval. Software and hardware interfaces were developed to allow computer control of all aspects of the experiment and data acquisition. The signals from three photomultiplier tubes were simultaneously recorded using photon counting at a 10 kHz sampling rate and 10 second recording periods. Density and velocity data, including distribution functions and power spectra, taken in a Mach 0.8 free jet, are presented.

Relationships between field-aligned currents, electric fields, and particle precipitation as observed by Dynamics Explorer-2

NASA Technical Reports Server (NTRS)

Sugiura, M.; Iyemori, T.; Hoffman, R. A.; Maynard, N. C.; Burch, J. L.; Winningham, J. D.

1984-01-01

The relationships between field-aligned currents, electric fields, and particle fluxes are determined using observations from the polar orbiting low-altitude satellite Dynamics Explorer-2. It is shown that the north-south electric field and the east-west magnetic field components are usually highly correlated in the field-aligned current regions. This proportionality observationally proves that the field-aligned current equals the divergence of the height-integrated ionospheric Pedersen current in the meridional plane to a high degree of approximation. As a general rule, in the evening sector the upward field-aligned currents flow in the boundary plasma sheet region and the downward currents flow in the central plasma sheet region. The current densities determined independently from the plasma and magnetic field measurements are compared. Although the current densities deduced from the two methods are in general agreement, the degree and extent of the agreement vary in individual cases.

Relationships between field-aligned currents, electric fields and particle precipitation as observed by dynamics Explorer-2

NASA Technical Reports Server (NTRS)

Sugiura, M.; Iyemori, T.; Hoffman, R. A.; Maynard, N. C.; Burch, J. L.; Winningham, J. D.

1983-01-01

The relationships between field-aligned currents, electric fields, and particle fluxes are determined using observations from the polar orbiting low-altitude satellite Dynamics Explorer-2. It is shown that the north-south electric field and the east-west magnetic field components are usually highly correlated in the field-aligned current regions. This proportionality observationally proves that the field-aligned current equals the divergence of the height-integrated ionospheric Pedersen current in the meridional plane to a high degree of approximation. As a general rule, in the evening sector the upward field-aligned currents flow in the boundary plasma sheet region and the downward currents flow in the central plasma sheet region. The current densities determined independently from the plasma and magnetic field measurements are compared. Although the current densities deduced from the two methods are in general agreement, the degree and extent of the agreement vary in individual cases.

Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3.

PubMed

Vaitheeswaran, G; Kanchana, V; Zhang, Xinxin; Ma, Yanming; Svane, A; Christensen, N E

2016-08-10

A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent [Formula: see text] approximation. The [Formula: see text] calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

Effects of Tamoxifen and oestrogen on histology and radiographic density in high and low mammographic density human breast tissues maintained in murine tissue engineering chambers.

PubMed

Chew, G L; Huo, C W; Huang, D; Blick, T; Hill, P; Cawson, J; Frazer, H; Southey, M C; Hopper, J L; Britt, K; Henderson, M A; Haviv, I; Thompson, E W

2014-11-01

Mammographic density (MD) is a strong risk factor for breast cancer. It is altered by exogenous endocrine treatments, including hormone replacement therapy and Tamoxifen. Such agents also modify breast cancer (BC) risk. However, the biomolecular basis of how systemic endocrine therapy modifies MD and MD-associated BC risk is poorly understood. This study aims to determine whether our xenograft biochamber model can be used to study the effectiveness of therapies aimed at modulating MD, by examine the effects of Tamoxifen and oestrogen on histologic and radiographic changes in high and low MD tissues maintained within the biochamber model. High and low MD human tissues were precisely sampled under radiographic guidance from prophylactic mastectomy fresh specimens of high-risk women, then inserted into separate vascularized murine biochambers. The murine hosts were concurrently implanted with Tamoxifen, oestrogen or placebo pellets, and the high and low MD biochamber tissues maintained in the murine host environment for 3 months, before the high and low MD biochamber tissues were harvested for histologic and radiographic analyses. The radiographic density of high MD tissue maintained in murine biochambers was decreased in Tamoxifen-treated mice compared to oestrogen-treated mice (p = 0.02). Tamoxifen treatment of high MD tissue in SCID mice led to a decrease in stromal (p = 0.009), and an increase in adipose (p = 0.023) percent areas, compared to placebo-treated mice. No histologic or radiographic differences were observed in low MD biochamber tissue with any treatment. High MD biochamber tissues maintained in mice implanted with Tamoxifen, oestrogen or placebo pellets had dynamic and measurable histologic compositional and radiographic changes. This further validates the dynamic nature of the MD xenograft model, and suggests the biochamber model may be useful for assessing the underlying molecular pathways of Tamoxifen-reduced MD, and in testing of other pharmacologic interventions in a preclinical model of high MD.

Structural Mechanics and Dynamics Branch

NASA Technical Reports Server (NTRS)

Stefko, George

2003-01-01

The 2002 annual report of the Structural Mechanics and Dynamics Branch reflects the majority of the work performed by the branch staff during the 2002 calendar year. Its purpose is to give a brief review of the branch s technical accomplishments. The Structural Mechanics and Dynamics Branch develops innovative computational tools, benchmark experimental data, and solutions to long-term barrier problems in the areas of propulsion aeroelasticity, active and passive damping, engine vibration control, rotor dynamics, magnetic suspension, structural mechanics, probabilistics, smart structures, engine system dynamics, and engine containment. Furthermore, the branch is developing a compact, nonpolluting, bearingless electric machine with electric power supplied by fuel cells for future "more electric" aircraft. An ultra-high-power-density machine that can generate projected power densities of 50 hp/lb or more, in comparison to conventional electric machines, which generate usually 0.2 hp/lb, is under development for application to electric drives for propulsive fans or propellers. In the future, propulsion and power systems will need to be lighter, to operate at higher temperatures, and to be more reliable in order to achieve higher performance and economic viability. The Structural Mechanics and Dynamics Branch is working to achieve these complex, challenging goals.

Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

NASA Astrophysics Data System (ADS)

Miyamoto, Yoshiyuki; Rubio, Angel

2018-04-01

We review our recent developments in the ab initio simulation of excited-state dynamics within the framework of time-dependent density functional theory (TDDFT). Our targets range from molecules to 2D materials, although the methods are general and can be applied to any other finite and periodic systems. We discuss examples of excited-state dynamics obtained by real-time TDDFT coupled with molecular dynamics (MD) and the Ehrenfest approximation, including photoisomerization in molecules, photoenhancement of the weak interatomic attraction of noble gas atoms, photoenhancement of the weak interlayer interaction of 2D materials, pulse-laser-induced local bond breaking of adsorbed atoms on 2D sheets, modulation of UV light intensity by graphene nanoribbons at terahertz frequencies, and collision of high-speed ions with the 2D material to simulate the images taken by He ion microscopy. We illustrate how the real-time TDDFT approach is useful for predicting and understanding non-equilibrium dynamics in condensed matter. We also discuss recent developments that address the excited-state dynamics of systems out of equilibrium and future challenges in this fascinating field of research.

High-Strength Nanotwinned Al Alloys with 9R Phase.

PubMed

Li, Qiang; Xue, Sichuang; Wang, Jian; Shao, Shuai; Kwong, Anthony H; Giwa, Adenike; Fan, Zhe; Liu, Yue; Qi, Zhimin; Ding, Jie; Wang, Han; Greer, Julia R; Wang, Haiyan; Zhang, Xinghang

2018-03-01

Light-weight aluminum (Al) alloys have widespread applications. However, most Al alloys have inherently low mechanical strength. Nanotwins can induce high strength and ductility in metallic materials. Yet, introducing high-density growth twins into Al remains difficult due to its ultrahigh stacking-fault energy. In this study, it is shown that incorporating merely several atomic percent of Fe solutes into Al enables the formation of nanotwinned (nt) columnar grains with high-density 9R phase in Al(Fe) solid solutions. The nt Al-Fe alloy coatings reach a maximum hardness of ≈5.5 GPa, one of the strongest binary Al alloys ever created. In situ uniaxial compressions show that the nt Al-Fe alloys populated with 9R phase have flow stress exceeding 1.5 GPa, comparable to high-strength steels. Molecular dynamics simulations reveal that high strength and hardening ability of Al-Fe alloys arise mainly from the high-density 9R phase and nanoscale grain sizes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mechanics of Nanostructured Porous Silica Aerogel Resulting from Molecular Dynamics Simulations.

PubMed

Patil, Sandeep P; Rege, Ameya; Sagardas; Itskov, Mikhail; Markert, Bernd

2017-06-08

Silica aerogels are nanostructured, highly porous solids which have, compared to other soft materials, special mechanical properties, such as extremely low densities. In the present work, the mechanical properties of silica aerogels have been studied with molecular dynamics (MD) simulations. The aerogel model of 192 000 atoms was created with different densities by direct expansion of β-cristobalite and subjected to series of thermal treatments. Because of the high number of atoms and improved modeling procedure, the proposed model was more stable and showed significant improvement in the smoothness of the resulting stress-strain curves in comparison to previous models. Resulting Poisson's ratio values for silica aerogels lie between 0.18 and 0.21. The elasticity moduli display a power law dependence on the density, with the exponent estimated to be 3.25 ± 0.1. These results are in excellent agreement with reported experimental as well as computational values. Two different deformation scenarios have been discussed. Under tension, the low-density aerogels were more ductile while the denser ones behaved rather brittle. In the compression simulations of low-density aerogels, deformation occurred without significant increase in stress. However, for high densities, atoms offer a higher resistance to the deformation, resulting in a more stiff response and an early densification. The relationship between different mechanical parameters has been found in the cyclic loading simulations of silica aerogels with different densities. The residual strain grows linearly with the applied strain (≥0.16) and can be approximated by a phenomenological relation ϵ p = 1.09ϵ max - 0.12. The dissipation energy also varies with the compressive strain according to a power law with an exponent of 2.31 ± 0.07. Moreover, the tangent modulus under cyclic loading varies exponentially with the compressive strain. The results of the study pave the way toward multiscale modeling of silica as well as reinforced silica aerogels.

Application of High-Density Electropulsing to Improve the Performance of Metallic Materials: Mechanisms, Microstructure and Properties

PubMed Central

Sheng, Yinying; Hua, Youlu; Zhao, Xueyang; Chen, Lianxi; Zhou, Hanyu; Wang, James; Berndt, Christopher C.; Li, Wei

2018-01-01

The technology of high-density electropulsing has been applied to increase the performance of metallic materials since the 1990s and has shown significant advantages over traditional heat treatment in many aspects. However, the microstructure changes in electropulsing treatment (EPT) metals and alloys have not been fully explored, and the effects vary significantly on different material. When high-density electrical pulses are applied to metals and alloys, the input of electric energy and thermal energy generally leads to structural rearrangements, such as dynamic recrystallization, dislocation movements and grain refinement. The enhanced mechanical properties of the metals and alloys after high-density electropulsing treatment are reflected by the significant improvement of elongation. As a result, this technology holds great promise in improving the deformation limit and repairing cracks and defects in the plastic processing of metals. This review summarizes the effect of high-density electropulsing treatment on microstructural properties and, thus, the enhancement in mechanical strength, hardness and corrosion performance of metallic materials. It is noteworthy that the change of some properties can be related to the structure state before EPT (quenched, annealed, deformed or others). The mechanisms for the microstructural evolution, grain refinement and formation of oriented microstructures of different metals and alloys are presented. Future research trends of high-density electrical pulse technology for specific metals and alloys are highlighted. PMID:29364844

Designing Carbon Based Supercapacitors with High Energy Density: A Summary of Recent Progress.

PubMed

Han, Yi; Lai, Zhengzhe; Wang, Zifan; Yu, Minghao; Tong, Yexiang; Lu, Xihong

2018-05-23

Carbon based supercapacitors (CSCs), with high output power and long lifespan, are considered as promising power sources for modern electronic devices. The rush to find new approaches for optimizing their electrochemical behaviors is still vibrant, and particularly, widespread enthusiasm was focused on improving the energy density of CSCs through improving the specific capacitance and expanding the operating voltage. In this regard, this article provides a brief review about recent progress and new understanding about the assembly of CSCs with high energy density. Novel applied strategies were highlighted and discussed from the aspects of electrolyte, electrodes, and device modulation. Dynamic and mechanism factors associated with the energy storage process of CSCs are particularly emphasized. Finally, the opportunities and challenges are elaborated in the hope of guiding the promising direction for the design of high-energy CSCs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Population Density Modulates Drug Inhibition and Gives Rise to Potential Bistability of Treatment Outcomes for Bacterial Infections.

PubMed

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.

Population Density Modulates Drug Inhibition and Gives Rise to Potential Bistability of Treatment Outcomes for Bacterial Infections

PubMed Central

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

The effect of nanoclay on the rheology and dynamics of polychlorinated biphenyl.

PubMed

Roy, D; Casalini, R; Roland, C M

2015-12-28

The thermal, rheological, and mechanical and dielectric relaxation properties of exfoliated dispersions of montmorillonite clay in a molecular liquid, polychlorobiphenyl (PCB), were studied. The viscosity enhancement at low concentrations of clay (≤5%) exceeded by a factor of 50 the increase obtainable with conventional fillers. However, the effect of the nanoclay on the local dynamics, including the glass transition temperature, was quite small. All materials herein conformed to density-scaling of the reorientation relaxation time of the PCB for a common value of the scaling exponent. A new relaxation process was observed in the mixtures, associated with PCB molecules in proximity to the clay surface. This process has an anomalously high dielectric strength, suggesting a means to exploit nanoparticles to achieve large electrical energy absorption. This lower frequency dispersion has a weaker dependence on pressure and density, consistent with dynamics constrained by interactions with the particle surface.

Assessment of a model of forest dynamics under contrasting climate and disturbance regimes in the Pacific Northwest [FORCLIM

USGS Publications Warehouse

Busing, Richard T.; Solomon, Allen M.

2005-01-01

An individual-based model of forest dynamics (FORCLIM) was tested for its ability to simulate forest composition and structure in the Pacific Northwest region of North America. Simulation results across gradients of climate and disturbance were compared to forest survey data from several vegetation zones in western Oregon. Modelled patterns of tree species composition, total basal area and stand height across climate gradients matched those in the forest survey data. However, the density of small stems (<50 cm DBH) was underestimated by the model. Thus actual size-class structure and other density-based parameters of stand structure were not simulated with high accuracy. The addition of partial-stand disturbances at moderate frequencies (<0.01 yr-1) often improved agreement between simulated and actual results. Strengths and weaknesses of the FORCLIM model in simulating forest dynamics and structure in the Pacific Northwest are discussed.

Density-associated recruitment mediates coral population dynamics on a coral reef

NASA Astrophysics Data System (ADS)

Bramanti, Lorenzo; Edmunds, Peter J.

2016-06-01

Theory suggests that density-associated processes can modulate community resilience following declines in population size. Here, we demonstrate density-associated processes in two scleractinian populations on the outer reef of Moorea, French Polynesia, that are rapidly increasing in size following the effects of two catastrophic disturbances. Between 2006 and 2010, predation by the corallivorous crown-of-thorns sea star reduced coral cover by 93 %; in 2010, the dead coral skeletons were removed by a cyclone, and in 2011 and 2012, high coral recruitment initiated population recovery. Coral recruitment was associated with coral cover, but the relationship differed between two coral genera that are almost exclusively broadcast spawners in Moorea. Acroporids recruited at low densities, and the density of recruits was positively associated with cover of Acropora, whereas pocilloporids recruited at high densities, and densities of their recruits were negatively associated with cover of Pocillopora. Together, our results suggest that associations between adult cover and density of both juveniles and recruits can mediate rapid coral community recovery after large disturbances. The difference between taxa in sign of the relationships between recruit density and coral cover indicate that they reflect contrasting mechanisms with the potential to mediate temporal shifts in taxonomic composition of coral communities.

The effect of respiratory induced density variations on non-TOF PET quantitation in the lung.

PubMed

Holman, Beverley F; Cuplov, Vesna; Hutton, Brian F; Groves, Ashley M; Thielemans, Kris

2016-04-21

Accurate PET quantitation requires a matched attenuation map. Obtaining matched CT attenuation maps in the thorax is difficult due to the respiratory cycle which causes both motion and density changes. Unlike with motion, little attention has been given to the effects of density changes in the lung on PET quantitation. This work aims to explore the extent of the errors caused by pulmonary density attenuation map mismatch on dynamic and static parameter estimates. Dynamic XCAT phantoms were utilised using clinically relevant (18)F-FDG and (18)F-FMISO time activity curves for all organs within the thorax to estimate the expected parameter errors. The simulations were then validated with PET data from 5 patients suffering from idiopathic pulmonary fibrosis who underwent PET/Cine-CT. The PET data were reconstructed with three gates obtained from the Cine-CT and the average Cine-CT. The lung TACs clearly displayed differences between true and measured curves with error depending on global activity distribution at the time of measurement. The density errors from using a mismatched attenuation map were found to have a considerable impact on PET quantitative accuracy. Maximum errors due to density mismatch were found to be as high as 25% in the XCAT simulation. Differences in patient derived kinetic parameter estimates and static concentration between the extreme gates were found to be as high as 31% and 14%, respectively. Overall our results show that respiratory associated density errors in the attenuation map affect quantitation throughout the lung, not just regions near boundaries. The extent of this error is dependent on the activity distribution in the thorax and hence on the tracer and time of acquisition. Consequently there may be a significant impact on estimated kinetic parameters throughout the lung.

The effect of respiratory induced density variations on non-TOF PET quantitation in the lung

NASA Astrophysics Data System (ADS)

Holman, Beverley F.; Cuplov, Vesna; Hutton, Brian F.; Groves, Ashley M.; Thielemans, Kris

2016-04-01

Accurate PET quantitation requires a matched attenuation map. Obtaining matched CT attenuation maps in the thorax is difficult due to the respiratory cycle which causes both motion and density changes. Unlike with motion, little attention has been given to the effects of density changes in the lung on PET quantitation. This work aims to explore the extent of the errors caused by pulmonary density attenuation map mismatch on dynamic and static parameter estimates. Dynamic XCAT phantoms were utilised using clinically relevant 18F-FDG and 18F-FMISO time activity curves for all organs within the thorax to estimate the expected parameter errors. The simulations were then validated with PET data from 5 patients suffering from idiopathic pulmonary fibrosis who underwent PET/Cine-CT. The PET data were reconstructed with three gates obtained from the Cine-CT and the average Cine-CT. The lung TACs clearly displayed differences between true and measured curves with error depending on global activity distribution at the time of measurement. The density errors from using a mismatched attenuation map were found to have a considerable impact on PET quantitative accuracy. Maximum errors due to density mismatch were found to be as high as 25% in the XCAT simulation. Differences in patient derived kinetic parameter estimates and static concentration between the extreme gates were found to be as high as 31% and 14%, respectively. Overall our results show that respiratory associated density errors in the attenuation map affect quantitation throughout the lung, not just regions near boundaries. The extent of this error is dependent on the activity distribution in the thorax and hence on the tracer and time of acquisition. Consequently there may be a significant impact on estimated kinetic parameters throughout the lung.

Regulation of the seasonal population patterns of Helicoverpa armigera moths by Bt cotton planting.

PubMed

Gao, Yu-Lin; Feng, Hong-Qiang; Wu, Kong-Ming

2010-08-01

Transgenic cotton expressing the Bacillus thuringiensis (Bt) Cry1Ac toxin has been commercially cultivated in China since 1997, and by 2000 Bt cotton had almost completely replaced non-transgenic cotton cultivars. To evaluate the impact of Bt cotton planting on the seasonal population patterns of cotton bollworm, Helicoverpa armigera, the dynamics of H. armigera moths were monitored with light traps from four locations (Xiajin, Linqing and Dingtao of Shandong Province; Guantao of Hebei Province) in high Bt density region and five locations (Anci and Xinji of Hebei Province; Dancheng and Fengqiu of Henan Province; Gaomi of Shandong Province) in low Bt density region from 1996 to 2008. A negative correlation was found between moth densities of H. armigera and the planting years of Bt cotton in both high and low Bt density areas. These data indicate that the moth population density of H. armigera was reduced with the introduction of Bt cotton in northern China. Three generations of moths occurred between early June and late September in the cotton regions. Interestingly, second-generation moths decreased and seemed to vanish in recent years in high Bt density region, but this tendency was not found in low Bt density region. The data suggest that the planting of Bt cotton in high Bt density region was effective in controlling the population density of second-generation moths. Furthermore, the seasonal change of moth patterns associated with Bt cotton planting may regulate the regional occurrence and population development of this migratory insect.

Nanosecond repetitively pulsed discharges in air at atmospheric pressure—the spark regime

NASA Astrophysics Data System (ADS)

Pai, David Z.; Lacoste, Deanna A.; Laux, Christophe O.

2010-12-01

Nanosecond repetitively pulsed (NRP) spark discharges have been studied in atmospheric pressure air preheated to 1000 K. Measurements of spark initiation and stability, plasma dynamics, gas temperature and current-voltage characteristics of the spark regime are presented. Using 10 ns pulses applied repetitively at 30 kHz, we find that 2-400 pulses are required to initiate the spark, depending on the applied voltage. Furthermore, about 30-50 pulses are required for the spark discharge to reach steady state, following initiation. Based on space- and time-resolved optical emission spectroscopy, the spark discharge in steady state is found to ignite homogeneously in the discharge gap, without evidence of an initial streamer. Using measured emission from the N2 (C-B) 0-0 band, it is found that the gas temperature rises by several thousand Kelvin in the span of about 30 ns following the application of the high-voltage pulse. Current-voltage measurements show that up to 20-40 A of conduction current is generated, which corresponds to an electron number density of up to 1015 cm-3 towards the end of the high-voltage pulse. The discharge dynamics, gas temperature and electron number density are consistent with a streamer-less spark that develops homogeneously through avalanche ionization in volume. This occurs because the pre-ionization electron number density of about 1011 cm-3 produced by the high frequency train of pulses is above the critical density for streamer-less discharge development, which is shown to be about 108 cm-3.

Investigation of the dynamic stress–strain response of compressible polymeric foam using a non-parametric analysis

DOE PAGES

Koohbor, Behrad; Kidane, Addis; Lu, Wei -Yang; ...

2016-01-25

Dynamic stress–strain response of rigid closed-cell polymeric foams is investigated in this work by subjecting high toughness polyurethane foam specimens to direct impact with different projectile velocities and quantifying their deformation response with high speed stereo-photography together with 3D digital image correlation. The measured transient displacement field developed in the specimens during high stain rate loading is used to calculate the transient axial acceleration field throughout the specimen. A simple mathematical formulation based on conservation of mass is also proposed to determine the local change of density in the specimen during deformation. By obtaining the full-field acceleration and density distributions,more » the inertia stresses at each point in the specimen are determined through a non-parametric analysis and superimposed on the stress magnitudes measured at specimen ends to obtain the full-field stress distribution. Furthermore, the process outlined above overcomes a major challenge in high strain rate experiments with low impedance polymeric foam specimens, i.e. the delayed equilibrium conditions can be quantified.« less

An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

PubMed

Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

2017-10-30

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Unified first principles description from warm dense matter to ideal ionized gas plasma: electron-ion collisions induced friction.

PubMed

Dai, Jiayu; Hou, Yong; Yuan, Jianmin

2010-06-18

Electron-ion interactions are central to numerous phenomena in the warm dense matter (WDM) regime and at higher temperature. The electron-ion collisions induced friction at high temperature is introduced in the procedure of ab initio molecular dynamics using the Langevin equation based on density functional theory. In this framework, as a test for Fe and H up to 1000 eV, the equation of state and the transition of electronic structures of the materials with very wide density and temperature can be described, which covers a full range of WDM up to high energy density physics. A unified first principles description from condensed matter to ideal ionized gas plasma is constructed.

Spin dynamics of possible density wave states in the pseudogap phase of high-temperature superconductors

NASA Astrophysics Data System (ADS)

Hsu, Chen-Hsuan; Wang, Zhiqiang; Chakravarty, Sudip

2012-12-01

In a recent inelastic neutron scattering experiment in the pseudogap state of the high-temperature superconductor YBa2Cu3O6.6, an unusual “vertical” dispersion of the spin excitations with a large in-plane anisotropy was observed. In this paper, we discuss in detail the spin susceptibility of the singlet d-density wave, the triplet d-density wave as well as the more common spin density wave orders with hopping anisotropies. From numerical calculations within the framework of random phase approximation, we find nearly vertical dispersion relations for spin excitations with anisotropic incommensurability at low energy ω≤90meV, which are reminiscent of the experiments. At very high energy ω≥165meV, we also find energy-dependent incommensurability. Although there are some important differences between the three cases, unpolarized neutron measurements cannot discriminate between these alternate possibilities; the vertical dispersion, however, is a distinct feature of all three density wave states in contrast to the superconducting state, which shows an hour-glass shape dispersion.

Functional thermo-dynamics: a generalization of dynamic density functional theory to non-isothermal situations.

PubMed

Anero, Jesús G; Español, Pep; Tarazona, Pedro

2013-07-21

We present a generalization of Density Functional Theory (DFT) to non-equilibrium non-isothermal situations. By using the original approach set forth by Gibbs in his consideration of Macroscopic Thermodynamics (MT), we consider a Functional Thermo-Dynamics (FTD) description based on the density field and the energy density field. A crucial ingredient of the theory is an entropy functional, which is a concave functional. Therefore, there is a one to one connection between the density and energy fields with the conjugate thermodynamic fields. The connection between the three levels of description (MT, DFT, FTD) is clarified through a bridge theorem that relates the entropy of different levels of description and that constitutes a generalization of Mermin's theorem to arbitrary levels of description whose relevant variables are connected linearly. Although the FTD level of description does not provide any new information about averages and correlations at equilibrium, it is a crucial ingredient for the dynamics in non-equilibrium states. We obtain with the technique of projection operators the set of dynamic equations that describe the evolution of the density and energy density fields from an initial non-equilibrium state towards equilibrium. These equations generalize time dependent density functional theory to non-isothermal situations. We also present an explicit model for the entropy functional for hard spheres.

Dynamics anomaly in high-density amorphous ice between 0.7 and 1.1 GPa

NASA Astrophysics Data System (ADS)

Handle, Philip H.; Loerting, Thomas

2016-02-01

We studied high-density amorphous ices between 0.004 and 1.6 GPa by isobaric in situ volumetry and by subsequent ex situ x-ray diffraction and differential scanning calorimetry at 1 bar. Our observations indicate two processes, namely, relaxation in the amorphous matrix and crystallization, taking place at well-separated time scales. For this reason, we are able to report rate constants of crystallization kX and glass-transition temperatures Tg in an unprecedented pressure range. Tg's agree within ±3 K with earlier work in the small pressure range where there is overlap. Both Tg and kX show a pressure anomaly between 0.7 and 1.1 GPa, namely, a kX minimum and a Tg maximum. This anomalous pressure dependence suggests a continuous phase transition from high- (HDA) to very-high-density amorphous ice (VHDA) and faster hydrogen bond dynamics in VHDA. We speculate this phenomenology can be rationalized by invoking the crossing of a Widom line between 0.7 and 1.1 GPa emanating from a low-lying HDA-VHDA critical point. Furthermore, we interpret the volumetric relaxation of the amorphous matrix to be accompanied by viscosity change to explain the findings such that the liquid state can be accessed prior to the crystallization temperature TX at <0.4 GPa and >0.8 GPa.

Finite metapopulation models with density-dependent migration and stochastic local dynamics

PubMed Central

Saether, B.-E.; Engen, S.; Lande, R.

1999-01-01

The effects of small density-dependent migration on the dynamics of a metapopulation are studied in a model with stochastic local dynamics. We use a diffusion approximation to study how changes in the migration rate and habitat occupancy affect the rates of local colonization and extinction. If the emigration rate increases or if the immigration rate decreases with local population size, a positive expected rate of change in habitat occupancy is found for a greater range of habitat occupancies than when the migration is density-independent. In contrast, the reverse patterns of density dependence in respective emigration and immigration reduce the range of habitat occupancies where the metapopulation will be viable. This occurs because density-dependent migration strongly influences both the establishment and rescue effects in the local dynamics of metapopulations.

Dynamic Fluid-Kinetic (DyFK) Simulations of Storm-Enhanced Density Supply of Cleft Ion Fountain Outflows

NASA Astrophysics Data System (ADS)

Horwitz, J. L.; Zeng, W.; Foster, J. C.; Strangeway, R. J.; Adrian, M. L.; Moore, T. E.

2008-12-01

Elevated ionospheric density regions frequently appear to be convected from the subauroral plasmaspheric region toward noon, in association with convection of plasmaspheric tails in the dayside magnetosphere, typically during large geomagnetic storms. In this presentation, we explore the possibility that these Storm Enhanced Density (SED) regions could provide ionospheric plasma source populations for cleft ion fountain outflows. We use our Dynamic Fluid Kinetic (DyFK) code to simulate the entry of a high-density "plasmasphere-like" flux tube entering the cleft region and subjected to an episode of wave-driven transverse ion heating. The results of including different proportions of SED and soft electron precipitation levels, together with transverse ion heating effects on the resulting outflows, will be presented, including the O+ and H+ ion density and related parameter profiles for the simulated SED involved events. We will also compare these modeling results with SED-outflow observations from GPS TEC, and the FAST and IMAGE spacecraft. Foster, J. C., P. J. Erickson, A. J. Coster, J. Goldstein, and F. J. Rich, Ionospheric signatures of plasmaspheric tails, Geophys. Res. Lett., 29(13), 1623, doi:10.1029/2002GL015067, 2002.

Urban renewal based wind environment at pedestrian level in high-density and high-rise urban areas in Sai Ying Pun, Hong Kong

NASA Astrophysics Data System (ADS)

Yao, J. W.; Zheng, J. Y.; Zhao, Y.; Shao, Y. H.; Yuan, F.

2017-11-01

In high-density and high-rise urban areas, pedestrian level winds contribute to improve comfort, safety and diffusion of heat in urban areas. Outdoor wind study is extremely vital and a prerequisite in high-density cities considering that the immediate pedestrian level wind environment is fundamentally impacted by the presence of a series of high-rise buildings. In this paper, the research site of Sai Ying Pun in Hong Kong will be analysed in terms of geography, climate and urban morphology, while the surrounding natural ventilation has also been simulated by the wind tunnel experiment Computational Fluid Dynamics (CFD). It has found that, the existing problems in this district are the contradiction between planning control and commercial interests, which means some areas around tall buildings are not benefit to the residents because of the unhealthy wind environment. Therefore, some recommendation of urban renewal strategy has been provided.

Electron density and plasma dynamics of a colliding plasma experiment

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

Wiechula, J., E-mail: wiechula@physik.uni-frankfurt.de; Schönlein, A.; Iberler, M.

2016-07-15

We present experimental results of two head-on colliding plasma sheaths accelerated by pulsed-power-driven coaxial plasma accelerators. The measurements have been performed in a small vacuum chamber with a neutral-gas prefill of ArH{sub 2} at gas pressures between 17 Pa and 400 Pa and load voltages between 4 kV and 9 kV. As the plasma sheaths collide, the electron density is significantly increased. The electron density reaches maximum values of ≈8 ⋅ 10{sup 15} cm{sup −3} for a single accelerated plasma and a maximum value of ≈2.6 ⋅ 10{sup 16} cm{sup −3} for the plasma collision. Overall a raise of the plasma density by a factor ofmore » 1.3 to 3.8 has been achieved. A scaling behavior has been derived from the values of the electron density which shows a disproportionately high increase of the electron density of the collisional case for higher applied voltages in comparison to a single accelerated plasma. Sequences of the plasma collision have been taken, using a fast framing camera to study the plasma dynamics. These sequences indicate a maximum collision velocity of 34 km/s.« less

Effects of phenotypic plasticity on pathogen transmission in the field in a Lepidoptera-NPV system.

PubMed

Reeson, A F; Wilson, K; Cory, J S; Hankard, P; Weeks, J M; Goulson, D; Hails, R S

2000-08-01

In models of insect-pathogen interactions, the transmission parameter (ν) is the term that describes the efficiency with which pathogens are transmitted between hosts. There are two components to the transmission parameter, namely the rate at which the host encounters pathogens (contact rate) and the rate at which contact between host and pathogen results in infection (host susceptibility). Here it is shown that in larvae of Spodoptera exempta (Lepidoptera: Noctuidae), in which rearing density triggers the expression of one of two alternative phenotypes, the high-density morph is associated with an increase in larval activity. This response is likely to result in an increase in the contact rate between hosts and pathogens. Rearing density is also known to affect susceptibility of S. exempta to pathogens, with the high-density morph showing increased resistance to a baculovirus. In order to determine whether density-dependent differences observed in the laboratory might affect transmission in the wild, a field trial was carried out to estimate the transmission parameter for S. exempta and its nuclear polyhedrosis virus (NPV). The transmission parameter was found to be significantly higher among larvae reared in isolation than among those reared in crowds. Models of insect-pathogen interactions, in which the transmission parameter is assumed to be constant, will therefore not fully describe the S. exempta-NPV system. The finding that crowding can influence transmission in this way has major implications for both the long-term population dynamics and the invasion dynamics of insect-pathogen systems.

Density-based cluster algorithms for the identification of core sets

NASA Astrophysics Data System (ADS)

Lemke, Oliver; Keller, Bettina G.

2016-10-01

The core-set approach is a discretization method for Markov state models of complex molecular dynamics. Core sets are disjoint metastable regions in the conformational space, which need to be known prior to the construction of the core-set model. We propose to use density-based cluster algorithms to identify the cores. We compare three different density-based cluster algorithms: the CNN, the DBSCAN, and the Jarvis-Patrick algorithm. While the core-set models based on the CNN and DBSCAN clustering are well-converged, constructing core-set models based on the Jarvis-Patrick clustering cannot be recommended. In a well-converged core-set model, the number of core sets is up to an order of magnitude smaller than the number of states in a conventional Markov state model with comparable approximation error. Moreover, using the density-based clustering one can extend the core-set method to systems which are not strongly metastable. This is important for the practical application of the core-set method because most biologically interesting systems are only marginally metastable. The key point is to perform a hierarchical density-based clustering while monitoring the structure of the metric matrix which appears in the core-set method. We test this approach on a molecular-dynamics simulation of a highly flexible 14-residue peptide. The resulting core-set models have a high spatial resolution and can distinguish between conformationally similar yet chemically different structures, such as register-shifted hairpin structures.

Controlling plasma properties under differing degrees of electronegativity using odd harmonic dual frequency excitation

NASA Astrophysics Data System (ADS)

Gibson, Andrew R.; Gans, Timo

2017-11-01

The charged particle dynamics in low-pressure oxygen plasmas excited by odd harmonic dual frequency waveforms (low frequency of 13.56 MHz and high frequency of 40.68 MHz) are investigated using a one-dimensional numerical simulation in regimes of both low and high electronegativity. In the low electronegativity regime, the time and space averaged electron and negative ion densities are approximately equal and plasma sustainment is dominated by ionisation at the sheath expansion for all combinations of low and high frequency and the phase shift between them. In the high electronegativity regime, the negative ion density is a factor of 15-20 greater than the low electronegativity cases. In these cases, plasma sustainment is dominated by ionisation inside the bulk plasma and at the collapsing sheath edge when the contribution of the high frequency to the overall voltage waveform is low. As the high frequency component contribution to the waveform increases, sheath expansion ionisation begins to dominate. It is found that the control of the average voltage drop across the plasma sheath and the average ion flux to the powered electrode are similar in both regimes of electronegativity, despite the differing electron dynamics using the considered dual frequency approach. This offers potential for similar control of ion dynamics under a range of process conditions, independent of the electronegativity. This is in contrast to ion control offered by electrically asymmetric waveforms where the relationship between the ion flux and ion bombardment energy is dependent upon the electronegativity.

Self-Organization in 2D Traffic Flow Model with Jam-Avoiding Drive

NASA Astrophysics Data System (ADS)

Nagatani, Takashi

1995-04-01

A stochastic cellular automaton (CA) model is presented to investigate the traffic jam by self-organization in the two-dimensional (2D) traffic flow. The CA model is the extended version of the 2D asymmetric exclusion model to take into account jam-avoiding drive. Each site contains either a car moving to the up, a car moving to the right, or is empty. A up car can shift right with probability p ja if it is blocked ahead by other cars. It is shown that the three phases (the low-density phase, the intermediate-density phase and the high-density phase) appear in the traffic flow. The intermediate-density phase is characterized by the right moving of up cars. The jamming transition to the high-density jamming phase occurs with higher density of cars than that without jam-avoiding drive. The jamming transition point p 2c increases with the shifting probability p ja. In the deterministic limit of p ja=1, it is found that a new jamming transition occurs from the low-density synchronized-shifting phase to the high-density moving phase with increasing density of cars. In the synchronized-shifting phase, all up cars do not move to the up but shift to the right by synchronizing with the move of right cars. We show that the jam-avoiding drive has an important effect on the dynamical jamming transition.

Kinetic theory of Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Leegwater, Jan A.

1991-12-01

A kinetic theory that describes the time evolution of a fluid consisting of Lennard-Jones particles at all densities is proposed. The kinetic equation assumes binary collisions, but takes into account the finite time duration of a collision. Furthermore, it is an extension of a kinetic equation for the square well fluid as well as the hard sphere Enskog theory. In the low density limit, the Boltzmann theory is obtained. It is shown that the proposed theory obeys all the conservation laws. The exchange of potential and kinetic energies is studied and it is shown that at high density this is a fast process. The dominant mechanism for energy exchange is found to be collisions at the strongly repulsive part of the potential that are disturbed by third particles. The kinetic equation is also used to calculate the Green-Kubo integrands for shear viscosity and heat conductivity. The major structures found in molecular dynamics simulations are reproduced at intermediate densities quantitatively and at high density semiquantitatively. It is found that at high density, not only correlated collisions have to be taken into account, but that even the concept of collisions in the sense of sudden changes in the velocity is no longer useful.

Local thermodynamic equilibrium in rapidly heated high energy density plasmas

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

Aslanyan, V.; Tallents, G. J.

Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates.more » The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance.« less

Evaluating the impact of a wide range of vegetation densities on river channel pattern

NASA Astrophysics Data System (ADS)

Pattison, Ian; Roucou, Ron

2016-04-01

Braided rivers are very dynamic systems which have complex controls over their planform and flow dynamics. Vegetation is one variable which influences channel geometry and pattern, through its effect on local flow hydraulics and the process continuum of sediment erosion-transport-deposition. Furthermore, where in the braided floodplain stable vegetation develops depends on the temporal sequencing of the river discharge i.e. floods. Understanding the effect of vegetation in these highly dynamic systems has multiple consequences for human activity and floodplain management. This paper focusses on the specific role of vegetation density in controlling braided river form and processes. Previous research in this field has been contradictory; with Gran and Paola (2001) finding that increasing vegetation density decreased the number of active channels. In contrast, Coulthard (2005] observed that as vegetation become denser there was an increase in the number of channels. This was hypothesized to be caused by flow separation around vegetation and the development of bars immediately downstream of the plant. This paper reports the results from a set of experiments in a 4m by 1m flume, where discharge, slope and sediment size were kept constant. Artificial grass was used to represent vegetation with a density ranging from 50 plants/m2 to 400 plants/m2. Digital photographs, using a GoPro camera with a fish eye lens, were taken from ~1m above the flume at an interval of 30 seconds during the 3 hour experiment. The experiments showed that as the vegetation density increased from 50 to 150 plants/m2, the number of channel bars developing doubled from 12 to 24. At vegetation densities greater than 150 plants/m2 there was a decline in the number of bars created to a minimum of 8 bars for a density of 400 plants/m2. We attribute these patterns to the effect that the vegetation has on flow hydraulics, sediment transport processes and the spatial patterns of erosion and deposition. We develop a simple conceptual model to explain the observations along the wide range of vegetation densities investigated. At low plant densities, each plant acted independently and caused flow separation and convergence around each plant, similar to in the Coulthard (2005] experiment. At medium densities, individual plants start to interact together with narrow channels developing longitudinally between vegetative bars. Finally at very high densities, there was both lateral and longitudinal interaction between plants meaning that flow was diverted around them forming wandering, meandering channels. In summary, the relationship between vegetation density and channel braiding is more complex than previous thought, taking a parabolic shape, with maximum braiding occurring at medium vegetation densities.

NASTRAN analysis of the 1/8-scale space shuttle dynamic model

NASA Technical Reports Server (NTRS)

Bernstein, M.; Mason, P. W.; Zalesak, J.; Gregory, D. J.; Levy, A.

1973-01-01

The space shuttle configuration has more complex structural dynamic characteristics than previous launch vehicles primarily because of the high model density at low frequencies and the high degree of coupling between the lateral and longitudinal motions. An accurate analytical representation of these characteristics is a primary means for treating structural dynamics problems during the design phase of the shuttle program. The 1/8-scale model program was developed to explore the adequacy of available analytical modeling technology and to provide the means for investigating problems which are more readily treated experimentally. The basic objectives of the 1/8-scale model program are: (1) to provide early verification of analytical modeling procedures on a shuttle-like structure, (2) to demonstrate important vehicle dynamic characteristics of a typical shuttle design, (3) to disclose any previously unanticipated structural dynamic characteristics, and (4) to provide for development and demonstration of cost effective prototype testing procedures.

Detecting and disentangling nonlinear structure from solar flux time series

NASA Technical Reports Server (NTRS)

Ashrafi, S.; Roszman, L.

1992-01-01

Interest in solar activity has grown in the past two decades for many reasons. Most importantly for flight dynamics, solar activity changes the atmospheric density, which has important implications for spacecraft trajectory and lifetime prediction. Building upon the previously developed Rayleigh-Benard nonlinear dynamic solar model, which exhibits many dynamic behaviors observed in the Sun, this work introduces new chaotic solar forecasting techniques. Our attempt to use recently developed nonlinear chaotic techniques to model and forecast solar activity has uncovered highly entangled dynamics. Numerical techniques for decoupling additive and multiplicative white noise from deterministic dynamics and examines falloff of the power spectra at high frequencies as a possible means of distinguishing deterministic chaos from noise than spectrally white or colored are presented. The power spectral techniques presented are less cumbersome than current methods for identifying deterministic chaos, which require more computationally intensive calculations, such as those involving Lyapunov exponents and attractor dimension.

THEMIS two‐point measurements of the cross‐tail current density: A thick bifurcated current sheet in the near‐Earth plasma sheet

PubMed Central

2015-01-01

Abstract The basic properties of the near‐Earth current sheet from 8 RE to 12 RE were determined based on Time History of Events and Macroscale Interactions during Substorms (THEMIS) observations from 2007 to 2013. Ampere's law was used to estimate the current density when the locations of two spacecraft were suitable for the calculation. A total of 3838 current density observations were obtained to study the vertical profile. For typical solar wind conditions, the current density near (off) the central plane of the current sheet ranged from 1 to 2 nA/m2 (1 to 8 nA/m2). All the high current densities appeared off the central plane of the current sheet, indicating the formation of a bifurcated current sheet structure when the current density increased above 2 nA/m2. The median profile also showed a bifurcated structure, in which the half thickness was about 3 RE. The distance between the peak of the current density and the central plane of the current sheet was 0.5 to 1 RE. High current densities above 4 nA/m2 were observed in some cases that occurred preferentially during substorms, but they also occurred in quiet times. In contrast to the commonly accepted picture, these high current densities can form without a high solar wind dynamic pressure. In addition, these high current densities can appear in two magnetic configurations: tail‐like and dipolar structures. At least two mechanisms, magnetic flux depletion and new current system formation during the expansion phase, other than plasma sheet compression are responsible for the formation of the bifurcated current sheets. PMID:27722039

Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling.

PubMed

Peters, William K; Couch, David E; Mignolet, Benoit; Shi, Xuetao; Nguyen, Quynh L; Fortenberry, Ryan C; Schlegel, H Bernhard; Remacle, Françoise; Kapteyn, Henry C; Murnane, Margaret M; Li, Wen

2017-12-26

Highly excited electronic states are challenging to explore experimentally and theoretically-due to the large density of states and the fact that small structural changes lead to large changes in electronic character with associated strong nonadiabatic dynamics. They can play a key role in astrophysical and ionospheric chemistry, as well as the detonation chemistry of high-energy density materials. Here, we implement ultrafast vacuum-UV (VUV)-driven electron-ion coincidence imaging spectroscopy to directly probe the reaction pathways of highly excited states of energetic molecules-in this case, methyl azide. Our data, combined with advanced theoretical simulations, show that photoexcitation of methyl azide by a 10-fs UV pulse at 8 eV drives fast structural changes and strong nonadiabatic coupling that leads to relaxation to other excited states on a surprisingly fast timescale of 25 fs. This ultrafast relaxation differs from dynamics occurring on lower excited states, where the timescale required for the wavepacket to reach a region of strong nonadiabatic coupling is typically much longer. Moreover, our theoretical calculations show that ultrafast relaxation of the wavepacket to a lower excited state occurs along one of the conical intersection seams before reaching the minimum energy conical intersection. These findings are important for understanding the unique strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules. Although such observations have been predicted for many years, this study represents one of the few where such strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules have been conclusively observed directly, making it possible to identify the ultrafast reaction pathways.

Facilitation drives 65 years of vegetation change in the Sonoran Desert

USGS Publications Warehouse

Butterfield, Bradley J.; Betancourt, Julio L.; Turner, Raymond M.; Briggs, John M.

2010-01-01

Ecological processes of low-productivity ecosystems have long been considered to be driven by abiotic controls with biotic interactions playing an insignificant role. However, existing studies present conflicting evidence concerning the roles of these factors, in part due to the short temporal extent of most data sets and inability to test indirect effects of environmental variables modulated by biotic interactions. Using structural equation modeling to analyze 65 years of perennial vegetation change in the Sonoran Desert, we found that precipitation had a stronger positive effect on recruitment beneath existing canopies than in open microsites due to reduced evaporation rates. Variation in perennial canopy cover had additional facilitative effects on juvenile recruitment, which was indirectly driven by effects of density and precipitation on cover. Mortality was strongly influenced by competition as indicated by negative density-dependence, whereas precipitation had no effect. The combined direct, indirect, and interactive facilitative effects of precipitation and cover on recruitment were substantial, as was the effect of competition on mortality, providing strong evidence for dual control of community dynamics by climate and biotic interactions. Through an empirically derived simulation model, we also found that the positive feedback of density on cover produces unique temporal abundance patterns, buffering changes in abundance from high frequency variation in precipitation, amplifying effects of low frequency variation, and decoupling community abundance from precipitation patterns at high abundance. Such dynamics should be generally applicable to low-productivity systems in which facilitation is important and can only be understood within the context of long-term variation in climatic patterns. This predictive model can be applied to better manage low-productivity ecosystems, in which variation in biogeochemical processes and trophic dynamics may be driven by positive density-dependent feedbacks that influence temporal abundance and productivity patterns.

The dark matter content of Local Group dwarf spheroidals

NASA Astrophysics Data System (ADS)

Collins, Michelle; PAndAS Team

2016-01-01

Dwarf spheroidal galaxies are the most dark matter dominated objects we have observed in the Universe. By measuring the dynamics of their stellar populations, we can hope to map out the shapes of their central density profiles, and compare these to expectations from simulations. In this poster, we will present the central kinematics of a range of dwarf galaxies around the Milky Way and Andromeda, taken as part of the PAndAS Keck II DEIMOS survey. We will highlight a number of unusual objects, which have either very high mass to light ratios - indicating they may be promising candidates for indirect detection experiments - or those with exceptionally low central densities, whose kinematic profiles suggest that these systems are out of dynamical equilibrium.

Dynamics of electron injection and acceleration driven by laser wakefield in tailored density profiles

DOE PAGES

Lee, Patrick; Maynard, G.; Audet, T. L.; ...

2016-11-16

The dynamics of electron acceleration driven by laser wakefield is studied in detail using the particle-in-cell code WARP with the objective to generate high-quality electron bunches with narrow energy spread and small emittance, relevant for the electron injector of a multistage accelerator. Simulation results, using experimentally achievable parameters, show that electron bunches with an energy spread of ~11% can be obtained by using an ionization-induced injection mechanism in a mm-scale length plasma. By controlling the focusing of a moderate laser power and tailoring the longitudinal plasma density profile, the electron injection beginning and end positions can be adjusted, while themore » electron energy can be finely tuned in the last acceleration section.« less

High Density or Urban Sprawl: What Works Best in Biology?

PubMed

Oreopoulos, John; Gray-Owen, Scott D; Yip, Christopher M

2017-02-28

With new approaches in imaging-from new tools or reagents to processing algorithms-come unique opportunities and challenges to our understanding of biological processes, structures, and dynamics. Although innovations in super-resolution imaging are affording novel perspectives into how molecules structurally associate and localize in response to, or in order to initiate, specific signaling events in the cell, questions arise as to how to interpret these observations in the context of biological function. Just as each neighborhood in a city has its own unique vibe, culture, and indeed density, recent work has shown that membrane receptor behavior and action is governed by their localization and association state. There is tremendous potential in developing strategies for tracking how the populations of these molecular neighborhoods change dynamically.

Lattice model for calcium dynamics

NASA Astrophysics Data System (ADS)

Guisoni, Nara; de Oliveira, Mario José

2005-06-01

We present a simplified lattice model to study calcium dynamics in the endoplasmic reticulum membrane. Calcium channels and calcium ions are placed in two interpenetrating square lattices which are connected in two ways: (i) via calcium release and (ii) because transitions between channel states are calcium dependent. The opening or closing of a channel is a stochastic process controlled by two functions which depend on the calcium density on the channel neighborhood. The model is studied through mean field calculations and simulations. We show that the critical behavior of the model changes drastically depending on the opening/closing functions. For certain choices of these functions, all channels are closed at very low and high calcium densities and the model presents one absorbing state.

Electrical manipulation of dynamic magnetic impurity and spin texture of helical Dirac fermions

NASA Astrophysics Data System (ADS)

Wang, Rui-Qiang; Zhong, Min; Zheng, Shi-Han; Yang, Mou; Wang, Guang-Hui

2016-05-01

We have theoretically investigated the spin inelastic scattering of helical electrons off a high-spin nanomagnet absorbed on a topological surface. The nanomagnet is treated as a dynamic quantum spin and driven by the spin transfer torque effect. We proposed a mechanism to electrically manipulate the spin texture of helical Dirac fermions rather than by an external magnetic field. By tuning the bias voltage and the direction of impurity magnetization, we present rich patterns of spin texture, from which important fingerprints exclusively associated with the spin helical feature are obtained. Furthermore, it is found that the nonmagnetic potential can create the resonance state in the spin density with different physics as the previously reported resonance of charge density.

Non-linear optical techniques and optical properties of condensed molecular systems

NASA Astrophysics Data System (ADS)

Citroni, Margherita

2013-06-01

Structure, dynamics, and optical properties of molecular systems can be largely modified by the applied pressure, with remarkable consequences on their chemical stability. Several examples of selective reactions yielding technologically attractive products can be cited, which are particularly efficient when photochemical effects are exploited in conjunction with the structural conditions attained at high density. Non-linear optical techniques are a basic tool to unveil key aspects of the chemical reactivity and dynamic properties of molecules. Their application to high-pressure samples is experimentally challenging, mainly because of the small sample dimensions and of the non-linear effects generated in the anvil materials. In this talk I will present results on the electronic spectra of several aromatic crystals obtained through two-photon induced fluorescence and two-photon excitation profiles measured as a function of pressure (typically up to about 25 GPa), and discuss the relationship between the pressure-induced modifications of the electronic structure and the chemical reactivity at high pressure. I will also present the first successful pump-probe infrared measurement performed as a function of pressure on a condensed molecular system. The system under examination is liquid water, in a sapphire anvil cell, up to 1 GPa along isotherms at 298 and 363 K. These measurements give a new enlightening insight into the dynamical properties of low- and high-density water allowing a definition of the two structures.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.

PubMed

Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas

2015-07-14

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.

Spatial patterns and biodiversity in off-lattice simulations of a cyclic three-species Lotka-Volterra model

NASA Astrophysics Data System (ADS)

Avelino, P. P.; Bazeia, D.; Losano, L.; Menezes, J.; de Oliveira, B. F.

2018-02-01

Stochastic simulations of cyclic three-species spatial predator-prey models are usually performed in square lattices with nearest-neighbour interactions starting from random initial conditions. In this letter we describe the results of off-lattice Lotka-Volterra stochastic simulations, showing that the emergence of spiral patterns does occur for sufficiently high values of the (conserved) total density of individuals. We also investigate the dynamics in our simulations, finding an empirical relation characterizing the dependence of the characteristic peak frequency and amplitude on the total density. Finally, we study the impact of the total density on the extinction probability, showing how a low population density may jeopardize biodiversity.

Fluctuations and symmetry energy in nuclear fragmentation dynamics.

PubMed

Colonna, M

2013-01-25

Within a dynamical description of nuclear fragmentation, based on the liquid-gas phase transition scenario, we explore the relation between neutron-proton density fluctuations and nuclear symmetry energy. We show that, along the fragmentation path, isovector fluctuations follow the evolution of the local density and approach an equilibrium value connected to the local symmetry energy. Higher-density regions are characterized by smaller average asymmetry and narrower isotopic distributions. This dynamical analysis points out that fragment final state isospin fluctuations can probe the symmetry energy of the density domains from which fragments originate.

Dynamic fracture of tantalum under extreme tensile stress

DOE PAGES

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily; ...

2017-06-02

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power opticalmore » laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of Embedded Image ~2 × 10 8 to 3.5 × 10 8 s -1. A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions.« less

Automated assessment of blood flow in developing embryonic hearts by extending dynamic range of Doppler OCT using a MHz FDML swept laser source (Conference Presentation)

NASA Astrophysics Data System (ADS)

Elahi, Sahar; Thrane, Lars; Rollins, Andrew M.; Jenkins, Michael W.

2017-02-01

Altered hemodynamics in developing embryonic hearts lead to congenital heart diseases, motivating close monitoring of blood flow over several stages of development. Doppler OCT can assess blood flow in tubular hearts, but the maximum velocity increases drastically during the period of cardiac cushion (valve precursors) formation. Therefore, the limited dynamic range of Doppler OCT velocity measurement makes it difficult to conduct longitudinal studies without phase wrapping at high velocities or loss of sensitivity to slow velocities. We have built a high-speed OCT system using an FDML laser (Optores GmbH, Germany) at a sweep rate of 1.68 MHz (axial resolution - 12 μm, sensitivity - 105 dB, phase stability - 17 mrad). The speed of this OCT system allows us to acquire high-density B-scans to obtain an extended velocity dynamic range without sacrificing the frame rate. The extended dynamic range within a frame is achieved by varying the A-scan interval at which the phase difference is found, enabling detection of velocities ranging from tens of microns per second to hundreds of mm per second. The extra lines in a frame can also be utilized to improve the structural and Doppler images via complex averaging. In structural images where presence of blood causes additional scattering, complex averaging helps retrieve features located deeper in the tissue. Moreover, high-density frames can be registered to 4D volumes to determine the orthogonal direction of flow and calculate shear stress. In conclusion, our high-speed OCT system will enable automated Doppler imaging of embryonic hearts in cohort studies.

Ab initio molecular dynamics in a finite homogeneous electric field.

PubMed

Umari, P; Pasquarello, Alfredo

2002-10-07

We treat homogeneous electric fields within density functional calculations with periodic boundary conditions. A nonlocal energy functional depending on the applied field is used within an ab initio molecular dynamics scheme. The reliability of the method is demonstrated in the case of bulk MgO for the Born effective charges, and the high- and low-frequency dielectric constants. We evaluate the static dielectric constant by performing a damped molecular dynamics in an electric field and avoiding the calculation of the dynamical matrix. Application of this method to vitreous silica shows good agreement with experiment and illustrates its potential for systems of large size.

Exposing extinction risk analysis to pathogens: Is disease just another form of density dependence?

USGS Publications Warehouse

Gerber, L.R.; McCallum, H.; Lafferty, K.D.; Sabo, J.L.; Dobson, A.

2005-01-01

In the United States and several other countries, the development of population viability analyses (PVA) is a legal requirement of any species survival plan developed for threatened and endangered species. Despite the importance of pathogens in natural populations, little attention has been given to host-pathogen dynamics in PVA. To study the effect of infectious pathogens on extinction risk estimates generated from PVA, we review and synthesize the relevance of host-pathogen dynamics in analyses of extinction risk. We then develop a stochastic, density-dependent host-parasite model to investigate the effects of disease on the persistence of endangered populations. We show that this model converges on a Ricker model of density dependence under a suite of limiting assumptions, including a high probability that epidemics will arrive and occur. Using this modeling framework, we then quantify: (1) dynamic differences between time series generated by disease and Ricker processes with the same parameters; (2) observed probabilities of quasi-extinction for populations exposed to disease or self-limitation; and (3) bias in probabilities of quasi-extinction estimated by density-independent PVAs when populations experience either form of density dependence. Our results suggest two generalities about the relationships among disease, PVA, and the management of endangered species. First, disease more strongly increases variability in host abundance and, thus, the probability of quasi-extinction, than does self-limitation. This result stems from the fact that the effects and the probability of occurrence of disease are both density dependent. Second, estimates of quasi-extinction are more often overly optimistic for populations experiencing disease than for those subject to self-limitation. Thus, although the results of density-independent PVAs may be relatively robust to some particular assumptions about density dependence, they are less robust when endangered populations are known to be susceptible to disease. If potential management actions involve manipulating pathogens, then it may be useful to model disease explicitly. ?? 2005 by the Ecological Society of America.

Stage-structured infection transmission and a spatial epidemic: a model for Lyme disease.

PubMed

Caraco, Thomas; Glavanakov, Stephan; Chen, Gang; Flaherty, Joseph E; Ohsumi, Toshiro K; Szymanski, Boleslaw K

2002-09-01

A greater understanding of the rate at which emerging disease advances spatially has both ecological and applied significance. Analyzing the spread of vector-borne disease can be relatively complex when the vector's acquisition of a pathogen and subsequent transmission to a host occur in different life stages. A contemporary example is Lyme disease. A long-lived tick vector acquires infection during the larval blood meal and transmits it as a nymph. We present a reaction-diffusion model for the ecological dynamics governing the velocity of the current epidemic's spread. We find that the equilibrium density of infectious tick nymphs (hence the risk of human disease) can depend on density-independent survival interacting with biotic effects on the tick's stage structure. The local risk of infection reaches a maximum at an intermediate level of adult tick mortality and at an intermediate rate of juvenile tick attacks on mammalian hosts. If the juvenile tick attack rate is low, an increase generates both a greater density of infectious nymphs and an increased spatial velocity. However, if the juvenile attack rate is relatively high, nymph density may decline while the epidemic's velocity still increases. Velocities of simulated two-dimensional epidemics correlate with the model pathogen's basic reproductive number (R0), but calculating R0 involves parameters of both host infection dynamics and the vector's stage-structured dynamics.

Dynamical histories of the IC 348 and NGC 1333 star-forming regions in Perseus

NASA Astrophysics Data System (ADS)

Parker, Richard J.; Alves de Oliveira, Catarina

2017-07-01

We present analyses of the spatial distributions of stars in the young (1-3 Myr) star-forming regions IC 348 and NGC 1333 in the Perseus giant molecular cloud. We quantify the spatial structure using the Q-parameter and find that both IC 348 and NGC 1333 are smooth and centrally concentrated with Q-parameters of 0.98 and 0.89, respectively. Neither region exhibits mass segregation (Λ _MSR = 1.1^{+0.2}_{-0.3} for IC 348 and Λ _MSR = 1.2^{+0.4}_{-0.3} for NGC 1333, where ΛMSR ˜ 1 corresponds to no mass segregation) nor do the most massive stars reside in areas of enhanced stellar surface density compared to the average surface density, according to the ΣLDR method. We then constrain the dynamical histories and hence initial conditions of both regions by comparing the observed values to N-body simulations at appropriate ages. Stars in both regions likely formed with subvirial velocities that contributed to merging of substructure and the formation of smooth clusters. The initial stellar densities were no higher than ρ ˜ 100-500 M⊙ pc-3 for IC 348 and ρ ˜ 500-2000 M⊙ pc-3 for NGC 1333. These initial densities, in particular that of NGC 1333, are high enough to facilitate dynamical interactions that would likely affect ˜10 per cent of protoplanetary discs and binary stars.

Structure and dynamics of the umagnetized plasma around comet 67P/CG

NASA Astrophysics Data System (ADS)

Henri, P.; Vallières, X.; Gilet, N.; Hajra, R.; Moré, J.; Goetz, C.; Richter, I.; Glassmeier, K. H.; Galand, M. F.; Heritier, K. L.; Eriksson, A. I.; Nemeth, Z.; Tsurutani, B.; Rubin, M.; Altwegg, K.

2016-12-01

At distances close enough to the Sun, when comets are characterised by a significant outgassing, the cometary neutral density may become large enough for both the cometary plasma and the cometary gas to be coupled, through ion-neutral and electron-neutral collisions. This coupling enables the formation of an unmagnetised expanding cometary ionosphere around the comet nucleus, also called diamagnetic cavity, within which the solar wind magnetic field cannot penetrate. The instruments of the Rosetta Plasma Consortium (RPC), onboard the Rosetta Orbiter, enable us to better constrain the structure, dynamics and stability of the plasma around comet 67P/CG. Recently, magnetic field measurements (RPC-MAG) have shown the existence of such a diamagnetic region around comet 67P/CG [Götz et al., 2016]. Contrary to a single, large scale, diamagnetic cavity such as what was observed around comet Halley, Rosetta have crossed several diamagnetic structures along its trajectory around comet 67P/CG. Using electron density measurements from the Mutual Impedance Probe (RPC-MIP) during the different diamagnetic cavity crossings, identified by the flux gate magnetometer (RPC-MAG), we map the unmagnetised plasma density around comet 67P/CG. Our aims is to better constrain the structure, dynamics and stability of this inner cometary plasma layer characterised by cold electrons (as witnessed by the Langmuir Probes RPC-LAP). The ionisation ratio in these unmagnetised region(s) is computed from the measured electron (RPC-MIP) and neutral gas (ROSINA/COPS) densities. In order to assess the importance of solar EUV radiation as a source of ionisation, the observed electron density will be compared to a the density expected from an ionospheric model taking into account solar radiation absorption. The crossings of diamagnetic region(s) by Rosetta show that the unmagnetised cometary plasma is particularly homogeneous, compared to the highly dynamical magnetised plasma observed in adjacent magnetised regions. Moreover, during the crossings of multiple, successive diamagnetic region(s) over time scales of tens of minutes or hours, the plasma density is almost identical in the different unmagnetised regions, suggesting that these unmagnetised regions may be a single diamagnetic structure crossed several times by Rosetta.

High-Density Amorphous Ice, the Frost on Interstellar Grains

NASA Technical Reports Server (NTRS)

Jenniskens, P.; Blake, D. F.; Wilson, M. A.; Pohorille, A.

1995-01-01

Most water ice in the universe is in a form which does not occur naturally on Earth and of which only minimal amounts have been made in the laboratory. We have encountered this 'high-density amorphous ice' in electron diffraction experiments of low-temperature (T less than 30 K) vapor-deposited water and have subsequently modeled its structure using molecular dynamics simulations. The characteristic feature of high-density amorphous ice is the presence of 'interstitial' oxygen pair distances between 3 and 4 A. However, we find that the structure is best described as a collapsed lattice of the more familiar low-density amorphous form. These distortions are frozen in at temperatures below 38 K because, we propose, it requires the breaking of one hydrogen bond, on average, per molecule to relieve the strain and to restructure the lattice to that of low-density amorphous ice. Several features of astrophysical ice analogs studied in laboratory experiments are readily explained by the structural transition from high-density amorphous ice into low-density amorphous ice. Changes in the shape of the 3.07 gm water band, trapping efficiency of CO, CO loss, changes in the CO band structure, and the recombination of radicals induced by low-temperature UV photolysis all covary with structural changes that occur in the ice during this amorphous to amorphous transition. While the 3.07 micrometers ice band in various astronomical environments can be modeled with spectra of simple mixtures of amorphous and crystalline forms, the contribution of the high-density amorphous form nearly always dominates.

Network Approach to Understanding Emotion Dynamics in Relation to Childhood Trauma and Genetic Liability to Psychopathology: Replication of a Prospective Experience Sampling Analysis

PubMed Central

Hasmi, Laila; Drukker, Marjan; Guloksuz, Sinan; Menne-Lothmann, Claudia; Decoster, Jeroen; van Winkel, Ruud; Collip, Dina; Delespaul, Philippe; De Hert, Marc; Derom, Catherine; Thiery, Evert; Jacobs, Nele; Rutten, Bart P. F.; Wichers, Marieke; van Os, Jim

2017-01-01

Background: The network analysis of intensive time series data collected using the Experience Sampling Method (ESM) may provide vital information in gaining insight into the link between emotion regulation and vulnerability to psychopathology. The aim of this study was to apply the network approach to investigate whether genetic liability (GL) to psychopathology and childhood trauma (CT) are associated with the network structure of the emotions “cheerful,” “insecure,” “relaxed,” “anxious,” “irritated,” and “down”—collected using the ESM method. Methods: Using data from a population-based sample of twin pairs and siblings (704 individuals), we examined whether momentary emotion network structures differed across strata of CT and GL. GL was determined empirically using the level of psychopathology in monozygotic and dizygotic co-twins. Network models were generated using multilevel time-lagged regression analysis and were compared across three strata (low, medium, and high) of CT and GL, respectively. Permutations were utilized to calculate p values and compare regressions coefficients, density, and centrality indices. Regression coefficients were presented as connections, while variables represented the nodes in the network. Results: In comparison to the low GL stratum, the high GL stratum had significantly denser overall (p = 0.018) and negative affect network density (p < 0.001). The medium GL stratum also showed a directionally similar (in-between high and low GL strata) but statistically inconclusive association with network density. In contrast to GL, the results of the CT analysis were less conclusive, with increased positive affect density (p = 0.021) and overall density (p = 0.042) in the high CT stratum compared to the medium CT stratum but not to the low CT stratum. The individual node comparisons across strata of GL and CT yielded only very few significant results, after adjusting for multiple testing. Conclusions: The present findings demonstrate that the network approach may have some value in understanding the relation between established risk factors for mental disorders (particularly GL) and the dynamic interplay between emotions. The present finding partially replicates an earlier analysis, suggesting it may be instructive to model negative emotional dynamics as a function of genetic influence. PMID:29163289

Effects of collision cascade density on radiation defect dynamics in 3C-SiC

PubMed Central

Bayu Aji, L. B.; Wallace, J. B.; Kucheyev, S. O.

2017-01-01

Effects of the collision cascade density on radiation damage in SiC remain poorly understood. Here, we study damage buildup and defect interaction dynamics in 3C-SiC bombarded at 100 °C with either continuous or pulsed beams of 500 keV Ne, Ar, Kr, or Xe ions. We find that bombardment with heavier ions, which create denser collision cascades, results in a decrease in the dynamic annealing efficiency and an increase in both the amorphization cross-section constant and the time constant of dynamic annealing. The cascade density behavior of these parameters is non-linear and appears to be uncorrelated. These results demonstrate clearly (and quantitatively) an important role of the collision cascade density in dynamic radiation defect processes in 3C-SiC. PMID:28304397

Effects of collision cascade density on radiation defect dynamics in 3C-SiC

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

Bayu Aji, L. B.; Wallace, J. B.; Kucheyev, S. O.

Effects of the collision cascade density on radiation damage in SiC remain poorly understood. We study damage buildup and defect interaction dynamics in 3C-SiC bombarded at 100 °C with either continuous or pulsed beams of 500 keV Ne, Ar, Kr, or Xe ions. Here, we find that bombardment with heavier ions, which create denser collision cascades, results in a decrease in the dynamic annealing efficiency and an increase in both the amorphization cross-section constant and the time constant of dynamic annealing. The cascade density behavior of these parameters is non-linear and appears to be uncorrelated. Our results demonstrate clearly (andmore » quantitatively) an important role of the collision cascade density in dynamic radiation defect processes in 3C-SiC.« less

Effects of collision cascade density on radiation defect dynamics in 3C-SiC

DOE PAGES

Bayu Aji, L. B.; Wallace, J. B.; Kucheyev, S. O.

2017-03-17

Effects of the collision cascade density on radiation damage in SiC remain poorly understood. We study damage buildup and defect interaction dynamics in 3C-SiC bombarded at 100 °C with either continuous or pulsed beams of 500 keV Ne, Ar, Kr, or Xe ions. Here, we find that bombardment with heavier ions, which create denser collision cascades, results in a decrease in the dynamic annealing efficiency and an increase in both the amorphization cross-section constant and the time constant of dynamic annealing. The cascade density behavior of these parameters is non-linear and appears to be uncorrelated. Our results demonstrate clearly (andmore » quantitatively) an important role of the collision cascade density in dynamic radiation defect processes in 3C-SiC.« less

The force distribution probability function for simple fluids by density functional theory.

PubMed

Rickayzen, G; Heyes, D M

2013-02-28

Classical density functional theory (DFT) is used to derive a formula for the probability density distribution function, P(F), and probability distribution function, W(F), for simple fluids, where F is the net force on a particle. The final formula for P(F) ∝ exp(-AF(2)), where A depends on the fluid density, the temperature, and the Fourier transform of the pair potential. The form of the DFT theory used is only applicable to bounded potential fluids. When combined with the hypernetted chain closure of the Ornstein-Zernike equation, the DFT theory for W(F) agrees with molecular dynamics computer simulations for the Gaussian and bounded soft sphere at high density. The Gaussian form for P(F) is still accurate at lower densities (but not too low density) for the two potentials, but with a smaller value for the constant, A, than that predicted by the DFT theory.

Seed-predator satiation and Janzen-Connell effects vary with spatial scales for seed-feeding insects.

PubMed

Xiao, Zhishu; Mi, Xiangcheng; Holyoak, Marcel; Xie, Wenhua; Cao, Ke; Yang, Xifu; Huang, Xiaoqun; Krebs, Charles J

2017-01-01

The Janzen-Connell model predicts that common species suffer high seed predation from specialized natural enemies as a function of distance from parent trees, and consequently as a function of conspecific density, whereas the predator satiation hypothesis predicts that seed attack is reduced due to predator satiation at high seed densities. Pre-dispersal predation by insects was studied while seeds are still on parent trees, which represents a frequently overlooked stage in which seed predation occurs. Reproductive tree density and seed production were investigated from ten Quercus serrata populations located in south-west China, quantifying density-dependent pre-dispersal seed predation over two years by three insect groups. Acorn infestation was nearly twice as high in the low-seed year as that in the high-seed year, with considerable spatio-temporal variation in the direction and magnitude of density-dependent pre-dispersal seed predation evident. Across whole populations of trees, a high density of reproductive trees caused predator satiation and reduced insect attack in the high-seed year. Within individual trees, and consistent with the Janzen-Connell model, overall insect seed predation was positively correlated with seed production in the low-seed year. In addition, there was variation among insect taxa, with positive density-dependent seed predation by Curculio weevils in the high-seed year and moths in the low-seed year, but apparent density independence by Cyllorhynchites weevils in both years. The overall trend of negative density-dependent, pre-dispersal seed predation suggests that predator satiation limited the occurrence of Janzen-Connell effects across Q. serrata populations. Such effects may have large impacts on plant population dynamics and tree diversity, depending on the extent to which they are reduced by counteracting positive density-dependent predation for seeds on individual trees and other factors affecting successful recruitment. © The Author 2016. Published by Oxford University Press on behalf of the Annals of Botany Company. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

The Dominance of Dynamic Barlike Instabilities in the Evolution of a Massive Stellar Core Collapse That ``Fizzles''

NASA Astrophysics Data System (ADS)

Imamura, James N.; Durisen, Richard H.

2001-03-01

Core collapse in a massive rotating star may halt at subnuclear density if the core contains angular momentum J>~1049 g cm2 s-1. An aborted collapse can lead to the formation of a rapidly rotating equilibrium object, which, because of its high electron fraction, Ye>0.4, and high entropy per baryon, Sb/k~1-2, is secularly and dynamically stable. The further evolution of such a ``fizzler'' is driven by deleptonization and cooling of the hot, dense material. These processes cause the fizzler both to contract toward neutron star densities and to spin up, driving it toward instability points of the barlike modes. Using linear stability analyses to study the latter case, we find that the stability properties of fizzlers are similar to those of Maclaurin spheroids and polytropes despite the nonpolytropic nature and extreme compressibility of the fizzler equation of state. For fizzlers with the specific angular momentum distribution of the Maclaurin spheroids, secular and dynamic barlike instabilities set in at T/|W|~0.14 and 0.27, respectively, where T is the rotational kinetic energy and W is the gravitational energy of the fizzler, the same limits as found for Maclaurin spheroids. For fizzlers in which angular momentum is more concentrated toward the equator, the secular stability limits drop dramatically. For the most extreme angular momentum distribution we consider, the secular stability limit for the barlike modes falls to T/|W|~0.038, compared with T/|W|~0.09-0.10 for the most extreme polytropic cases known previously (Imamura et al.). For fixed equation-of-state parameters, the secular and dynamic stability limits occur at roughly constant mass over the range of typical fizzler central densities. Deleptonization and cooling decrease the limiting masses on timescales shorter than the growth time for secular instability. Consequently, unless an evolving fizzler reaches neutron star densities first, it will always encounter dynamic barlike instabilities before secular instabilities have time to grow. Quasi-linear analysis shows that the angular momentum loss during the early nonlinear evolution of the dynamic barlike instability is dominated by Newtonian self-interaction gravitational torques rather than by the emission of gravitational wave (GW) radiation. GW emission may dominate after the initial dynamic evolutionary phase ends. Nonlinear hydrodynamics simulations with a proper equation of state will be required to determine the ultimate outcome of such evolutions and to refine predictions of GW production by barlike instabilities.

High density liquid structure enhancement in glass forming aqueous solution of LiCl.

PubMed

Camisasca, G; De Marzio, M; Rovere, M; Gallo, P

2018-06-14

We investigate using molecular dynamics simulations the dynamical and structural properties of LiCl:6H 2 O aqueous solution upon supercooling. This ionic solution is a glass forming liquid of relevant interest in connection with the study of the anomalies of supercooled water. The LiCl:6H 2 O solution is easily supercooled and the liquid state can be maintained over a large decreasing temperature range. We performed simulations from ambient to 200 K in order to investigate how the presence of the salt modifies the behavior of supercooled water. The study of the relaxation time of the self-density correlation function shows that the system follows the prediction of the mode coupling theory and behaves like a fragile liquid in all the range explored. The analysis of the changes in the water structure induced by the salt shows that while the salt preserves the water hydrogen bonds in the system, it strongly affects the tetrahedral hydrogen bond network. Following the interpretation of the anomalies of water in terms of a two-state model, the modifications of the oxygen radial distribution function and the angular distribution function of the hydrogen bonds in water indicate that LiCl has the role of enhancing the high density liquid component of water with respect to the low density component. This is in agreement with recent experiments on aqueous ionic solutions.

High density liquid structure enhancement in glass forming aqueous solution of LiCl

NASA Astrophysics Data System (ADS)

Camisasca, G.; De Marzio, M.; Rovere, M.; Gallo, P.

2018-06-01

We investigate using molecular dynamics simulations the dynamical and structural properties of LiCl:6H2O aqueous solution upon supercooling. This ionic solution is a glass forming liquid of relevant interest in connection with the study of the anomalies of supercooled water. The LiCl:6H2O solution is easily supercooled and the liquid state can be maintained over a large decreasing temperature range. We performed simulations from ambient to 200 K in order to investigate how the presence of the salt modifies the behavior of supercooled water. The study of the relaxation time of the self-density correlation function shows that the system follows the prediction of the mode coupling theory and behaves like a fragile liquid in all the range explored. The analysis of the changes in the water structure induced by the salt shows that while the salt preserves the water hydrogen bonds in the system, it strongly affects the tetrahedral hydrogen bond network. Following the interpretation of the anomalies of water in terms of a two-state model, the modifications of the oxygen radial distribution function and the angular distribution function of the hydrogen bonds in water indicate that LiCl has the role of enhancing the high density liquid component of water with respect to the low density component. This is in agreement with recent experiments on aqueous ionic solutions.

High order magnetic optics for high dynamic range proton radiography at a kinetic energy of 800 MeV

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

Sjue, S. K. L., E-mail: sjue@lanl.gov; Mariam, F. G.; Merrill, F. E.

2016-01-15

Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the proton imaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the imagemore » plane. Comparison with a series of static calibration images demonstrates the model’s accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets.« less

High order magnetic optics for high dynamic range proton radiography at a kinetic energy 800 MeV

DOE PAGES

Sjue, Sky K. L.; Morris, Christopher L.; Merrill, Frank Edward; ...

2016-01-14

Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the protonimaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane.more » Furthermore, comparison with a series of static calibrationimages demonstrates the model’s accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets.« less

Dynamic slip of polydisperse linear polymers using partitioned plate

NASA Astrophysics Data System (ADS)

Ebrahimi, Marzieh; Konaganti, Vinod Kumar; Hatzikiriakos, Savvas G.

2018-03-01

The slip velocity of an industrial grade high molecular weight high-density polyethylene (HDPE) is studied in steady and dynamic shear experiments using a stress/strain controlled rotational rheometer equipped with a parallel partitioned plate geometry. Moreover, fluoroalkyl silane-based coating is used to understand the effect of surface energy on slip in steady and dynamic conditions. The multimode integral Kaye-Bernstein-Kearsley-Zapas constitutive model is applied to predict the transient shear response of the HDPE melt obtained from rotational rheometer. It is found that a dynamic slip model with a slip relaxation time is needed to adequately predict the experimental data at large shear deformations. Comparison of the results before and after coating shows that the slip velocity is largely affected by surface energy. Decreasing surface energy by coating increases slip velocity and decreases the slip relaxation time.

Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study.

PubMed

He, Yadong; Huang, Jingsong; Sumpter, Bobby G; Kornyshev, Alexei A; Qiao, Rui

2015-01-02

Understanding the dynamic charge storage in nanoporous electrodes with room-temperature ionic liquid electrolytes is essential for optimizing them to achieve supercapacitors with high energy and power densities. Herein, we report coarse-grained molecular dynamics simulations of the cyclic voltammetry of supercapacitors featuring subnanometer pores and model ionic liquids. We show that the cyclic charging and discharging of nanopores are governed by the interplay between the external field-driven ion transport and the sloshing dynamics of ions inside of the pore. The ion occupancy along the pore length depends strongly on the scan rate and varies cyclically during charging/discharging. Unlike that at equilibrium conditions or low scan rates, charge storage at high scan rates is dominated by counterions while the contribution by co-ions is marginal or negative. These observations help explain the perm-selective charge storage observed experimentally. We clarify the mechanisms underlying these dynamic phenomena and quantify their effects on the efficiency of the dynamic charge storage in nanopores.

A computationally efficient ductile damage model accounting for nucleation and micro-inertia at high triaxialities

DOE PAGES

Versino, Daniele; Bronkhorst, Curt Allan

2018-01-31

The computational formulation of a micro-mechanical material model for the dynamic failure of ductile metals is presented in this paper. The statistical nature of porosity initiation is accounted for by introducing an arbitrary probability density function which describes the pores nucleation pressures. Each micropore within the representative volume element is modeled as a thick spherical shell made of plastically incompressible material. The treatment of porosity by a distribution of thick-walled spheres also allows for the inclusion of micro-inertia effects under conditions of shock and dynamic loading. The second order ordinary differential equation governing the microscopic porosity evolution is solved withmore » a robust implicit procedure. A new Chebyshev collocation method is employed to approximate the porosity distribution and remapping is used to optimize memory usage. The adaptive approximation of the porosity distribution leads to a reduction of computational time and memory usage of up to two orders of magnitude. Moreover, the proposed model affords consistent performance: changing the nucleation pressure probability density function and/or the applied strain rate does not reduce accuracy or computational efficiency of the material model. The numerical performance of the model and algorithms presented is tested against three problems for high density tantalum: single void, one-dimensional uniaxial strain, and two-dimensional plate impact. Here, the results using the integration and algorithmic advances suggest a significant improvement in computational efficiency and accuracy over previous treatments for dynamic loading conditions.« less

The interface of SrTiO3 and H2O from density functional theory molecular dynamics

PubMed Central

Spijker, P.; Foster, A. S.

2016-01-01

We use dispersion-corrected density functional theory molecular dynamics simulations to predict the ionic, electronic and vibrational properties of the SrTiO3/H2O solid–liquid interface. Approximately 50% of surface oxygens on the planar SrO termination are hydroxylated at all studied levels of water coverage, the corresponding number being 15% for the planar TiO2 termination and 5% on the stepped TiO2-terminated surface. The lateral ordering of the hydration structure is largely controlled by covalent-like surface cation to H2O bonding and surface corrugation. We find a featureless electronic density of states in and around the band gap energy region at the solid–liquid interface. The vibrational spectrum indicates redshifting of the O–H stretching band due to surface-to-liquid hydrogen bonding and blueshifting due to high-frequency stretching vibrations of OH fragments within the liquid, as well as strong suppression of the OH stretching band on the stepped surface. We find highly varying rates of proton transfer above different SrTiO3 surfaces, owing to differences in hydrogen bond strength and the degree of dissociation of incident water. Trends in proton dynamics and the mode of H2O adsorption among studied surfaces can be explained by the differential ionicity of the Ti–O and Sr–O bonds in the SrTiO3 crystal. PMID:27713660

High-Speed Photography of Detonation Propagation in Dynamically Precompressed Liquid Explosives

NASA Astrophysics Data System (ADS)

Petel, O. E.; Higgins, A. J.; Yoshinaka, A. C.; Zhang, F.

2007-12-01

The propagation of detonation in shock-compressed nitromethane was observed with a high-speed framing camera. The test explosive, nitromethane, was compressed by a reverberating shock wave to pressures as high as 10 GPa prior to being detonated by a secondary detonation event. The pressure and density in the test explosive prior to detonation were determined using two methods: manganin stress gauge measurements and LS-DYNA simulations. The velocity of the detonation front was determined from consecutive frames and correlated to the density of the reverberating shock-compressed explosive prior to detonation. Observing detonation propagation under these non-ambient conditions provides data which can be useful in the validation of equation of state models.

Structured block copolymer thin film composites for ultra-high energy density capacitors

NASA Astrophysics Data System (ADS)

Samant, Saumil; Hailu, Shimelis; Grabowski, Christopher; Durstock, Michael; Raghavan, Dharmaraj; Karim, Alamgir

2014-03-01

Development of high energy density capacitors is essential for future applications like hybrid vehicles and directed energy weaponry. Fundamentally, energy density is governed by product of dielectric permittivity ɛ and breakdown strength Vbd. Hence, improvements in energy density are greatly reliant on improving either ɛ or Vbd or a combination of both. Polymer films are widely used in capacitors due to high Vbd and low loss but they suffer from very low permittivities. Composite dielectrics offer a unique opportunity to combine the high ɛ of inorganic fillers with the high Vbd of a polymer matrix. For enhancement of dielectric properties, it is essential to improve matrix-filler interaction and control the spatial distribution of fillers for which nanostructured block copolymers BCP act as ideal templates. We use Directed Self-assembly of block copolymers to rapidly fabricate highly aligned BCP-TiO2 composite nanostructures in thin films under dynamic thermal gradient field to synergistically combine the high ɛ of functionalized TiO2 and high Vbd of BCP matrix. The results of impact of BCP morphology, processing conditions and concentration of TiO2 on capacitor performance will be reported. U.S. Air Force of Scientific Research under contract FA9550-12-1-0306

Investigation of the dynamics of ephemeral gully erosion on arable land of the forest-steppe and steppe zone of the East of the Russian Plain from remote sensing data

NASA Astrophysics Data System (ADS)

Platoncheva, E. V.

2018-01-01

Spatio-temporal estimation of the erosion of arable soils is still an urgent task, in spite of the numerous methods of such assessments. Development of information technologies, the emergence of high and ultra-high resolution images allows reliable identification of linear forms of erosion to determine its dynamics on arable land. The study drew attention to the dynamics of the most active erosion unit - an ephemeral gully. The estimation of the dynamics was carried out on the basis of different space images for the maximum possible period (from 1986 to 2016). The cartographic method was used as the main research method. Identification of a belt of ephemeral gully erosion based on materials of multi-zone space surveys and GIS-technology of their processing was carried out. In the course of work with satellite imagery and subsequent verification of the received data on the ground, the main signs of deciphering the ephemeral gully network were determined. A methodology for geoinformation mapping of the dynamics of ephemeral gully erosion belt was developed and a system of indicators quantitatively characterizing its development on arable slopes was proposed. The evaluation of the current ephemeral gully network based on the interpretation of space images includes the definition of such indicators of ephemeral gully erosion as the density of the ephemeral gully net, the density of the ephemeral gullies, the area and linear dynamics of the ephemeral gully network. Preliminary results of the assessment of the dynamics of the belt erosion showed an increase in all quantitative indicators of ephemeral gully erosion for the observed period.

Tracking molecular dynamics without tracking: image correlation of photo-activation microscopy

NASA Astrophysics Data System (ADS)

Pandžić, Elvis; Rossy, Jérémie; Gaus, Katharina

2015-03-01

Measuring protein dynamics in the plasma membrane can provide insights into the mechanisms of receptor signaling and other cellular functions. To quantify protein dynamics on the single molecule level over the entire cell surface, sophisticated approaches such as single particle tracking (SPT), photo-activation localization microscopy (PALM) and fluctuation-based analysis have been developed. However, analyzing molecular dynamics of fluorescent particles with intermittent excitation and low signal-to-noise ratio present at high densities has remained a challenge. We overcame this problem by applying spatio-temporal image correlation spectroscopy (STICS) analysis to photo-activated (PA) microscopy time series. In order to determine under which imaging conditions this approach is valid, we simulated PA images of diffusing particles in a homogeneous environment and varied photo-activation, reversible blinking and irreversible photo-bleaching rates. Further, we simulated data with high particle densities that populated mobile objects (such as adhesions and vesicles) that often interfere with STICS and fluctuation-based analysis. We demonstrated in experimental measurements that the diffusion coefficient of the epidermal growth factor receptor (EGFR) fused to PAGFP in live COS-7 cells can be determined in the plasma membrane and revealed differences in the time-dependent diffusion maps between wild-type and mutant Lck in activated T cells. In summary, we have developed a new analysis approach for live cell photo-activation microscopy data based on image correlation spectroscopy to quantify the spatio-temporal dynamics of single proteins.

Tracking molecular dynamics without tracking: image correlation of photo-activation microscopy.

PubMed

Pandžić, Elvis; Rossy, Jérémie; Gaus, Katharina

2015-03-09

Measuring protein dynamics in the plasma membrane can provide insights into the mechanisms of receptor signaling and other cellular functions. To quantify protein dynamics on the single molecule level over the entire cell surface, sophisticated approaches such as single particle tracking (SPT), photo-activation localization microscopy (PALM) and fluctuation-based analysis have been developed. However, analyzing molecular dynamics of fluorescent particles with intermittent excitation and low signal-to-noise ratio present at high densities has remained a challenge. We overcame this problem by applying spatio-temporal image correlation spectroscopy (STICS) analysis to photo-activated (PA) microscopy time series. In order to determine under which imaging conditions this approach is valid, we simulated PA images of diffusing particles in a homogeneous environment and varied photo-activation, reversible blinking and irreversible photo-bleaching rates. Further, we simulated data with high particle densities that populated mobile objects (such as adhesions and vesicles) that often interfere with STICS and fluctuation-based analysis. We demonstrated in experimental measurements that the diffusion coefficient of the epidermal growth factor receptor (EGFR) fused to PAGFP in live COS-7 cells can be determined in the plasma membrane and revealed differences in the time-dependent diffusion maps between wild-type and mutant Lck in activated T cells. In summary, we have developed a new analysis approach for live cell photo-activation microscopy data based on image correlation spectroscopy to quantify the spatio-temporal dynamics of single proteins.

Modeling Earth's surface topography: decomposition of the static and dynamic components

NASA Astrophysics Data System (ADS)

Guerri, M.; Cammarano, F.; Tackley, P. J.

2017-12-01

Isolating the portion of topography supported by mantle convection, the so-called dynamic topography, would give us precious information on vigor and style of the convection itself. Contrasting results on the estimate of dynamic topography motivate us to analyse the sources of uncertainties affecting its modeling. We obtain models of mantle and crust density, leveraging on seismic and mineral physics constraints. We use the models to compute isostatic topography and residual topography maps. Estimates of dynamic topography and associated synthetic geoid are obtained by instantaneous mantle flow modeling. We test various viscosity profiles and 3D viscosity distributions accounting for inferred lateral variations in temperature. We find that the patterns of residual and dynamic topography are robust, with an average correlation coefficient of 0.74 and 0.71, respectively. The amplitudes are however poorly constrained. For the static component, the considered lithospheric mantle density models result in topographies that differ, on average, 720 m, with peaks reaching 1.7 km. The crustal density models produce variations in isostatic topography averaging 350 m, with peaks of 1 km. For the dynamic component, we obtain peak-to-peak topography amplitude exceeding 3 km for all the tested mantle density and viscosity models. Such values of dynamic topography produce geoid undulations that are not in agreement with observations. Assuming chemical heterogeneities in the lower mantle, in correspondence with the LLSVPs (Large Low Shear wave Velocity Provinces), helps to decrease the amplitudes of dynamic topography and geoid, but reduces the correlation between synthetic and observed geoid. The correlation coefficients between the residual and dynamic topography maps is always less than 0.55. In general, our results indicate that, i) current knowledge of crust density, mantle density and mantle viscosity is still limited, ii) it is important to account for all the various sources of uncertainties when computing static and dynamic topography. In conclusion, a multidisciplinary approach, which involves multiple geophysics observations and constraints from mineral physics, is necessary for obtaining robust density models and, consequently, for properly estimating the dynamic topography.

FIR Detector Sensitivity, Dynamic Range, and Multiplexing Requirements for the Origins Space Telescope (OST)

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.

Modeling the impact of Plasmodium falciparum sexual stage immunity on the composition and dynamics of the human infectious reservoir for malaria in natural settings.

PubMed

Ouédraogo, André Lin; Eckhoff, Philip A; Luty, Adrian J F; Roeffen, Will; Sauerwein, Robert W; Bousema, Teun; Wenger, Edward A

2018-05-01

Malaria transmission remains high in Sub-Saharan Africa despite large-scale implementation of malaria control interventions. A comprehensive understanding of the transmissibility of infections to mosquitoes may guide the design of more effective transmission reducing strategies. The impact of P. falciparum sexual stage immunity on the infectious reservoir for malaria has never been studied in natural settings. Repeated measurements were carried out at start-wet, peak-wet and dry season, and provided data on antibody responses against gametocyte/gamete antigens Pfs48/45 and Pfs230 as anti-gametocyte immunity. Data on high and low-density infections and their infectiousness to anopheline mosquitoes were obtained using quantitative molecular methods and mosquito feeding assays, respectively. An event-driven model for P. falciparum sexual stage immunity was developed and fit to data using an agent based malaria model infrastructure. We found that Pfs48/45 and Pfs230 antibody densities increased with increasing concurrent gametocyte densities; associated with 55-70% reduction in oocyst intensity and achieved up to 44% reduction in proportions of infected mosquitoes. We showed that P. falciparum sexual stage immunity significantly reduces transmission of microscopic (p < 0.001) but not submicroscopic (p = 0.937) gametocyte infections to mosquitoes and that incorporating sexual stage immunity into mathematical models had a considerable impact on the contribution of different age groups to the infectious reservoir of malaria. Human antibody responses to gametocyte antigens are likely to be dependent on recent and concurrent high-density gametocyte exposure and have a pronounced impact on the likelihood of onward transmission of microscopic gametocyte densities compared to low density infections. Our mathematical simulations indicate that anti-gametocyte immunity is an important factor for predicting and understanding the composition and dynamics of the human infectious reservoir for malaria.

Human Social Behavior and Demography Drive Patterns of Fine-Scale Dengue Transmission in Endemic Areas of Colombia

PubMed Central

Padmanabha, Harish; Correa, Fabio; Rubio, Camilo; Baeza, Andres; Osorio, Salua; Mendez, Jairo; Jones, James Holland; Diuk-Wasser, Maria A

2015-01-01

Dengue is known to transmit between humans and A. aegypti mosquitoes living in neighboring houses. Although transmission is thought to be highly heterogeneous in both space and time, little is known about the patterns and drivers of transmission in groups of houses in endemic settings. We carried out surveys of PCR positivity in children residing in 2-block patches of highly endemic cities of Colombia. We found high levels of heterogeneity in PCR positivity, varying from less than 30% in 8 of the 10 patches to 56 and 96%, with the latter patch containing 22 children simultaneously PCR positive (PCR22) for DEN2. We then used an agent-based model to assess the likely eco-epidemiological context of this observation. Our model, simulating daily dengue dynamics over a 20 year period in a single two block patch, suggests that the observed heterogeneity most likely derived from variation in the density of susceptible people. Two aspects of human adaptive behavior were critical to determining this density: external social relationships favoring viral introduction (by susceptible residents or infectious visitors) and immigration of households from non-endemic areas. External social relationships generating frequent viral introduction constituted a particularly strong constraint on susceptible densities, thereby limiting the potential for explosive outbreaks and dampening the impact of heightened vectorial capacity. Dengue transmission can be highly explosive locally, even in neighborhoods with significant immunity in the human population. Variation among neighborhoods in the density of local social networks and rural-to-urban migration is likely to produce significant fine-scale heterogeneity in dengue dynamics, constraining or amplifying the impacts of changes in mosquito populations and cross immunity between serotypes. PMID:26656072

Human Social Behavior and Demography Drive Patterns of Fine-Scale Dengue Transmission in Endemic Areas of Colombia.

PubMed

Padmanabha, Harish; Correa, Fabio; Rubio, Camilo; Baeza, Andres; Osorio, Salua; Mendez, Jairo; Jones, James Holland; Diuk-Wasser, Maria A

2015-01-01

Dengue is known to transmit between humans and A. aegypti mosquitoes living in neighboring houses. Although transmission is thought to be highly heterogeneous in both space and time, little is known about the patterns and drivers of transmission in groups of houses in endemic settings. We carried out surveys of PCR positivity in children residing in 2-block patches of highly endemic cities of Colombia. We found high levels of heterogeneity in PCR positivity, varying from less than 30% in 8 of the 10 patches to 56 and 96%, with the latter patch containing 22 children simultaneously PCR positive (PCR22) for DEN2. We then used an agent-based model to assess the likely eco-epidemiological context of this observation. Our model, simulating daily dengue dynamics over a 20 year period in a single two block patch, suggests that the observed heterogeneity most likely derived from variation in the density of susceptible people. Two aspects of human adaptive behavior were critical to determining this density: external social relationships favoring viral introduction (by susceptible residents or infectious visitors) and immigration of households from non-endemic areas. External social relationships generating frequent viral introduction constituted a particularly strong constraint on susceptible densities, thereby limiting the potential for explosive outbreaks and dampening the impact of heightened vectorial capacity. Dengue transmission can be highly explosive locally, even in neighborhoods with significant immunity in the human population. Variation among neighborhoods in the density of local social networks and rural-to-urban migration is likely to produce significant fine-scale heterogeneity in dengue dynamics, constraining or amplifying the impacts of changes in mosquito populations and cross immunity between serotypes.

Analysis of Dynamic Avalanche Phenomenon in SOI Lateral High-speed Diode during Reverse Recovery and Development of a Novel Device Structure for Suppressing Dynamic Avalanche

NASA Astrophysics Data System (ADS)

Tokura, Norihito; Yamamoto, Takao; Kato, Hisato; Nakagawa, Akio

We have studied the dynamic avalanche phenomenon in an SOI lateral diode during reverse recovery by using a mixed-mode device simulation. In the study, it has been found that local impact ionization occurs near an anode-side field oxide edge, where a high-density hole current flows and a high electric field appears simultaneously. We propose that a p-type anode extension region (AER) along a trench side wall effectively sweeps out stored carriers beneath an anode p-diffusion layer during reverse recovery, resulting in reduction of the electric field and remarkable suppression of the dynamic avalanche. The AER reduces the total recovery charge and does not cause any increase in the total stored charge under a forward bias operation. This effect is verified experimentally by the fabricated device with AER. Thus, the developed SOI lateral diode is promising as a high-speed and highly rugged free-wheeling diode, which can be integrated into next-generation SOI microinverters.

Dynamics of molecules in extreme rotational states

PubMed Central

Yuan, Liwei; Teitelbaum, Samuel W.; Robinson, Allison; Mullin, Amy S.

2011-01-01

We have constructed an optical centrifuge with a pulse energy that is more than 2 orders of magnitude larger than previously reported instruments. This high pulse energy enables us to create large enough number densities of molecules in extreme rotational states to perform high-resolution state-resolved transient IR absorption measurements. Here we report the first studies of energy transfer dynamics involving molecules in extreme rotational states. In these studies, the optical centrifuge drives CO2 molecules into states with J ∼ 220 and we use transient IR probing to monitor the subsequent rotational, translational, and vibrational energy flow dynamics. The results reported here provide the first molecular insights into the relaxation of molecules with rotational energy that is comparable to that of a chemical bond.

Study on the PTC/NTC effect of carbon black-filled polymer composites

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

Tang, Hao; Chen, Xinfang; Luo, Yunxia

1995-12-01

In this work, the effect of processing condition and radiation-crosslinking on the electrical and dynamic behaviors of carbon black filled low density polyethylene (LDPE) composites were investigated. Compared with the solution counterpart, the mechanical composites have a strong PTC effect and a great dynamic elastic mold, which results from the strong interaction between carbon black and LDPE. The experiment result shows that the NTC effect is caused by the decrease of elastic mold of LDPE at high temperature, and it can be declined significantly by radiation-crosslinking. We conclude that the strong interaction between polymer and carbon black is essentially importantmore » for composites to have a great PTC intensity good electrical reproducibility and high dynamic elastic sold.« less

Dynamics of Lithium Polymer Electrolytes using X-ray Photon Correlation Spectroscopy and Rheology

NASA Astrophysics Data System (ADS)

Oparaji, Onyekachi; Narayanan, Suresh; Sandy, Alec; Hallinan, Daniel, Jr.

Polymer electrolytes are promising materials for high energy density rechargeable batteries. Battery fade can be caused by structural evolution in the battery electrode and loss of electrode/electrolyte adhesion during cycling. Both of these effects are dependent on polymer mechanical properties. In addition, cycling rate is dictated by the ion mobility of the polymer electrolyte. Lithium ion mobility is expected to be strongly coupled to polymer dynamics. Therefore, we investigate polymer dynamics as a function of salt concentration using X-ray Photon Correlation Spectroscopy (XPCS) and rheology. We report the influence of lithium salt concentration on the structural relaxation time (XPCS) and stress relaxation time (rheology) of high molecular weight poly(styrene - ethylene oxide) block copolymer membranes.

In vivo dynamic compression has less detrimental effect than static compression on newly formed bone of a rat caudal vertebra

PubMed Central

Benoit, A.; Mustafy, T.; Londono, I.; Grimard, G.; Aubin, C-E.; Villemure, I.

2016-01-01

Fusionless devices are currently designed to treat spinal deformities such as scoliosis by the application of a controlled mechanical loading. Growth modulation by dynamic compression was shown to preserve soft tissues. The objective of this in vivo study was to characterize the effect of static vs. dynamic loading on the bone formed during growth modulation. Controlled compression was applied during 15 days on the 7th caudal vertebra (Cd7) of rats during growth spurt. The load was sustained in the “static” group and sinusoidally oscillating in the “dynamic” group. The effect of surgery and of the device was investigated using control and sham (operated on but no load applied) groups. A high resolution CT-scan of Cd7 was acquired at days 2, 8 and 15 of compression. Growth rates, histomorphometric parameters and mineral density of the newly formed bone were quantified and compared. Static and dynamic loadings significantly reduced the growth rate by 20% compared to the sham group. Dynamic loading preserved newly formed bone histomorphometry and mineral density whereas static loading induced thicker (+31%) and more mineralized (+12%) trabeculae. A significant sham effect was observed. Growth modulation by dynamic compression constitutes a promising way to develop new treatment for skeletal deformities. PMID:27609036

Target surface area effects on hot electron dynamics from high intensity laser–plasma interactions

DOE PAGES

Zulick, C.; Raymond, A.; McKelvey, A.; ...

2016-06-15

Reduced surface area targets were studied using an ultra-high intensity femtosecond laser in order to determine the effect of electron sheath field confinement on electron dynamics. X-ray emission due to energetic electrons was imaged using a K α imaging crystal. Electrons were observed to travel along the surface of wire targets, and were slowed mainly by the induced fields. Targets with reduced surface areas were correlated with increased hot electron densities and proton energies. Furthermore, Hybrid Vlasov–Fokker–Planck simulations demonstrated increased electric sheath field strength in reduced surface area targets.

Effective model hierarchies for dynamic and static classical density functional theories

NASA Astrophysics Data System (ADS)

Majaniemi, S.; Provatas, N.; Nonomura, M.

2010-09-01

The origin and methodology of deriving effective model hierarchies are presented with applications to solidification of crystalline solids. In particular, it is discussed how the form of the equations of motion and the effective parameters on larger scales can be obtained from the more microscopic models. It will be shown that tying together the dynamic structure of the projection operator formalism with static classical density functional theories can lead to incomplete (mass) transport properties even though the linearized hydrodynamics on large scales is correctly reproduced. To facilitate a more natural way of binding together the dynamics of the macrovariables and classical density functional theory, a dynamic generalization of density functional theory based on the nonequilibrium generating functional is suggested.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

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

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE PAGES

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

2015-06-26

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

The interplay between seasonality and density: consequences for female breeding decisions in a small cyclic herbivore

PubMed Central

2014-01-01

Background Cyclic rodent population dynamics are subjected to both intrinsic regulatory processes such as density-dependence and extrinsic environmental forcing. Among extrinsic factors, seasonal environmental variation is understood to facilitate cycles. In rodents, these processes have been studied mostly independently and their relative importance for population dynamics is poorly known. Results We performed a detailed analysis of common vole (Microtus arvalis) reproduction in a cyclic population using a spatially extensive data set over 17 years in central-western France. Environmental seasonality was the main source of explained variation in common vole reproduction. Additionally, inter-annual variation in the environment explained a smaller part of the variance in reproduction in spring and summer than in winter, whereas the effect of density was only found in autumn and winter. In particular, we detected a strong impact of plant productivity on fecundity during the breeding season, with low vegetation productivity being able to bring vole reproduction nearly to a halt. In contrast, vole reproduction during autumn and winter was mainly shaped by intrinsic factors, with only the longer and heavier females being able to reproduce. The effect of population density on reproduction was negative, mediated by direct negative effects on the proportion of breeders in autumn and winter during outbreak years and by a delayed negative effect on litter size the following year. Conclusions During the main breeding season, variability of female vole reproduction is predominantly shaped by food resources, suggesting that only highly productive environment may induce vole outbreaks. During fall and winter, variability of female vole reproduction is mainly controlled by intrinsic factors, with high population density suppressing reproduction. This suggests, in this cyclic population, that negative direct density dependence on reproduction could explain winter declines after outbreaks. PMID:24886481

The interplay between seasonality and density: consequences for female breeding decisions in a small cyclic herbivore.

PubMed

Pinot, Adrien; Gauffre, Bertrand; Bretagnolle, Vincent

2014-05-28

Cyclic rodent population dynamics are subjected to both intrinsic regulatory processes such as density-dependence and extrinsic environmental forcing. Among extrinsic factors, seasonal environmental variation is understood to facilitate cycles. In rodents, these processes have been studied mostly independently and their relative importance for population dynamics is poorly known. We performed a detailed analysis of common vole (Microtus arvalis) reproduction in a cyclic population using a spatially extensive data set over 17 years in central-western France. Environmental seasonality was the main source of explained variation in common vole reproduction. Additionally, inter-annual variation in the environment explained a smaller part of the variance in reproduction in spring and summer than in winter, whereas the effect of density was only found in autumn and winter. In particular, we detected a strong impact of plant productivity on fecundity during the breeding season, with low vegetation productivity being able to bring vole reproduction nearly to a halt. In contrast, vole reproduction during autumn and winter was mainly shaped by intrinsic factors, with only the longer and heavier females being able to reproduce. The effect of population density on reproduction was negative, mediated by direct negative effects on the proportion of breeders in autumn and winter during outbreak years and by a delayed negative effect on litter size the following year. During the main breeding season, variability of female vole reproduction is predominantly shaped by food resources, suggesting that only highly productive environment may induce vole outbreaks. During fall and winter, variability of female vole reproduction is mainly controlled by intrinsic factors, with high population density suppressing reproduction. This suggests, in this cyclic population, that negative direct density dependence on reproduction could explain winter declines after outbreaks.

Long-term analysis of spatio-temporal patterns in population dynamics and demography of juvenile Pinfish (Lagodon rhomboides)

NASA Astrophysics Data System (ADS)

Chacin, D. H.; Switzer, T. S.; Ainsworth, C. H.; Stallings, C. D.

2016-12-01

In estuarine systems, proximity to the ocean has the potential to directly and indirectly drive patterns of fish distribution and population dynamics. To test this hypothesis, we conducted a comprehensive analysis of fisheries-independent data and quantified patterns of density, biomass, and growth rates of juvenile Pinfish (Lagodon rhomboides) across spatial and temporal scales in Tampa Bay, Florida, USA. Spatially, the highest density and biomass were found in the outermost regions (closest to the Gulf of Mexico) of the Bay, and these patterns were generally consistent temporally. Inter-annually, Pinfish density and biomass were the highest during periods coinciding with favorable oceanographic conditions (e.g., anomalously intense and prolonged upwelling) for across-shelf transport of larvae from spawning grounds in the Gulf to Tampa Bay. Intra-annually, density and biomass were the highest during spring and summer likely due to the combined effects of spawning timing (and delivery of new settlers), and high somatic growth fueled by increased secondary and primary productivity. Declines in density and biomass during the late summer through early winter were possibly due to high post-settlement mortality and egress to offshore habitats. Pinfish increased predictably in size across the months of the calendar year, and tended to be larger and grew faster in the innermost regions of the Bay, which were located farthest from the Gulf. Pinfish density was related to the proximity to the Gulf of Mexico, with the outermost regions of the Bay having greater seagrass cover, higher salinity, and being closer to the offshore larval pool where spawning occurs. Thus, this study provided evidence that distance to the ocean was an important driver of biotic and abiotic factors that influenced Pinfish demographic rates across spatial and temporal scales in the largest estuary in Florida.

Recent corrections to meteoroid environment models

NASA Astrophysics Data System (ADS)

Moorhead, A.; Brown, P.; Campbell-Brown, M. D.; Moser, D. E.; Blaauw, R. C.; Cooke, W.

2017-12-01

The dynamical and physical characteristics of a meteoroid affects its behavior in the atmosphere and the damage it does to spacecraft surfaces. Accurate environment models must therefore correctly describe the speed, size, density, and direction of meteoroids. However, the measurement of dynamical characteristics such as speed is subject to observational biases, and physical properties such as size and density cannot be directly measured. De-biasing techniques and proxies are needed to overcome these challenges. In this presentation, we discuss several recent improvements to the derivation of the meteoroid velocity, directionality, and bulk density distributions. We derive our speed distribution from observations made by the Canadian Meteor Orbit Radar. These observations are de-biased using modern descriptions of the ionization efficiency and sharpened to remove the effects of measurement uncertainty, and the result is a meteoroid speed distribution that is skewed slower than in previous analyses. We also adopt a higher fidelity density distribution than that used by many older models. In our distribution, meteoroids with TJ < 2 are assigned to a low-density population, while those with TJ > 2 have higher densities. This division and the distributions themselves are derived from the densities reported by Kikwaya et al. (2009, 2011). These changes have implications for the environment. For instance, helion and antihelion meteors have lower speeds and higher densities than apex and toroidal meteors. A slower speed distribution therefore corresponds to a sporadic environment that is more completely dominated by the helion and antihelion sources than in previous models. Finally, assigning these meteors high densities further increases their significance from a spacecraft damage perspective.

Recent Corrections to Meteoroid Environment Models

NASA Technical Reports Server (NTRS)

Moorhead, A. V.; Brown, P. G.; Campbell-Brown, M. D.; Moser, D. E.; Blaauw, R. C.; Cooke, W. J.

2017-01-01

The dynamical and physical characteristics of a meteoroid affects its behavior in the atmosphere and the damage it does to spacecraft surfaces. Accurate environment models must therefore correctly describe the speed, size, density, and direction of meteoroids. However, the measurement of dynamical characteristics such as speed is subject to observational biases, and physical properties such as size and density cannot be directly measured. De-biasing techniques and proxies are needed to overcome these challenges. In this presentation, we discuss several recent improvements to the derivation of the meteoroid velocity, directionality, and bulk density distributions. We derive our speed distribution from observations made by the Canadian Meteor Orbit Radar. These observations are de-biased using modern descriptions of the ionization efficiency and sharpened to remove the effects of measurement uncertainty, and the result is a meteoroid speed distribution that is skewed slower than in previous analyses. We also adopt a higher fidelity density distribution than that used by many older models. In our distribution, meteoroids with T(sub J) less than 2 are assigned to a low-density population, while those with T(sub J) greater than 2 have higher densities. This division and the distributions themselves are derived from the densities reported by Kikwaya et al. (2009, 2011). These changes have implications for the environment. For instance, helion and antihelion meteors have lower speeds and higher densities than apex and toroidal meteors. A slower speed distribution therefore corresponds to a sporadic environment that is more completely dominated by the helion and antihelion sources than in previous models. Finally, assigning these meteors high densities further increases their significance from a spacecraft damage perspective.

Water Dynamics at Protein-Protein Interfaces: Molecular Dynamics Study of Virus-Host Receptor Complexes.

PubMed

Dutta, Priyanka; Botlani, Mohsen; Varma, Sameer

2014-12-26

The dynamical properties of water at protein-water interfaces are unlike those in the bulk. Here we utilize molecular dynamics simulations to study water dynamics in interstitial regions between two proteins. We consider two natural protein-protein complexes, one in which the Nipah virus G protein binds to cellular ephrin B2 and the other in which the same G protein binds to ephrin B3. While the two complexes are structurally similar, the two ephrins share only a modest sequence identity of ∼50%. X-ray crystallography also suggests that these interfaces are fairly extensive and contain exceptionally large amounts of waters. We find that while the interstitial waters tend to occupy crystallographic sites, almost all waters exhibit residence times of less than hundred picoseconds in the interstitial region. We also find that while the differences in the sequence of the two ephrins result in quantitative differences in the dynamics of interstitial waters, the trends in the shifts with respect to bulk values are similar. Despite the high wetness of the protein-protein interfaces, the dynamics of interstitial waters are considerably slower compared to the bulk-the interstitial waters diffuse an order of magnitude slower and have 2-3 fold longer hydrogen bond lifetimes and 2-1000 fold slower dipole relaxation rates. To understand the role of interstitial waters, we examine how implicit solvent models compare against explicit solvent models in producing ephrin-induced shifts in the G conformational density. Ephrin-induced shifts in the G conformational density are critical to the allosteric activation of another viral protein that mediates fusion. We find that in comparison with the explicit solvent model, the implicit solvent model predicts a more compact G-B2 interface, presumably because of the absence of discrete waters at the G-B2 interface. Simultaneously, we find that the two models yield strikingly different induced changes in the G conformational density, even for those residues whose conformational densities in the apo state are unaffected by the treatment of the bulk solvent. Together, these results show that the explicit treatment of interstitial water molecules is necessary for a proper description of allosteric transitions.

Ultrafast dynamics of Al-doped zinc oxide under optical excitation (Presentation Recording)

NASA Astrophysics Data System (ADS)

Kinsey, Nathaniel; DeVault, Clayton T.; Kim, Jongbum; Ferrera, Marcello; Kildishev, Alexander V.; Shalaev, Vladimir M.; Boltasseva, Alexandra

2015-09-01

There is a continual need to explore new and promising dynamic materials to power next-generation switchable devices. In recent years, transparent conducting oxides have been shown to be vital materials for such systems, allowing for both optical and electrical tunability. Using a pump-probe technique, we investigate the optical tunability of CMOS-compatible, highly aluminum doped zinc oxide (AZO) thin films. The sample was pumped at 325 nm and probed with a weak beam at 1.3 μm to determine the timescale and magnitude of the changes by altering the temporal delay between the pulses with a delay line. For an incident fluence of 3.9 mJ/cm2 a change of 40% in reflection and 30% (max 6.3dB/μm modulation depth) in transmission is observed which is fully recovered within 1ps. Using a computational model, the experimental results were fitted for the given fluence allowing the recombination time and induced carrier density to be extracted. For a fluence of 3.9 mJ/cm2 the average excess carrier density within the material is 0.7×10^20cm-3 and the recombination time is 88fs. The ultrafast temporal response is the result of Auger recombination due to the extremely high carrier concentration present in our films, ~10^21 cm-3. By measuring and fitting the results at several incident fluence levels, the recombination time versus carrier density was determined and fitted with an Auger model resulting in an Auger coefficient of C = 1.03×10^20cm6/sec. Consequently, AZO is shown to be a unique, promising, and CMOS-compatible material for high performance dynamic devices in the near future.

Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

PubMed

Kwasniok, Frank

2013-11-01

A time series analysis method for predicting the probability density of a dynamical system is proposed. A nonstationary parametric model of the probability density is estimated from data within a maximum likelihood framework and then extrapolated to forecast the future probability density and explore the system for critical transitions or tipping points. A full systematic account of parameter uncertainty is taken. The technique is generic, independent of the underlying dynamics of the system. The method is verified on simulated data and then applied to prediction of Arctic sea-ice extent.

Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular Dynamics.

PubMed

Luber, Sandra

2017-03-14

We describe the calculation of Raman optical activity (ROA) tensors from density functional perturbation theory, which has been implemented into the CP2K software package. Using the mixed Gaussian and plane waves method, ROA spectra are evaluated in the double-harmonic approximation. Moreover, an approach for the calculation of ROA spectra by means of density functional theory-based molecular dynamics is derived and used to obtain an ROA spectrum via time correlation functions, which paves the way for the calculation of ROA spectra taking into account anharmonicities and dynamic effects at ambient conditions.

Implications of black-tailed prairie dog spatial dynamics to black-footed ferrets

USGS Publications Warehouse

Jachowski, D.S.; Millspaugh, J.J.; Biggins, D.E.; Livieri, T.M.; Matchett, M.R.

2008-01-01

The spatial dynamics of black-tailed prairie dog (Cynomys ludovicianus) colonies affect the utility of these environments for other wildlife, including the endangered black-footed ferret (Mustela nigripes). We used location data of active and inactive black-tailed prairie dog burrows to investigate colony structure, spatial distribution, and patch dynamics of two colonies at ferret recovery sites. We used kernel-based utilization distributions (UDs) of active and inactive burrows from two time periods (six and 11 years apart) as the basis for our analysis. Overall, the total extent of our prairie dog colonies changed little over time. However, within colonies, areas with high densities of active and inactive prairie dog burrows formed patches and the distribution of these patches changed in size, shape, and connectivity over time. At the Conata Basin site, high-density active burrow patches increased in total area covered while decreasing in connectivity as they shifted towards the perimeter of the colony over time. At the UL Bend site, we observed a similar but less pronounced shift over a longer period of time. At both sites, while at a large scale it appeared that prairie dogs were simply shifting areas of activity towards the perimeter of colonies and abandoning the center of colonies, we observed a dynamic interaction between areas of active and inactive burrows within colonies over time. Areas that previously contained inactive burrows tended to become active, and vice versa, leading us to hypothesize that there are shifts of activity areas within colonies over time as dictated by forage availability. The spatial dynamics we observed have important implications for techniques to estimate the suitability of ferret habitat and for the management of prairie dog colonies. First, fine-scale techniques for measuring prairie dog colonies that account for their patchy spatial distribution are needed to better assess ferret habitat suitability. Second, the shift of high-density areas of active prairie dog burrows, likely associated with changes in vegetation, suggests that through the management of vegetation we might be able to indirectly improve habitat for ferrets. Finally, we found that prairie dog distributions within a colony are a naturally dynamic process and that management strategies should consider the long-term value of both active and inactive areas within colonies.

Spin dynamics and thermal stability in L10 FePt

NASA Astrophysics Data System (ADS)

Chen, Tianran; Toomey, Wahida

Increasing the data storage density of hard drives remains one of the continuing goals in magnetic recording technology. A critical challenge for increasing data density is the thermal stability of the written information, which drops rapidly as the bit size gets smaller. To maintain good thermal stability in small bits, one should consider materials with high anisotropy energy such as L10 FePt. High anisotropy energy nevertheless implies high coercivity, making it difficult to write information onto the disk. This issue can be overcome by a new technique called heat-assisted magnetic recording, where a laser is used to locally heat the recording medium to reduce its coercivity while retaining relatively good thermal stability. Many of the microscopic magnetic properties of L10 FePt, however, have not been theoretically well understood. In this poster, I will focus on a single L10 FePt grain, typically of a few nanometers. Specifically, I will discuss its critical temperature, size effect and, in particular, spin dynamics in the writing process, a key to the success of heat-assisted magnetic recording. WCU URF16.

Particle-In-Cell Simulations of Asymmetric Dual Frequency Capacitive Discharge Physics

NASA Astrophysics Data System (ADS)

Wu, Alan; Lichtenberg, A. J.; Lieberman, M. A.; Verboncoeur, J. P.

2003-10-01

Dual frequency capacitive discharges are finding increasing use for etching in the microelectronics industry. In the ideal case, the high frequency power (typically 27.1-160 MHz) controls the plasma density and the low frequency power (typically 2-13.56 MHz) controls the ion energy. The electron power deposition and the dynamics of dual frequency rf sheaths are not well understood. We report on particle-in-cell computer simulations of an asymmetric dual frequency argon discharge. The simulations are performed in 1D (radial) geometry using the bounded electrostatic code XPDP1. Operating parameters are 27.1/2 MHz high/low frequencies, 10/13 cm inner/outer radii, 3-200 mTorr pressures, and 10^9-10^11 cm-3 densities. We determine the power deposition and sheath dynamics for the high frequency power alone, and with various added low frequency powers. We compare the simulation results to simple global models of dual frequency discharges. Support provided by Lam Research, NSF Grant ECS-0139956, California industries, and UC-SMART Contract SM99-10051.

Decrease in optical density as a results of germination of Alicyclobacillus acidoterrestris spores under high hydrostatic pressure

NASA Astrophysics Data System (ADS)

Porębska, I.; Rutkowska, M.; Sokołowska, B.

2015-01-01

Alicyclobacillus acidoterrestris is a spore-forming bacterium, causing spoilage of juices. The spores of these bacteria have the ability to survive in the typical conditions used for thermal pasteurization. Therefore, the use of other techniques such as high hydrostatic pressure is considered for their inactivation. The effect of hydrostatic pressure of 200-500 MPa, at temperatures 4-50 °C for 15 min, on the dynamics of germination of A. acidoterrestris spores in apple juice and pH 4 buffer was studied. To estimate the share of germinated spores, the method of determining the optical density at a wavelength of 660 nm (OD660) was used. Parameters of hydrostatic pressure treatment used in this work affected the dynamics of germination of A. acidoterrestris spores in apple juice, and the temperature had the greatest effect. The results indicate that nutrients present in apple juice can promote the germination of A. acidoterrestris spores. This paper was presented at the 8th International Conference on High Pressure Bioscience & Biotechnology (HPBB 2014) in Nantes (France) 15-18 July 2014.

Measurements of fast ion spatial dynamics during magnetic activity in the RFP

NASA Astrophysics Data System (ADS)

Goetz, J. A.; Anderson, J. K.; Bonofiglo, P.; Kim, J.; McConnell, R.; Magee, R. M.

2017-10-01

Fast ions in the RFP are only weakly affected by a stochastic magnetic field and behave nearly classically in concentration too low to excite Alfvenic activity. At high fast ion concentration sourced by H-NBI in 300kA RFP discharges, a substantial drop in core-localized high pitch fast ions is observed during bursts of coupled EPM and IAE (magnetic island-induced Alfven eigenmode) activity (100-200kHz) through neutral particle analysis. Sourcing instead fast deuterium with NBI, the DD fusion products can measure the dynamics of the fast ion density profile. Both a collimated neutron detector and a new 3MeV fusion proton detector loaned by TriAlpha Energy measure the fast ion density profile with 5cm spatial resolution and 100 μs temporal resolution. In D-NBI, the bursting EPM is excited at slightly lower frequency and the IAE activity is nearly absent, likely due to an isotope effect and loss of wave-particle interaction. In these cases, neutral particle analysis shows little change in the core-localized high pitch fast ion content, and the fusion product profile indicates little change in the fast ion density profile, leaving unexplained the mechanism removing EPM drive. We measure a substantial redistribution of the fast ion profile due to strong lower-frequency ( 30kHz) MHD activity that accompanies the current profile relaxation in the RFP. Profile flattening is strongest in low bulk density discharges, which often occur with a total increase in global neutron flux from acceleration of the beam ions. Work supported by US DoE.

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

PubMed Central

Fratanduono, Dayne E.; Coppari, Federica; Newman, Matthew G.; Duffy, Thomas S.

2018-01-01

The high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as 10 times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ x-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-Si alloy with 7 weight % (wt %) Si adopts the hexagonal close-packed structure over the measured pressure range, whereas Fe-15wt%Si is observed in a body-centered cubic structure. This study represents the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3–Earth mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for these planets. PMID:29707632

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

DOE PAGES

Wicks, June K.; Smith, Raymond F.; Fratanduono, Dayne E.; ...

2018-04-25

In this paper, the high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study representsmore » the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.« less

Swarming Patterns in a Two-Dimensional Kinematic Model for Biological Groups

NASA Astrophysics Data System (ADS)

Topaz, Chad

2004-03-01

We construct a continuum model for the motion of biological organisms experiencing social interactions and study its pattern-forming behavior. The model takes the form of a conservation law in two spatial dimensions. Social interactions are modeled in the velocity term, which is nonlocal in the population density. The dynamics of the model may be uniquely decomposed into incompressible motion and potential motion. For the purely incompressible case, the model resembles that for fluid dynamical vortex patches. There exist solutions that have constant population density and compact support for all time. Numerical simulations produce rotating structures with circular cores and spiral arms, reminiscent of naturally observed swarms such as ant mills. For the purely potential case, the model resembles a nonlocal (forwards or backwards) porous media equation, describing aggregation or dispersion of the population. For the aggregative case, the population clumps into regions of high and low density with a predictable characteristic length scale that is confirmed by numerical simulations.

Drag Coefficient Estimation in Orbit Determination

NASA Astrophysics Data System (ADS)

McLaughlin, Craig A.; Manee, Steve; Lichtenberg, Travis

2011-07-01

Drag modeling is the greatest uncertainty in the dynamics of low Earth satellite orbits where ballistic coefficient and density errors dominate drag errors. This paper examines fitted drag coefficients found as part of a precision orbit determination process for Stella, Starlette, and the GEOSAT Follow-On satellites from 2000 to 2005. The drag coefficients for the spherical Stella and Starlette satellites are assumed to be highly correlated with density model error. The results using MSIS-86, NRLMSISE-00, and NRLMSISE-00 with dynamic calibration of the atmosphere (DCA) density corrections are compared. The DCA corrections were formulated for altitudes of 200-600 km and are found to be inappropriate when applied at 800 km. The yearly mean fitted drag coefficients are calculated for each satellite for each year studied. The yearly mean drag coefficients are higher for Starlette than Stella, where Starlette is at a higher altitude. The yearly mean fitted drag coefficients for all three satellites decrease as solar activity decreases after solar maximum.

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

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

Wicks, June K.; Smith, Raymond F.; Fratanduono, Dayne E.

In this paper, the high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study representsmore » the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.« less

Real-time observation of fluctuations in a driven-dissipative quantum many-body system undergoing a phase transition

NASA Astrophysics Data System (ADS)

Donner, Tobias

2015-03-01

A Bose-Einstein condensate whose motional degrees of freedom are coupled to a high-finesse optical cavity via a transverse pump beam constitutes a dissipative quantum many-body system with long range interactions. These interactions can induce a structural phase transition from a flat to a density-modulated state. The transverse pump field simultaneously represents a probe of the atomic density via cavity- enhanced Bragg scattering. By spectrally analyzing the light field leaking out of the cavity, we measure non-destructively the dynamic structure factor of the fluctuating atomic density while the system undergoes the phase transition. An observed asymmetry in the dynamic structure factor is attributed to the coupling to dissipative baths. Critical exponents for both sides of the phase transition can be extracted from the data. We further discuss our progress in adding strong short-range interactions to this system, in order to explore Bose-Hubbard physics with cavity-mediated long-range interactions and self-organization in lower dimensions.

Electron density and gas density measurements in a millimeter-wave discharge

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

Schaub, S. C., E-mail: sschaub@mit.edu; Hummelt, J. S.; Guss, W. C.

2016-08-15

Electron density and neutral gas density have been measured in a non-equilibrium air breakdown plasma using optical emission spectroscopy and two-dimensional laser interferometry, respectively. A plasma was created with a focused high frequency microwave beam in air. Experiments were run with 110 GHz and 124.5 GHz microwaves at powers up to 1.2 MW. Microwave pulses were 3 μs long at 110 GHz and 2.2 μs long at 124.5 GHz. Electron density was measured over a pressure range of 25 to 700 Torr as the input microwave power was varied. Electron density was found to be close to the critical density, where the collisional plasma frequency is equal tomore » the microwave frequency, over the pressure range studied and to vary weakly with input power. Neutral gas density was measured over a pressure range from 150 to 750 Torr at power levels high above the threshold for initiating breakdown. The two-dimensional structure of the neutral gas density was resolved. Intense, localized heating was found to occur hundreds of nanoseconds after visible plasma formed. This heating led to neutral gas density reductions of greater than 80% where peak plasma densities occurred. Spatial structure and temporal dynamics of gas heating at atmospheric pressure were found to agree well with published numerical simulations.« less

A molecular dynamics computer simulation study of room-temperature ionic liquids. II. Equilibrium and nonequilibrium solvation dynamics.

PubMed

Shim, Y; Choi, M Y; Kim, Hyung J

2005-01-22

The molecular dynamics (MD) simulation study of solvation structure and free energetics in 1-ethyl-3-methylimidazolium chloride and 1-ethyl-3-methylimidazolium hexafluorophosphate using a probe solute in the preceding article [Y. Shim, M. Y. Choi and H. J. Kim, J. Chem. Phys. 122, 044510 (2005)] is extended to investigate dynamic properties of these liquids. Solvent fluctuation dynamics near equilibrium are studied via MD and associated time-dependent friction is analyzed via the generalized Langevin equation. Nonequilibrium solvent relaxation following an instantaneous change in the solute charge distribution and accompanying solvent structure reorganization are also investigated. Both equilibrium and nonequilibrium solvation dynamics are characterized by at least two vastly different time scales--a subpicosecond inertial regime followed by a slow diffusive regime. Solvent regions contributing to the subpicosecond nonequilibrium relaxation are found to vary significantly with initial solvation configurations, especially near the solute. If the solvent density near the solute is sufficiently high at the outset of the relaxation, subpicosecond dynamics are mainly governed by the motions of a few ions close to the solute. By contrast, in the case of a low local density, solvent ions located not only close to but also relatively far from the solute participate in the subpicosecond relaxation. Despite this difference, linear response holds reasonably well in both ionic liquids. (c) 2005 American Institute of Physics.

Density matrix renormalization group with efficient dynamical electron correlation through range separation

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

Hedegård, Erik Donovan, E-mail: erik.hedegard@phys.chem.ethz.ch; Knecht, Stefan; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

2015-06-14

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

A matrix-based approach to solving the inverse Frobenius-Perron problem using sequences of density functions of stochastically perturbed dynamical systems

NASA Astrophysics Data System (ADS)

Nie, Xiaokai; Coca, Daniel

2018-01-01

The paper introduces a matrix-based approach to estimate the unique one-dimensional discrete-time dynamical system that generated a given sequence of probability density functions whilst subjected to an additive stochastic perturbation with known density.

A matrix-based approach to solving the inverse Frobenius-Perron problem using sequences of density functions of stochastically perturbed dynamical systems.

PubMed

Nie, Xiaokai; Coca, Daniel

2018-01-01

The paper introduces a matrix-based approach to estimate the unique one-dimensional discrete-time dynamical system that generated a given sequence of probability density functions whilst subjected to an additive stochastic perturbation with known density.

Molecular Dynamics Simulation of the Three-Dimensional Ordered State in Laser-Cooled Heavy-Ion Beams

NASA Astrophysics Data System (ADS)

Yuri, Yosuke

A molecular dynamics simulation is performed to study the formation of three-dimensional ordered beams by laser cooling in a cooler storage ring. Ultralow-temperature heavy-ion beams are generated by transverse cooling with displaced Gaussian lasers and resonant coupling. A three-dimensional ordered state of the ion beam is attained at a high line density. The ordered beam exhibits several unique characteristics different from those of an ideal crystalline beam.

Quantitative breast MRI radiomics for cancer risk assessment and the monitoring of high-risk populations

NASA Astrophysics Data System (ADS)

Mendel, Kayla R.; Li, Hui; Giger, Maryellen L.

2016-03-01

Breast density is routinely assessed qualitatively in screening mammography. However, it is challenging to quantitatively determine a 3D density from a 2D image such as a mammogram. Furthermore, dynamic contrast enhanced magnetic resonance imaging (DCE-MRI) is used more frequently in the screening of high-risk populations. The purpose of our study is to segment parenchyma and to quantitatively determine volumetric breast density on pre-contrast axial DCE-MRI images (i.e., non-contrast) using a semi-automated quantitative approach. In this study, we retroactively examined 3D DCE-MRI images taken for breast cancer screening of a high-risk population. We analyzed 66 cases with ages between 28 and 76 (mean 48.8, standard deviation 10.8). DCE-MRIs were obtained on a Philips 3.0 T scanner. Our semi-automated DCE-MRI algorithm includes: (a) segmentation of breast tissue from non-breast tissue using fuzzy cmeans clustering (b) separation of dense and fatty tissues using Otsu's method, and (c) calculation of volumetric density as the ratio of dense voxels to total breast voxels. We examined the relationship between pre-contrast DCE-MRI density and clinical BI-RADS density obtained from radiology reports, and obtained a statistically significant correlation [Spearman ρ-value of 0.66 (p < 0.0001)]. Our method within precision medicine may be useful for monitoring high-risk populations.

High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sun, Xiao-Wei; Liu, Zi-Jiang; Quan, Wei-Long; Song, Ting; Khenata, Rabah; Bin-Omran, Saad

2018-05-01

Using the revised Perdew-Burke-Ernzerhof generalized gradient approximation based on first-principles plane-wave pseudopotential density functional theory, the high-pressure structural phase transition of LiF is explored. From the analysis of Gibbs free energies, we find that no phase transition occurs for LiF in the presented pressure range from 0 to 1000 GPa, and this result is consistent with the theoretical prediction obtained via ab initio calculations [N.A. Smirnov, Phys. Rev. B 83 (2011) 014109]. Using the classical molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction, the melting phase diagram of LiF is determined. The obtained normalized volumes under pressure are in good agreement with our density functional theory results and the available experimental data. Meanwhile, with the help of the quasi-harmonic Debye model in which the phononic effects are considered, the thermodynamic properties of interest, including the volume thermal expansion coefficient, isothermal bulk modulus and its first and second pressure derivatives, heat capacity at constant volume, entropy, Debye temperature, and Grüneisen parameter of LiF are predicted systematically. All the properties of LiF with the stable NaCl-type structure in the temperature range of 0-4900 K and the pressure up to 1000 GPa are summarized.

Bacterial population dynamics during uranium reduction andre-oxidation: Application of a novel high density oligonucleotidemicroarray approach

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

Brodie, Eoin L.; DeSantis, Todd Z.; Joyner, Dominique C.

2006-01-30

Reduction of soluble uranium U(VI) to less-soluble uraniumU(IV) is a promising approach to minimize migration from contaminatedaquifers. It is generally assumed that, under constant reducingconditions, U(IV) is stable and immobile; however, in a previous study,we documented reoxidation of U(IV) under continuous reducing conditions(Wan et al., Environ. Sci. Technol. 2005, 39:6162 6169). To determine ifchanges in microbial community composition were a factor in U(IV)reoxidation, we employed a high-density phylogenetic DNA microarray (16Smicroarray) containing 500,000 probes to monitor changes in bacterialpopulations during this remediation process. Comparison of the 16Smicroarray with clone libraries demonstrated successful detection andclassification of most clone groups. Analysis ofmore » the most dynamic groupsof 16S rRNA gene amplicons detected by the 16S microarray identified fiveclusters of bacterial subfamilies responding in a similar manner. Thisapproach demonstrated that amplicons of known metal-reducing bacteriasuch as Geothrix fermentans (confirmed by quantitative PCR) and thosewithin the Geobacteraceae were abundant during U(VI) reduction and didnot decline during the U(IV) reoxidation phase. Significantly, it appearsthat the observed reoxidation of uranium under reducing conditionsoccurred despite elevated microbial activity and the consistent presenceof metal-reducing bacteria. High-density phylogenetic microarraysconstitute a powerful tool, enabling the detection and monitoring of asubstantial portion of the microbial population in a routine, accurate,and reproducible manner.« less

The dynamics of fauna and population of birds in agricultural landscapes on the border of Kazan International Airport

NASA Astrophysics Data System (ADS)

Bespalov, A. F.; Belyaev, A. N.

2018-01-01

The dynamics of fauna and population of birds from agricultural lands near Kazan International Airport has been studied for one year. A total of 60 bird species have been registered, of which 26 species must be considered as highly dangerous to flying aircraft. With regard to seasonal activity, the nesting period (April - June) is the most hazardous, since it is characterized by maximum species richness and total population density of birds, as well as their high species diversity. Furthermore, a serious danger is posed by the period of postnesting nomadic movements and the onset of migrations (July - September) when the species diversity turns out to be the highest and the total population density begins to decrease. It has been recommended based on the obtained results that the current crops should be replaced by cultivars that will be less attractive to birds. In spring and autumn, certain bird hazing and frightening measures must be taken on a more regular basis.

High precision Hugoniot measurements on statically pre-compressed fluid helium

NASA Astrophysics Data System (ADS)

Seagle, Christopher T.; Reinhart, William D.; Lopez, Andrew J.; Hickman, Randy J.; Thornhill, Tom F.

2016-09-01

The capability for statically pre-compressing fluid targets for Hugoniot measurements utilizing gas gun driven flyer plates has been developed. Pre-compression expands the capability for initial condition control, allowing access to thermodynamic states off the principal Hugoniot. Absolute Hugoniot measurements with an uncertainty less than 3% on density and pressure were obtained on statically pre-compressed fluid helium utilizing a two stage light gas gun. Helium is highly compressible; the locus of shock states resulting from dynamic loading of an initially compressed sample at room temperature is significantly denser than the cryogenic fluid Hugoniot even for relatively modest (0.27-0.38 GPa) initial pressures. The dynamic response of pre-compressed helium in the initial density range of 0.21-0.25 g/cm3 at ambient temperature may be described by a linear shock velocity (us) and particle velocity (up) relationship: us = C0 + sup, with C0 = 1.44 ± 0.14 km/s and s = 1.344 ± 0.025.

Tidal tomography constrains Earth's deep-mantle buoyancy.

PubMed

Lau, Harriet C P; Mitrovica, Jerry X; Davis, James L; Tromp, Jeroen; Yang, Hsin-Ying; Al-Attar, David

2017-11-15

Earth's body tide-also known as the solid Earth tide, the displacement of the solid Earth's surface caused by gravitational forces from the Moon and the Sun-is sensitive to the density of the two Large Low Shear Velocity Provinces (LLSVPs) beneath Africa and the Pacific. These massive regions extend approximately 1,000 kilometres upward from the base of the mantle and their buoyancy remains actively debated within the geophysical community. Here we use tidal tomography to constrain Earth's deep-mantle buoyancy derived from Global Positioning System (GPS)-based measurements of semi-diurnal body tide deformation. Using a probabilistic approach, we show that across the bottom two-thirds of the two LLSVPs the mean density is about 0.5 per cent higher than the average mantle density across this depth range (that is, its mean buoyancy is minus 0.5 per cent), although this anomaly may be concentrated towards the very base of the mantle. We conclude that the buoyancy of these structures is dominated by the enrichment of high-density chemical components, probably related to subducted oceanic plates or primordial material associated with Earth's formation. Because the dynamics of the mantle is driven by density variations, our result has important dynamical implications for the stability of the LLSVPs and the long-term evolution of the Earth system.

Molecular Dynamics Simulations of Poly(ethylene oxide) Grafted onto Silica Immersed in Melt of Homopolymers.

PubMed

Benková, Zuzana; Cordeiro, M Natália D S

2015-09-22

Tuning of surface properties plays an important role in applications ranging from material engineering to biomedicine/chemistry. The interactions of chains grafted to a solid support and exposed to a matrix of chemically identical chains represent an intriguing issue. In this work, the behavior of poly(ethylene oxide) (PEO) chains grafted irreversibly onto an amorphous silica and immersed in the matrix of free PEO chains of different polymerization degree is studied using molecular dynamics simulations. The density distributions of grafted and free PEO chains, the height of the grafted layer, overlap parameters, and orientation order parameters depend not only on the grafting density but also on the length of free chains which confirm the entropic nature of the interactions between the grafted and free chains. In order to achieve a complete expulsion of the free chains from the grafted layer, a grafting density as high as 3.5 nm(-2) is necessary. Free PEO chains of 9 monomers leave the grafted layer at lower grafting densities than the longer PEO chains of 18 monomers in contrast with the theoretical predictions. The height of the grafted layer evolves with the grafting density in the presence of free chains in qualitative agreement with the theoretical phase diagram.

Dynamic Stall Measurements and Computations for a VR-12 Airfoil with a Variable Droop Leading Edge

NASA Technical Reports Server (NTRS)

Martin, P. B.; McAlister, K. W.; Chandrasekhara, M. S.; Geissler, W.

2003-01-01

High density-altitude operations of helicopters with advanced performance and maneuver capabilities have lead to fundamental research on active high-lift system concepts for rotor blades. The requirement for this type of system was to improve the sectional lift-to-drag ratio by alleviating dynamic stall on the retreating blade while simultaneously reducing the transonic drag rise of the advancing blade. Both measured and computational results showed that a Variable Droop Leading Edge (VDLE) airfoil is a viable concept for application to a rotor high-lift system. Results are presented for a series of 2D compressible dynamic stall wind tunnel tests with supporting CFD results for selected test cases. These measurements and computations show a dramatic decrease in the drag and pitching moment associated with severe dynamic stall when the VDLE concept is applied to the Boeing VR-12 airfoil. Test results also show an elimination of the negative pitch damping observed in the baseline moment hysteresis curves.

Microstructure and critical strain of dynamic recrystallization of 6082 aluminum alloy in thermal deformation

NASA Astrophysics Data System (ADS)

Ren, W. W.; Xu, C. G.; Chen, X. L.; Qin, S. X.

2018-05-01

Using high temperature compression experiments, true stress true strain curve of 6082 aluminium alloy were obtained at the temperature 460°C-560°C and the strain rate 0.01 s-1-10 s-1. The effects of deformation temperature and strain rate on the microstructure are investigated; (‑∂lnθ/∂ε) ‑ ε curves are plotted based on σ-ε curve. Critical strains of dynamic recrystallization of 6082 aluminium alloy model were obtained. The results showed lower strain rates were beneficial to increase the volume fraction of recrystallization, the average recrystallized grain size was coarse; High strain rates are beneficial to refine average grain size, the volume fraction of dynamic recrystallized grain is less than that by using low strain rates. High temperature reduced the dislocation density and provided less driving force for recrystallization so that coarse grains remained. Dynamic recrystallization critical strain model and thermal experiment results can effectively predict recrystallization critical point of 6082 aluminium alloy during thermal deformation.

Dynamics of Quasi-Electrostatic Whistler waves in Earth's Radiation belts

NASA Astrophysics Data System (ADS)

Goyal, R.; Sharma, R. P.; Gupta, D. N.

2017-12-01

A numerical model is proposed to study the dynamics of high amplitude quasi-electrostatic whistler waves propagating near resonance cone angle and their interaction with finite frequency kinetic Alfvén waves (KAWs) in Earth's radiation belts. The quasi-electrostatic character of whistlers is narrated by dynamics of wave propagating near resonance cone. A high amplitude whistler wave packet is obtained using the present analysis which has also been observed by S/WAVES instrument onboard STEREO. The numerical simulation technique employed to study the dynamics, leads to localization (channelling) of waves as well as turbulent spectrum suggesting the transfer of wave energy over a range of frequencies. The turbulent spectrum also indicates the presence of quasi-electrostatic whistlers and density fluctuations associated with KAW in radiation belts plasma. The ponderomotive force of pump quasi-electrostatic whistlers (high frequency) is used to excite relatively much lower frequency waves (KAWs). The wave localization and steeper spectra could be responsible for particle energization or heating in radiation belts.

High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

PubMed

Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

2016-07-21

In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

Giant energy density and high efficiency achieved in bismuth ferrite-based film capacitors via domain engineering.

PubMed

Pan, Hao; Ma, Jing; Ma, Ji; Zhang, Qinghua; Liu, Xiaozhi; Guan, Bo; Gu, Lin; Zhang, Xin; Zhang, Yu-Jun; Li, Liangliang; Shen, Yang; Lin, Yuan-Hua; Nan, Ce-Wen

2018-05-08

Developing high-performance film dielectrics for capacitive energy storage has been a great challenge for modern electrical devices. Despite good results obtained in lead titanate-based dielectrics, lead-free alternatives are strongly desirable due to environmental concerns. Here we demonstrate that giant energy densities of ~70 J cm -3 , together with high efficiency as well as excellent cycling and thermal stability, can be achieved in lead-free bismuth ferrite-strontium titanate solid-solution films through domain engineering. It is revealed that the incorporation of strontium titanate transforms the ferroelectric micro-domains of bismuth ferrite into highly-dynamic polar nano-regions, resulting in a ferroelectric to relaxor-ferroelectric transition with concurrently improved energy density and efficiency. Additionally, the introduction of strontium titanate greatly improves the electrical insulation and breakdown strength of the films by suppressing the formation of oxygen vacancies. This work opens up a feasible and propagable route, i.e., domain engineering, to systematically develop new lead-free dielectrics for energy storage.

Atomistic and molecular effects in electric double layers at high surface charges

DOE PAGES

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

Optical and electronic properties of sub-surface conducting layers in diamond created by MeV B-implantation at elevated temperatures

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

Willems van Beveren, L. H., E-mail: laurensw@unimelb.edu.au; Bowers, H.; Ganesan, K.

2016-06-14

Boron implantation with in-situ dynamic annealing is used to produce highly conductive sub-surface layers in type IIa (100) diamond plates for the search of a superconducting phase transition. Here, we demonstrate that high-fluence MeV ion-implantation, at elevated temperatures avoids graphitization and can be used to achieve doping densities of 6 at. %. In order to quantify the diamond crystal damage associated with implantation Raman spectroscopy was performed, demonstrating high temperature annealing recovers the lattice. Additionally, low-temperature electronic transport measurements show evidence of charge carrier densities close to the metal-insulator-transition. After electronic characterization, secondary ion mass spectrometry was performed to mapmore » out the ion profile of the implanted plates. The analysis shows close agreement with the simulated ion-profile assuming scaling factors that take into account an average change in diamond density due to device fabrication. Finally, the data show that boron diffusion is negligible during the high temperature annealing process.« less

SiO_{2} Glass Density to Lower-Mantle Pressures.

PubMed

Petitgirard, Sylvain; Malfait, Wim J; Journaux, Baptiste; Collings, Ines E; Jennings, Eleanor S; Blanchard, Ingrid; Kantor, Innokenty; Kurnosov, Alexander; Cotte, Marine; Dane, Thomas; Burghammer, Manfred; Rubie, David C

2017-11-24

The convection or settling of matter in the deep Earth's interior is mostly constrained by density variations between the different reservoirs. Knowledge of the density contrast between solid and molten silicates is thus of prime importance to understand and model the dynamic behavior of the past and present Earth. SiO_{2} is the main constituent of Earth's mantle and is the reference model system for the behavior of silicate melts at high pressure. Here, we apply our recently developed x-ray absorption technique to the density of SiO_{2} glass up to 110 GPa, doubling the pressure range for such measurements. Our density data validate recent molecular dynamics simulations and are in good agreement with previous experimental studies conducted at lower pressure. Silica glass rapidly densifies up to 40 GPa, but the density trend then flattens to become asymptotic to the density of SiO_{2} minerals above 60 GPa. The density data present two discontinuities at ∼17 and ∼60  GPa that can be related to a silicon coordination increase from 4 to a mixed 5/6 coordination and from 5/6 to sixfold, respectively. SiO_{2} glass becomes denser than MgSiO_{3} glass at ∼40  GPa, and its density becomes identical to that of MgSiO_{3} glass above 80 GPa. Our results on SiO_{2} glass may suggest that a variation of SiO_{2} content in a basaltic or pyrolitic melt with pressure has at most a minor effect on the final melt density, and iron partitioning between the melts and residual solids is the predominant factor that controls melt buoyancy in the lowermost mantle.

SiO2 Glass Density to Lower-Mantle Pressures

NASA Astrophysics Data System (ADS)

Petitgirard, Sylvain; Malfait, Wim J.; Journaux, Baptiste; Collings, Ines E.; Jennings, Eleanor S.; Blanchard, Ingrid; Kantor, Innokenty; Kurnosov, Alexander; Cotte, Marine; Dane, Thomas; Burghammer, Manfred; Rubie, David C.

2017-11-01

The convection or settling of matter in the deep Earth's interior is mostly constrained by density variations between the different reservoirs. Knowledge of the density contrast between solid and molten silicates is thus of prime importance to understand and model the dynamic behavior of the past and present Earth. SiO2 is the main constituent of Earth's mantle and is the reference model system for the behavior of silicate melts at high pressure. Here, we apply our recently developed x-ray absorption technique to the density of SiO2 glass up to 110 GPa, doubling the pressure range for such measurements. Our density data validate recent molecular dynamics simulations and are in good agreement with previous experimental studies conducted at lower pressure. Silica glass rapidly densifies up to 40 GPa, but the density trend then flattens to become asymptotic to the density of SiO2 minerals above 60 GPa. The density data present two discontinuities at ˜17 and ˜60 GPa that can be related to a silicon coordination increase from 4 to a mixed 5 /6 coordination and from 5 /6 to sixfold, respectively. SiO2 glass becomes denser than MgSiO3 glass at ˜40 GPa , and its density becomes identical to that of MgSiO3 glass above 80 GPa. Our results on SiO2 glass may suggest that a variation of SiO2 content in a basaltic or pyrolitic melt with pressure has at most a minor effect on the final melt density, and iron partitioning between the melts and residual solids is the predominant factor that controls melt buoyancy in the lowermost mantle.

SPORT: A new sub-nanosecond time-resolved instrument to study swift heavy ion-beam induced luminescence - Application to luminescence degradation of a fast plastic scintillator

NASA Astrophysics Data System (ADS)

Gardés, E.; Balanzat, E.; Ban-d'Etat, B.; Cassimi, A.; Durantel, F.; Grygiel, C.; Madi, T.; Monnet, I.; Ramillon, J.-M.; Ropars, F.; Lebius, H.

2013-02-01

We developed a new sub-nanosecond time-resolved instrument to study the dynamics of UV-visible luminescence under high stopping power heavy ion irradiation. We applied our instrument, called SPORT, on a fast plastic scintillator (BC-400) irradiated with 27-MeV Ar ions having high mean electronic stopping power of 2.6 MeV/μm. As a consequence of increasing permanent radiation damages with increasing ion fluence, our investigations reveal a degradation of scintillation intensity together with, thanks to the time-resolved measurement, a decrease in the decay constant of the scintillator. This combination indicates that luminescence degradation processes by both dynamic and static quenching, the latter mechanism being predominant. Under such high density excitation, the scintillation deterioration of BC-400 is significantly enhanced compared to that observed in previous investigations, mainly performed using light ions. The observed non-linear behaviour implies that the dose at which luminescence starts deteriorating is not independent on particles' stopping power, thus illustrating that the radiation hardness of plastic scintillators can be strongly weakened under high excitation density in heavy ion environments.

Ion density evolution in a high-power sputtering discharge with bipolar pulsing

NASA Astrophysics Data System (ADS)

Britun, N.; Michiels, M.; Godfroid, T.; Snyders, R.

2018-06-01

Time evolution of sputtered metal ions in high power impulse magnetron sputtering (HiPIMS) discharge with a positive voltage pulse applied after a negative one (regime called "bipolar pulse HiPIMS"—BPH) is studied using 2-D density mapping. It is demonstrated that the ion propagation dynamics is mainly affected by the amplitude and duration of the positive pulse. Such effects as ion repulsion from the cathode and the ionization zone shrinkage due to electron drift towards the cathode are clearly observed during the positive pulse. The BPH mode also alters the film crystallographic structure, as observed from X-ray diffraction analysis.

Redshifts of groups and clusters in the rich superclusters 1451+22 and 1615+43

NASA Technical Reports Server (NTRS)

Ciardullo, R.; Ford, H.; Bartko, F.; Harms, R.

1983-01-01

Redshift measurements and finding charts are presented for galaxy clusters in the field of two rich, distant superclusters. Both systems are shown to have morphological and dynamical properties similar to the nearby superclusters, including small internal velocity dispersions and high density contrasts in redshift space. This data is consistent with two interpretations: either both superclusters are highly flattened systems with major axes close to the plane of the sky, or the observed velocity dispersions do not arise from unperturbed Hubble flow. If the latter explanation is correct, these radial velocity data are a powerful probe of the large scale matter density in the universe.

Fast and precise processing of material by means of an intensive electron beam

NASA Astrophysics Data System (ADS)

Beisswenger, S.

1984-07-01

For engraving a picture carrying screen of cells into the copper-surface of gravure cylinders, an electron beam system was developed. Numerical computations of the power density in the image planes of the electron beam determined the design of the electron optical assembly. A highly stable electron beam of high power density is generated by a ribbon-like cathode. A system of magnetic lenses is used for fast control of the engraving processes and for dynamic changing of the electron optical demagnification. The electron beam engraving system is capable of engraving up to 150,000 gravure cells per sec.

AC Application of HTS Conductors in Highly Dynamic Electric Motors

NASA Astrophysics Data System (ADS)

Oswald, B.; Best, K.-J.; Setzer, M.; Duffner, E.; Soell, M.; Gawalek, W.; Kovalev, L. K.

2006-06-01

Based on recent investigations we design highly dynamic electric motors up to 400 kW and linear motors up to 120 kN linear force using HTS bulk material and HTS tapes. The introduction of HTS tapes into AC applications in electric motors needs fundamental studies on double pancake coils under transversal magnetic fields. First theoretical and experimental results on AC field distributions in double-pancake-coils and corresponding AC losses will be presented. Based on these results the simulation of the motor performance confirms extremely high power density and efficiency of both types of electric motors. Improved characteristics of rare earth permanent magnets used in our motors at low temperatures give an additional technological benefit.

Dual effects of pedestrian density on emergency evacuation

NASA Astrophysics Data System (ADS)

Ma, Yi; Lee, Eric Wai Ming; Yuen, Richard Kwok Kit

2017-02-01

This paper investigates the effect of the pedestrian density in building on the evacuation dynamic with simulation method. In the simulations, both the visibility in building and the exit limit of building are taken into account. The simulation results show that the effect of the pedestrian density in building on the evacuation dynamics is dual. On the one hand, when the visibility in building is very large, the increased pedestrian density plays a negative effect. On the other hand, when the visibility in building is very small, the increased pedestrian density can play a positive effect. The simulation results also show that when both the exit width and visibility are very small, the varying of evacuation time with regard to the pedestrian density is non-monotonous and presents a U-shaped tendency. That is, in this case, too large or too small pedestrian density in building is disadvantageous to the evacuation process. Our findings provide a new insight about the effect of the pedestrian density in building on the evacuation dynamic.

Dampening prey cycle overrides the impact of climate change on predator population dynamics: a long-term demographic study on tawny owls.

PubMed

Millon, Alexandre; Petty, Steve J; Little, Brian; Gimenez, Olivier; Cornulier, Thomas; Lambin, Xavier

2014-06-01

Predicting the dynamics of animal populations with different life histories requires careful understanding of demographic responses to multifaceted aspects of global changes, such as climate and trophic interactions. Continent-scale dampening of vole population cycles, keystone herbivores in many ecosystems, has been recently documented across Europe. However, its impact on guilds of vole-eating predators remains unknown. To quantify this impact, we used a 27-year study of an avian predator (tawny owl) and its main prey (field vole) collected in Kielder Forest (UK) where vole dynamics shifted from a high- to a low-amplitude fluctuation regime in the mid-1990s. We measured the functional responses of four demographic rates to changes in prey dynamics and winter climate, characterized by wintertime North Atlantic Oscillation (wNAO). First-year and adult survival were positively affected by vole density in autumn but relatively insensitive to wNAO. The probability of breeding and number of fledglings were higher in years with high spring vole densities and negative wNAO (i.e. colder and drier winters). These functional responses were incorporated into a stochastic population model. The size of the predator population was projected under scenarios combining prey dynamics and winter climate to test whether climate buffers or alternatively magnifies the impact of changes in prey dynamics. We found the observed dampening vole cycles, characterized by low spring densities, drastically reduced the breeding probability of predators. Our results illustrate that (i) change in trophic interactions can override direct climate change effect; and (ii) the demographic resilience entailed by longevity and the occurrence of a floater stage may be insufficient to buffer hypothesized environmental changes. Ultimately, dampened prey cycles would drive our owl local population towards extinction, with winter climate regimes only altering persistence time. These results suggest that other vole-eating predators are likely to be threatened by dampening vole cycles throughout Europe. © 2014 The Authors. Global Change Biology Published by John Wiley & Sons Ltd.

Consequences of the dynamic triple peak impact factor in Traumatic Brain Injury as Measured with Numerical Simulation.

PubMed

von Holst, Hans; Li, Xiaogai

2013-01-01

There is a lack of knowledge about the direct neuromechanical consequences in traumatic brain injury (TBI) at the scene of accident. In this study we use a finite element model of the human head to study the dynamic response of the brain during the first milliseconds after the impact with velocities of 10, 6, and 2 meters/second (m/s), respectively. The numerical simulation was focused on the external kinetic energy transfer, intracranial pressure (ICP), strain energy density and first principal strain level, and their respective impacts to the brain tissue. We show that the oblique impacts of 10 and 6 m/s resulted in substantial high peaks for the ICP, strain energy density, and first principal strain levels, however, with different patterns and time frames. Also, the 2 m/s impact showed almost no increase in the above mentioned investigated parameters. More importantly, we show that there clearly exists a dynamic triple peak impact factor to the brain tissue immediately after the impact regardless of injury severity associated with different impact velocities. The dynamic triple peak impacts occurred in a sequential manner first showing strain energy density and ICP and then followed by first principal strain. This should open up a new dimension to better understand the complex mechanisms underlying TBI. Thus, it is suggested that the combination of the dynamic triple peak impacts to the brain tissue may interfere with the cerebral metabolism relative to the impact severity thereby having the potential to differentiate between severe and moderate TBI from mild TBI.

Effect of water phase transition on dynamic ruptures with thermal pressurization: Numerical simulations with changes in physical properties of water

NASA Astrophysics Data System (ADS)

Urata, Yumi; Kuge, Keiko; Kase, Yuko

2015-02-01

Phase transitions of pore water have never been considered in dynamic rupture simulations with thermal pressurization (TP), although they may control TP. From numerical simulations of dynamic rupture propagation including TP, in the absence of any water phase transition process, we predict that frictional heating and TP are likely to change liquid pore water into supercritical water for a strike-slip fault under depth-dependent stress. This phase transition causes changes of a few orders of magnitude in viscosity, compressibility, and thermal expansion among physical properties of water, thus affecting the diffusion of pore pressure. Accordingly, we perform numerical simulations of dynamic ruptures with TP, considering physical properties that vary with the pressure and temperature of pore water on a fault. To observe the effects of the phase transition, we assume uniform initial stress and no fault-normal variations in fluid density and viscosity. The results suggest that the varying physical properties decrease the total slip in cases with high stress at depth and small shear zone thickness. When fault-normal variations in fluid density and viscosity are included in the diffusion equation, they activate TP much earlier than the phase transition. As a consequence, the total slip becomes greater than that in the case with constant physical properties, eradicating the phase transition effect. Varying physical properties do not affect the rupture velocity, irrespective of the fault-normal variations. Thus, the phase transition of pore water has little effect on dynamic ruptures. Fault-normal variations in fluid density and viscosity may play a more significant role.

Dynamical properties and transport coefficients of one-dimensional Lennard-Jones fluids: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Bazhenov, Alexiev M.; Heyes, David M.

1990-01-01

The thermodynamics, structure, and transport coefficients, as defined by the Green-Kubo integrals, of the one-dimensional Lennard-Jones fluid are evaluated for a wide range of state points by molecular dynamics computer simulation. These calculations are performed for the first time for thermal conductivity and the viscosity. We observe a transition from hard-rod behavior at low number density to harmonic-spring fluid behavior in the close-packed limit. The self-diffusion coefficient decays with increasing density to a finite limiting value. The thermal conductivity increases with density, tending to ∞ in the close-packed limit. The viscosity in contrast maximizes at intermediate density, tending to zero in the zero density and close-packed limits.

Impact of the Hall effect on high-energy-density plasma jets.

PubMed

Gourdain, P-A; Seyler, C E

2013-01-04

Using a 1-MA, 100 ns-rise-time pulsed power generator, radial foil configurations can produce strongly collimated plasma jets. The resulting jets have electron densities on the order of 10(20) cm(-3), temperatures above 50 eV and plasma velocities on the order of 100 km/s, giving Reynolds numbers of the order of 10(3), magnetic Reynolds and Péclet numbers on the order of 1. While Hall physics does not dominate jet dynamics due to the large particle density and flow inside, it strongly impacts flows in the jet periphery where plasma density is low. As a result, Hall physics affects indirectly the geometrical shape of the jet and its density profile. The comparison between experiments and numerical simulations demonstrates that the Hall term enhances the jet density when the plasma current flows away from the jet compared to the case where the plasma current flows towards it.

Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.

PubMed

Nishizawa, Hiroaki; Nishimura, Yoshifumi; Kobayashi, Masato; Irle, Stephan; Nakai, Hiromi

2016-08-05

The linear-scaling divide-and-conquer (DC) quantum chemical methodology is applied to the density-functional tight-binding (DFTB) theory to develop a massively parallel program that achieves on-the-fly molecular reaction dynamics simulations of huge systems from scratch. The functions to perform large scale geometry optimization and molecular dynamics with DC-DFTB potential energy surface are implemented to the program called DC-DFTB-K. A novel interpolation-based algorithm is developed for parallelizing the determination of the Fermi level in the DC method. The performance of the DC-DFTB-K program is assessed using a laboratory computer and the K computer. Numerical tests show the high efficiency of the DC-DFTB-K program, a single-point energy gradient calculation of a one-million-atom system is completed within 60 s using 7290 nodes of the K computer. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Dynamics of oscillating relativistic tori around Kerr black holes

NASA Astrophysics Data System (ADS)

Zanotti, Olindo; Font, José A.; Rezzolla, Luciano; Montero, Pedro J.

2005-02-01

We present a comprehensive numerical study of the dynamics of relativistic axisymmetric accretion tori with a power-law distribution of specific angular momentum orbiting in the background space-time of a Kerr black hole. By combining general relativistic hydrodynamics simulations with a linear perturbative approach we investigate the main dynamical properties of these objects over a large parameter space. The astrophysical implications of our results extend and improve two interesting results that have been recently reported in the literature. First, the induced quasi-periodic variation of the mass quadrupole moment makes relativistic tori of nuclear matter densities, as those formed during the last stages of binary neutron star mergers, promising sources of gravitational radiation, potentially detectable by interferometric instruments. Secondly, p-mode oscillations in relativistic tori of low rest-mass densities could be used to explain high-frequency quasi-periodic oscillations observed in X-ray binaries containing a black hole candidate under conditions more generic than those considered so far.

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

PubMed

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

Measuring the dynamic structure factor of a quantum gas undergoing a structural phase transition

PubMed Central

Landig, Renate; Brennecke, Ferdinand; Mottl, Rafael; Donner, Tobias; Esslinger, Tilman

2015-01-01

The dynamic structure factor is a central quantity describing the physics of quantum many-body systems, capturing structure and collective excitations of a material. In condensed matter, it can be measured via inelastic neutron scattering, which is an energy-resolving probe for the density fluctuations. In ultracold atoms, a similar approach could so far not be applied because of the diluteness of the system. Here we report on a direct, real-time and nondestructive measurement of the dynamic structure factor of a quantum gas exhibiting cavity-mediated long-range interactions. The technique relies on inelastic scattering of photons, stimulated by the enhanced vacuum field inside a high finesse optical cavity. We extract the density fluctuations, their energy and lifetime while the system undergoes a structural phase transition. We observe an occupation of the relevant quasi-particle mode on the level of a few excitations, and provide a theoretical description of this dissipative quantum many-body system. PMID:25944151

Discharge dynamics and plasma density recovery by on/off switches of additional gas

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

Lee, Hyo-Chang, E-mail: lhc@kriss.re.kr; Department of Electrical Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763; Kwon, Deuk-Chul

2016-06-15

Measurement of the plasma density is investigated to study plasma dynamics by adding reactive gas (O{sub 2}) or rare gas (He) in Ar plasmas. When the O{sub 2} or He gas is added, plasma density is suddenly decreased, while the plasma density recovers slowly with gas off. It is found that the recovery time is strongly dependent on the gas flow rate, and it can be explained by effect of gas residence time. When the He gas is off in the Ar plasma, the plasma density is overshot compared to the case of the O{sub 2} gas pulsing due tomore » enhanced ionizations by metastable atoms. Analysis and calculation for correlation between the plasma density dynamics and the gas pulsing are also presented in detail.« less

Spectral densities for Frenkel exciton dynamics in molecular crystals: A TD-DFTB approach

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Megow, Jörg; Niehaus, Thomas; Kühn, Oliver

2017-02-01

Effects of thermal fluctuations on the electronic excitation energies and intermonomeric Coulomb couplings are investigated for a perylene-tetracarboxylic-diimide crystal. To this end, time dependent density functional theory based tight binding (TD-DFTB) in the linear response formulation is used in combination with electronic ground state classical molecular dynamics. As a result, a parametrized Frenkel exciton Hamiltonian is obtained, with the effect of exciton-vibrational coupling being described by spectral densities. Employing dynamically defined normal modes, these spectral densities are analyzed in great detail, thus providing insight into the effect of specific intramolecular motions on excitation energies and Coulomb couplings. This distinguishes the present method from approaches using fixed transition densities. The efficiency by which intramolecular contributions to the spectral density can be calculated is a clear advantage of this method as compared with standard TD-DFT.

Time-Domain Ab Initio Analysis of Excitation Dynamics in a Quantum Dot/Polymer Hybrid: Atomistic Description Rationalizes Experiment.

PubMed

Long, Run; Prezhdo, Oleg V

2015-07-08

Hybrid organic/inorganic polymer/quantum dot (QD) solar cells are an attractive alternative to the traditional cells. The original, simple models postulate that one-dimensional polymers have continuous energy levels, while zero-dimensional QDs exhibit atom-like electronic structure. A realistic, atomistic viewpoint provides an alternative description. Electronic states in polymers are molecule-like: finite in size and discrete in energy. QDs are composed of many atoms and have high, bulk-like densities of states. We employ ab initio time-domain simulation to model the experimentally observed ultrafast photoinduced dynamics in a QD/polymer hybrid and show that an atomistic description is essential for understanding the time-resolved experimental data. Both electron and hole transfers across the interface exhibit subpicosecond time scales. The interfacial processes are fast due to strong electronic donor-acceptor, as evidenced by the densities of the photoexcited states which are delocalized between the donor and the acceptor. The nonadiabatic charge-phonon coupling is also strong, especially in the polymer, resulting in rapid energy losses. The electron transfer from the polymer is notably faster than the hole transfer from the QD, due to a significantly higher density of acceptor states. The stronger molecule-like electronic and charge-phonon coupling in the polymer rationalizes why the electron-hole recombination inside the polymer is several orders of magnitude faster than in the QD. As a result, experiments exhibit multiple transfer times for the long-lived hole inside the QD, ranging from subpicoseconds to nanoseconds. In contrast, transfer of the short-lived electron inside the polymer does not occur beyond the first picosecond. The energy lost by the hole on its transit into the polymer is accommodated by polymer's high-frequency vibrations. The energy lost by the electron injected into the QD is accommodated primarily by much lower-frequency collective and QD modes. The electron dynamics is exponential, whereas evolution of the injected hole through the low density manifold of states of the polymer is highly nonexponential. The time scale of the electron-hole recombination at the interface is intermediate between those in pristine polymer and QD and is closer to that in the polymer. The detailed atomistic insights into the photoinduced charge and energy dynamics at the polymer/QD interface provide valuable guidelines for optimization of solar light harvesting and photovoltaic efficiency in modern nanoscale materials.

Multiple Point Dynamic Gas Density Measurements Using Molecular Rayleigh Scattering

NASA Technical Reports Server (NTRS)

Seasholtz, Richard; Panda, Jayanta

1999-01-01

A nonintrusive technique for measuring dynamic gas density properties is described. Molecular Rayleigh scattering is used to measure the time-history of gas density simultaneously at eight spatial locations at a 50 kHz sampling rate. The data are analyzed using the Welch method of modified periodograms to reduce measurement uncertainty. Cross-correlations, power spectral density functions, cross-spectral density functions, and coherence functions may be obtained from the data. The technique is demonstrated using low speed co-flowing jets with a heated inner jet.

A transmission-grating-modulated pump-probe absorption spectroscopy and demonstration of diffusion dynamics of photoexcited carriers in bulk intrinsic GaAs film.

PubMed

Chen, Ke; Wang, Wenfang; Chen, Jianming; Wen, Jinhui; Lai, Tianshu

2012-02-13

A transmission-grating-modulated time-resolved pump-probe absorption spectroscopy is developed and formularized. The spectroscopy combines normal time-resolved pump-probe absorption spectroscopy with a binary transmission grating, is sensitive to the spatiotemporal evolution of photoinjected carriers, and has extensive applicability in the study of diffusion transport dynamics of photoinjected carriers. This spectroscopy has many advantages over reported optical methods to measure diffusion dynamics, such as simple experimental setup and operation, and high detection sensitivity. The measurement of diffusion dynamics is demonstrated on bulk intrinsic GaAs films. A carrier density dependence of carrier diffusion coefficient is obtained and agrees well with reported results.

Investigation and suppression of high dynamic response encountered on an elastic supercritical wing

NASA Technical Reports Server (NTRS)

Seidel, David A.; Adams, William M., Jr.; Eckstrom, Clinton V.; Sandford, Maynard C.

1989-01-01

The DAST Aeroelastic Research Wing had been previously in the NASA Langley TDT and an unusual instability boundary was predicted based upon supercritical response data. Contrary to the predictions, no instability was found during the present test. Instead a region of high dynamic wing response was observed which reached a maximum value between Mach numbers 0.92 and 0.93. The amplitude of the dynamic response increased directly with dynamic pressure. The reponse appears to be related to chordwise shock movement in conjunction with flow separation and reattachment on the upper and lower wing surfaces. The onset of flow separation coincided with the occurrence of strong shocks on a surface. A controller was designed to suppress the wing response. The control law attenuated the response as compared with the uncontrolled case and added a small but significant amount of damping for the lower density condition.

Critical behavior of subcellular density organization during neutrophil activation and migration.

PubMed

Baker-Groberg, Sandra M; Phillips, Kevin G; Healy, Laura D; Itakura, Asako; Porter, Juliana E; Newton, Paul K; Nan, Xiaolin; McCarty, Owen J T

2015-12-01

Physical theories of active matter continue to provide a quantitative understanding of dynamic cellular phenomena, including cell locomotion. Although various investigations of the rheology of cells have identified important viscoelastic and traction force parameters for use in these theoretical approaches, a key variable has remained elusive both in theoretical and experimental approaches: the spatiotemporal behavior of the subcellular density. The evolution of the subcellular density has been qualitatively observed for decades as it provides the source of image contrast in label-free imaging modalities (e.g., differential interference contrast, phase contrast) used to investigate cellular specimens. While these modalities directly visualize cell structure, they do not provide quantitative access to the structures being visualized. We present an established quantitative imaging approach, non-interferometric quantitative phase microscopy, to elucidate the subcellular density dynamics in neutrophils undergoing chemokinesis following uniform bacterial peptide stimulation. Through this approach, we identify a power law dependence of the neutrophil mean density on time with a critical point, suggesting a critical density is required for motility on 2D substrates. Next we elucidate a continuum law relating mean cell density, area, and total mass that is conserved during neutrophil polarization and migration. Together, our approach and quantitative findings will enable investigators to define the physics coupling cytoskeletal dynamics with subcellular density dynamics during cell migration.

Critical behavior of subcellular density organization during neutrophil activation and migration

PubMed Central

Baker-Groberg, Sandra M.; Phillips, Kevin G.; Healy, Laura D.; Itakura, Asako; Porter, Juliana E.; Newton, Paul K.; Nan, Xiaolin; McCarty, Owen J.T.

2015-01-01

Physical theories of active matter continue to provide a quantitative understanding of dynamic cellular phenomena, including cell locomotion. Although various investigations of the rheology of cells have identified important viscoelastic and traction force parameters for use in these theoretical approaches, a key variable has remained elusive both in theoretical and experimental approaches: the spatiotemporal behavior of the subcellular density. The evolution of the subcellular density has been qualitatively observed for decades as it provides the source of image contrast in label-free imaging modalities (e.g., differential interference contrast, phase contrast) used to investigate cellular specimens. While these modalities directly visualize cell structure, they do not provide quantitative access to the structures being visualized. We present an established quantitative imaging approach, non-interferometric quantitative phase microscopy, to elucidate the subcellular density dynamics in neutrophils undergoing chemokinesis following uniform bacterial peptide stimulation. Through this approach, we identify a power law dependence of the neutrophil mean density on time with a critical point, suggesting a critical density is required for motility on 2D substrates. Next we elucidate a continuum law relating mean cell density, area, and total mass that is conserved during neutrophil polarization and migration. Together, our approach and quantitative findings will enable investigators to define the physics coupling cytoskeletal dynamics with subcellular density dynamics during cell migration. PMID:26640599

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

Albertazzi, Bruno; Ozaki, Norimasa; Zhakhovsky, Vasily

The understanding of fracture phenomena of a material at extremely high strain rates is a key issue for a wide variety of scientific research ranging from applied science and technological developments to fundamental science such as laser-matter interaction and geology. Despite its interest, its study relies on a fine multiscale description, in between the atomic scale and macroscopic processes, so far only achievable by large-scale atomic simulations. Direct ultrafast real-time monitoring of dynamic fracture (spallation) at the atomic lattice scale with picosecond time resolution was beyond the reach of experimental techniques. We show that the coupling between a high-power opticalmore » laser pump pulse and a femtosecond x-ray probe pulse generated by an x-ray free electron laser allows detection of the lattice dynamics in a tantalum foil at an ultrahigh strain rate of Embedded Image ~2 × 10 8 to 3.5 × 10 8 s -1. A maximal density drop of 8 to 10%, associated with the onset of spallation at a spall strength of ~17 GPa, was directly measured using x-ray diffraction. The experimental results of density evolution agree well with large-scale atomistic simulations of shock wave propagation and fracture of the sample. Our experimental technique opens a new pathway to the investigation of ultrahigh strain-rate phenomena in materials at the atomic scale, including high-speed crack dynamics and stress-induced solid-solid phase transitions.« less

Attractor Dynamics and Semantic Neighborhood Density: Processing Is Slowed by Near Neighbors and Speeded by Distant Neighbors

ERIC Educational Resources Information Center

Mirman, Daniel; Magnuson, James S.

2008-01-01

The authors investigated semantic neighborhood density effects on visual word processing to examine the dynamics of activation and competition among semantic representations. Experiment 1 validated feature-based semantic representations as a basis for computing semantic neighborhood density and suggested that near and distant neighbors have…

Dynamics and density distributions in a capillary-discharge waveguide with an embedded supersonic jet

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

Matlis, N. H., E-mail: nmatlis@gmail.com; Gonsalves, A. J.; Steinke, S.

We present an analysis of the gas dynamics and density distributions within a capillary-discharge waveguide with an embedded supersonic jet. This device provides a target for a laser plasma accelerator which uses longitudinal structuring of the gas-density profile to enable control of electron trapping and acceleration. The functionality of the device depends sensitively on the details of the density profile, which are determined by the interaction between the pulsed gas in the jet and the continuously-flowing gas in the capillary. These dynamics are captured by spatially resolving recombination light from several emission lines of the plasma as a function ofmore » the delay between the jet and the discharge. We provide a phenomenological description of the gas dynamics as well as a quantitative evaluation of the density evolution. In particular, we show that the pressure difference between the jet and the capillary defines three regimes of operation with qualitatively different longitudinal density profiles and show that jet timing provides a sensitive method for tuning between these regimes.« less

Dynamic acoustic field activated cell separation (DAFACS).

PubMed

Skotis, G D; Cumming, D R S; Roberts, J N; Riehle, M O; Bernassau, A L

2015-02-07

Advances in diagnostics, cell and stem cell technologies drive the development of application-specific tools for cell and particle separation. Acoustic micro-particle separation offers a promising avenue for high-throughput, label-free, high recovery, cell and particle separation and isolation in regenerative medicine. Here, we demonstrate a novel approach utilizing a dynamic acoustic field that is capable of separating an arbitrary size range of cells. We first demonstrate the method for the separation of particles with different diameters between 6 and 45 μm and secondly particles of different densities in a heterogeneous medium. The dynamic acoustic field is then used to separate dorsal root ganglion cells. The shearless, label-free and low damage characteristics make this method of manipulation particularly suited for biological applications. Advantages of using a dynamic acoustic field for the separation of cells include its inherent safety and biocompatibility, the possibility to operate over large distances (centimetres), high purity (ratio of particle population, up to 100%), and high efficiency (ratio of separated particles over total number of particles to separate, up to 100%).

Applications of Density Functional Theory in Soft Condensed Matter

NASA Astrophysics Data System (ADS)

Löwen, Hartmut

Applications of classical density functional theory (DFT) to soft matter systems like colloids, liquid crystals and polymer solutions are discussed with a focus on the freezing transition and on nonequilibrium Brownian dynamics. First, after a brief reminder of equilibrium density functional theory, DFT is applied to the freezing transition of liquids into crystalline lattices. In particular, spherical particles with radially symmetric pair potentials will be treated (like hard spheres, the classical one-component plasma or Gaussian-core particles). Second, the DFT will be generalized towards Brownian dynamics in order to tackle nonequilibrium problems. After a general introduction to Brownian dynamics using the complementary Smoluchowski and Langevin pictures appropriate for the dynamics of colloidal suspensions, the dynamical density functional theory (DDFT) will be derived from the Smoluchowski equation. This will be done first for spherical particles (e.g. hard spheres or Gaussian-cores) without hydrodynamic interactions. Then we show how to incorporate hydrodynamic interactions between the colloidal particles into the DDFT framework and compare to Brownian dynamics computer simulations. Third orientational degrees of freedom (rod-like particles) will be considered as well. In the latter case, the stability of intermediate liquid crystalline phases (isotropic, nematic, smectic-A, plastic crystals etc) can be predicted. Finally, the corresponding dynamical extension of density functional theory towards orientational degrees of freedom is proposed and the collective behaviour of "active" (self-propelled) Brownian particles is briefly discussed.

Effects of the bond polarity on the structural and dynamical properties of silica-like liquids

NASA Astrophysics Data System (ADS)

Pafong Sanjon, E.; Drossel, B.; Vogel, M.

2018-03-01

Silica is a network-forming liquid that shares many properties with water due to its tetrahedral structure. It undergoes a transition from a fragile to a strong liquid as the temperature is decreased, which is accompanied by a structural change to lower density and higher tetrahedral order. In order to disentangle the effects of Coulomb and van der Waals interactions on the structure and dynamics of liquid silica, we modify the bond polarity by changing the partial charges assigned to each atom. Using molecular dynamics simulations, we show that density, tetrahedral order, and structural relaxation times decrease when reducing bond polarity. Moreover, we find that the density maximum and the fragile-to-strong transition move to lower temperatures until they eventually vanish when the partial charges are decreased below approximately 75% of their regular value. Irrespective of whether strong or fragile behavior exists, structural relaxation is governed by hopping motion at sufficiently low temperatures. As long as there is a strong regime, the energy barrier associated with strong dynamics decreases with decreasing partial charges, but the dependence on the bond polarity differs from that of the activation energy in the Arrhenius regime at high temperatures. We show that the fragile-to-strong transition is associated with structural changes occurring between the first and second coordination shells that lead to a decrease in density and an increase in tetrahedral order. In particular, independent of the value of the partial charges, the distribution of the local structures is the same at this dynamic crossover, but we find no evidence that the effect occurs upon crossing the Widom line. In the fragile regime at intermediate temperatures, the relaxation times are well described by a previously proposed model which decomposes the apparent activation energy into a constant single-particle contribution and a temperature-dependent collective contribution. However, our results for silica-like melts do not obey several common relations of the model parameters reported for molecular glass formers.

Effects of the distant population density on spatial patterns of demographic dynamics

NASA Astrophysics Data System (ADS)

Tamura, Kohei; Masuda, Naoki

2017-08-01

Spatio-temporal patterns of population changes within and across countries have various implications. Different geographical, demographic and econo-societal factors seem to contribute to migratory decisions made by individual inhabitants. Focusing on internal (i.e. domestic) migration, we ask whether individuals may take into account the information on the population density in distant locations to make migratory decisions. We analyse population census data in Japan recorded with a high spatial resolution (i.e. cells of size 500×500 m) for the entirety of the country, and simulate demographic dynamics induced by the gravity model and its variants. We show that, in the census data, the population growth rate in a cell is positively correlated with the population density in nearby cells up to a distance of 20 km as well as that of the focal cell. The ordinary gravity model does not capture this empirical observation. We then show that the empirical observation is better accounted for by extensions of the gravity model such that individuals are assumed to perceive the attractiveness, approximated by the population density, of the source or destination cell of migration as the spatial average over a circle of radius ≈1 km.

Effects of the distant population density on spatial patterns of demographic dynamics.

PubMed

Tamura, Kohei; Masuda, Naoki

2017-08-01

Spatio-temporal patterns of population changes within and across countries have various implications. Different geographical, demographic and econo-societal factors seem to contribute to migratory decisions made by individual inhabitants. Focusing on internal (i.e. domestic) migration, we ask whether individuals may take into account the information on the population density in distant locations to make migratory decisions. We analyse population census data in Japan recorded with a high spatial resolution (i.e. cells of size 500×500  m ) for the entirety of the country, and simulate demographic dynamics induced by the gravity model and its variants. We show that, in the census data, the population growth rate in a cell is positively correlated with the population density in nearby cells up to a distance of 20 km as well as that of the focal cell. The ordinary gravity model does not capture this empirical observation. We then show that the empirical observation is better accounted for by extensions of the gravity model such that individuals are assumed to perceive the attractiveness, approximated by the population density, of the source or destination cell of migration as the spatial average over a circle of radius ≈1 km.

Molecular Rayleigh Scattering Diagnostic for Dynamic Temperature, Velocity, and Density Measurements

NASA Technical Reports Server (NTRS)

Mielke, Amy R.; Elam, Kristie A.; Sung, Chi-Jen

2006-01-01

A molecular Rayleigh scattering technique is developed to measure dynamic gas temperature, velocity, and density in unseeded turbulent flows at sampling rates up to 16 kHz. A high power CW laser beam is focused at a point in an air jet plume and Rayleigh scattered light is collected and spectrally resolved. The spectrum of the light, which contains information about the temperature and velocity of the flow, is analyzed using a Fabry-Perot interferometer. The circular interference fringe pattern is divided into four concentric regions and sampled at 1 and 16 kHz using photon counting electronics. Monitoring the relative change in intensity within each region allows for measurement of gas temperature and velocity. Independently monitoring the total scattered light intensity provides a measure of gas density. A low speed heated jet is used to validate the measurement of temperature fluctuations and an acoustically excited nozzle flow is studied to validate velocity fluctuation measurements. Power spectral density calculations of the property fluctuations, as well as mean and fluctuating quantities are presented. Temperature fluctuation results are compared with constant current anemometry measurements and velocity fluctuation results are compared with constant temperature anemometry measurements at the same locations.

Simulation study on characteristics of long-range interaction in randomly asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Zhao, Shi-Bo; Liu, Ming-Zhe; Yang, Lan-Ying

2015-04-01

In this paper we investigate the dynamics of an asymmetric exclusion process on a one-dimensional lattice with long-range hopping and random update via Monte Carlo simulations theoretically. Particles in the model will firstly try to hop over successive unoccupied sites with a probability q, which is different from previous exclusion process models. The probability q may represent the random access of particles. Numerical simulations for stationary particle currents, density profiles, and phase diagrams are obtained. There are three possible stationary phases: the low density (LD) phase, high density (HD) phase, and maximal current (MC) in the system, respectively. Interestingly, bulk density in the LD phase tends to zero, while the MC phase is governed by α, β, and q. The HD phase is nearly the same as the normal TASEP, determined by exit rate β. Theoretical analysis is in good agreement with simulation results. The proposed model may provide a better understanding of random interaction dynamics in complex systems. Project supported by the National Natural Science Foundation of China (Grant Nos. 41274109 and 11104022), the Fund for Sichuan Youth Science and Technology Innovation Research Team (Grant No. 2011JTD0013), and the Creative Team Program of Chengdu University of Technology.

Extreme ultraviolet probing of nonequilibrium dynamics in high energy density germanium

NASA Astrophysics Data System (ADS)

Principi, E.; Giangrisostomi, E.; Mincigrucci, R.; Beye, M.; Kurdi, G.; Cucini, R.; Gessini, A.; Bencivenga, F.; Masciovecchio, C.

2018-05-01

Intense femtosecond infrared laser pulses induce a nonequilibrium between thousands of Kelvin hot valence electrons and room-temperature ions in a germanium sample foil. The evolution of this exotic state of matter is monitored with time-resolved extreme ultraviolet absorption spectroscopy across the Ge M2 ,3 edge (≃30 eV ) using the FERMI free-electron laser. We analyze two distinct regimes in the ultrafast dynamics in laser-excited Ge: First, on a subpicosecond time scale, the electron energy distribution thermalizes to an extreme temperature unreachable in equilibrium solid germanium; then, during the following picoseconds, the lattice reacts strongly altering the electronic structure and resulting in melting to a metallic state alongside a breakdown of the local atomic order. Data analysis, based on a hybrid approach including both numerical and analytical calculations, provides an estimation of the electron and ion temperatures, the electron density of states, the carrier-phonon relaxation time, as well as the carrier density and lattice heat capacity under those extreme nonequilibrium conditions. Related structural anomalies, such as the occurrence of a transient low-density liquid phase and the possible drop in lattice heat capacity are discussed.

Effects of the distant population density on spatial patterns of demographic dynamics

PubMed Central

2017-01-01

Spatio-temporal patterns of population changes within and across countries have various implications. Different geographical, demographic and econo-societal factors seem to contribute to migratory decisions made by individual inhabitants. Focusing on internal (i.e. domestic) migration, we ask whether individuals may take into account the information on the population density in distant locations to make migratory decisions. We analyse population census data in Japan recorded with a high spatial resolution (i.e. cells of size 500×500 m) for the entirety of the country, and simulate demographic dynamics induced by the gravity model and its variants. We show that, in the census data, the population growth rate in a cell is positively correlated with the population density in nearby cells up to a distance of 20 km as well as that of the focal cell. The ordinary gravity model does not capture this empirical observation. We then show that the empirical observation is better accounted for by extensions of the gravity model such that individuals are assumed to perceive the attractiveness, approximated by the population density, of the source or destination cell of migration as the spatial average over a circle of radius ≈1 km. PMID:28878987

Effect of flow and active mixing on bacterial growth in a colon-like geometry

NASA Astrophysics Data System (ADS)

Cremer, Jonas; Segota, Igor; Arnoldini, Markus; Groisman, Alex; Hwa, Terence

The large intestine harbors bacteria from hundreds of species, with bacterial densities reaching up to 1012 cells per gram. Many different factors influence bacterial growth dynamics and thus bacterial density and microbiota composition. One dominant force is flow which can in principle lead to a washout of bacteria from the proximal colon. Active mixing by Contractions of the colonic wall together with bacterial growth might counteract such flow-forces and allow high bacterial densities to occur. As a step towards understanding bacterial growth in the presence of mixing and flow, we constructed an in-vitro setup where controlled wall-deformations of a channel emulate Contractions. We investigate growth along the channel under a steady nutrient inflow. In the limits of no or very frequent Contractions, the device behaves like a plug-flow reactor and a chemostat respectively. Depending on mixing and flow, we observe varying spatial gradients in bacterial density along the channel. Active mixing by deformations of the channel wall is shown to be crucial in maintaining a steady-state bacterial population in the presence of flow. The growth-dynamics is quantitatively captured by a simple mathematical model, with the effect of mixing described by an effective diffusion term.

Farm-scale variation of soil quality indices and association with edaphic properties

USDA-ARS?s Scientific Manuscript database

Soil organisms are indicators of dynamic soil quality because their community structure and population density are sensitive to management changes. However, edaphic properties can also affect soil organisms and high spatial variability can confound their utility for soil evaluation. In the present...

K-shell spectroscopy of silicon ions as diagnostic for high electric fields

NASA Astrophysics Data System (ADS)

Loetzsch, R.; Jäckel, O.; Höfer, S.; Kämpfer, T.; Polz, J.; Uschmann, I.; Kaluza, M. C.; Förster, E.; Stambulchik, E.; Kroupp, E.; Maron, Y.

2012-11-01

We developed a detection scheme, capable of measuring X-ray line shape of tracer ions in μm thick layers at the rear side of a target foil irradiated by ultra intense laser pulses. We performed simulations of the effect of strong electric fields on the K-shell emission of silicon and developed a spectrometer dedicated to record this emission. The combination of a cylindrically bent crystal in von Hámos geometry and a CCD camera with its single photon counting capability allows for a high dynamic range of the instrument and background free spectra. This approach will be used in future experiments to study electric fields of the order of TV/m at high density plasmas close to solid density.

STAR FORMATION AND SUPERCLUSTER ENVIRONMENT OF 107 NEARBY GALAXY CLUSTERS

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

Cohen, Seth A.; Hickox, Ryan C.; Wegner, Gary A.

We analyze the relationship between star formation (SF), substructure, and supercluster environment in a sample of 107 nearby galaxy clusters using data from the Sloan Digital Sky Survey. Previous works have investigated the relationships between SF and cluster substructure, and cluster substructure and supercluster environment, but definitive conclusions relating all three of these variables has remained elusive. We find an inverse relationship between cluster SF fraction ( f {sub SF}) and supercluster environment density, calculated using the Galaxy luminosity density field at a smoothing length of 8 h {sup −1} Mpc (D8). The slope of f {sub SF} versus D8more » is −0.008 ± 0.002. The f {sub SF} of clusters located in low-density large-scale environments, 0.244 ± 0.011, is higher than for clusters located in high-density supercluster cores, 0.202 ± 0.014. We also divide superclusters, according to their morphology, into filament- and spider-type systems. The inverse relationship between cluster f {sub SF} and large-scale density is dominated by filament- rather than spider-type superclusters. In high-density cores of superclusters, we find a higher f {sub SF} in spider-type superclusters, 0.229 ± 0.016, than in filament-type superclusters, 0.166 ± 0.019. Using principal component analysis, we confirm these results and the direct correlation between cluster substructure and SF. These results indicate that cluster SF is affected by both the dynamical age of the cluster (younger systems exhibit higher amounts of SF); the large-scale density of the supercluster environment (high-density core regions exhibit lower amounts of SF); and supercluster morphology (spider-type superclusters exhibit higher amounts of SF at high densities).« less

A Hybrid Cellular Automaton Model of Clonal Evolution in Cancer: The Emergence of the Glycolytic Phenotype

PubMed Central

Gerlee, P.; Anderson, A.R.A.

2009-01-01

We present a cellular automaton model of clonal evolution in cancer aimed at investigating the emergence of the glycolytic phenotype. In the model each cell is equipped with a micro-environment response network that determines the behaviour or phenotype of the cell based on the local environment. The response network is modelled using a feed-forward neural network, which is subject to mutations when the cells divide. This implies that cells might react differently to the environment and when space and nutrients are limited only the fittest cells will survive. With this model we have investigated the impact of the environment on the growth dynamics of the tumour. In particular we have analysed the influence of the tissue oxygen concentration and extra-cellular matrix density on the dynamics of the model. We found that the environment influences both the growth and evolutionary dynamics of the tumour. For low oxygen concentration we observe tumours with a fingered morphology, while increasing the matrix density gives rise to more compact tumours with wider fingers. The distribution of phenotypes in the tumour is also affected, and we observe that the glycolytic phenotype is most likely to emerge in a poorly oxygenated tissue with a high matrix density. Our results suggest that it is the combined effect of the oxygen concentration and matrix density that creates an environment where the glycolytic phenotype has a growth advantage and consequently is most likely to appear. PMID:18068192

Summary and Evaluation of the Strategic Defense Initiative Space Power Architecture Study

DTIC Science & Technology

1989-03-01

coolant as fuel) and operates at high efficiency . It was also lower in vibration and dynamic effects than the combustion turbine. The fuel cell ...achievable with development. The main question with fuel cells is — can both high power density and high efficiency be achieved simultaneously? In...energy in a flywheel, fuel cell (power an electrolyzer) or battery. High power for weapon burst is obtained by discharging the storage device over a

Invited Paper - Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

NASA Astrophysics Data System (ADS)

Cremer, Dieter

The electron correlation effects covered by density functional theory (DFT) can be assessed qualitatively by comparing DFT densities ρ(r) with suitable reference densities obtained with wavefunction theory (WFT) methods that cover typical electron correlation effects. The analysis of difference densities ρ(DFT)-ρ(WFT) reveals that LDA and GGA exchange (X) functionals mimic non-dynamic correlation effects in an unspecified way. It is shown that these long range correlation effects are caused by the self-interaction error (SIE) of standard X functionals. Self-interaction corrected (SIC) DFT exchange gives, similar to exact exchange, for the bonding region a delocalized exchange hole, and does not cover any correlation effects. Hence, the exchange SIE is responsible for the fact that DFT densities often resemble MP4 or MP2 densities. The correlation functional changes X-only DFT densities in a manner observed when higher order coupling effects between lower order N-electron correlation effects are included. Hybrid functionals lead to changes in the density similar to those caused by SICDFT, which simply reflects the fact that hybrid functionals have been developed to cover part of the SIE and its long range correlation effects in a balanced manner. In the case of spin-unrestricted DFT (UDFT), non-dynamic electron correlation effects enter the calculation both via the X functional and via the wavefunction, which may cause a double-counting of correlation effects. The use of UDFT in the form of permuted orbital and broken-symmetry DFT (PO-UDFT, BS-UDFT) can lead to reasonable descriptions of multireference systems provided certain conditions are fulfilled. More reliable, however, is a combination of DFT and WFT methods, which makes the routine description of multireference systems possible. The development of such methods implies a separation of dynamic and non-dynamic correlation effects. Strategies for accomplishing this goal are discussed in general and tested in practice for CAS (complete active space)-DFT.

Density dependence in demography and dispersal generates fluctuating invasion speeds

PubMed Central

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

Hierarchical tone mapping for high dynamic range image visualization

NASA Astrophysics Data System (ADS)

Qiu, Guoping; Duan, Jiang

2005-07-01

In this paper, we present a computationally efficient, practically easy to use tone mapping techniques for the visualization of high dynamic range (HDR) images in low dynamic range (LDR) reproduction devices. The new method, termed hierarchical nonlinear linear (HNL) tone-mapping operator maps the pixels in two hierarchical steps. The first step allocates appropriate numbers of LDR display levels to different HDR intensity intervals according to the pixel densities of the intervals. The second step linearly maps the HDR intensity intervals to theirs allocated LDR display levels. In the developed HNL scheme, the assignment of LDR display levels to HDR intensity intervals is controlled by a very simple and flexible formula with a single adjustable parameter. We also show that our new operators can be used for the effective enhancement of ordinary images.

Flow and active mixing have a strong impact on bacterial growth dynamics in the proximal large intestine

NASA Astrophysics Data System (ADS)

Cremer, Jonas; Segota, Igor; Yang, Chih-Yu; Arnoldini, Markus; Groisman, Alex; Hwa, Terence

2016-11-01

More than half of fecal dry weight is bacterial mass with bacterial densities reaching up to 1012 cells per gram. Mostly, these bacteria grow in the proximal large intestine where lateral flow along the intestine is strong: flow can in principal lead to a washout of bacteria from the proximal large intestine. Active mixing by contractions of the intestinal wall together with bacterial growth might counteract such a washout and allow high bacterial densities to occur. As a step towards understanding bacterial growth in the presence of mixing and flow, we constructed an in-vitro setup where controlled wall-deformations of a channel emulate contractions. We investigate growth along the channel under a steady nutrient inflow. Depending on mixing and flow, we observe varying spatial gradients in bacterial density along the channel. Active mixing by deformations of the channel wall is shown to be crucial in maintaining a steady-state bacterial population in the presence of flow. The growth-dynamics is quantitatively captured by a simple mathematical model, with the effect of mixing described by an effective diffusion term. Based on this model, we discuss bacterial growth dynamics in the human large intestine using flow- and mixing-behavior having been observed for humans.

Mass Transport in the Warm, Dense Matter and High-Energy Density Regimes

NASA Astrophysics Data System (ADS)

Kress, J. D.; Burakovsky, L.; Ticknor, C.; Collins, L. A.; Lambert, F.

2011-10-01

Large-scale hydrodynamical simulations of fluids and plasmas under extreme conditions require knowledge of certain microscopic properties such as diffusion and viscosity in addition to the equation-of-state. To determine these dynamical properties, we employ quantum molecular dynamical (MD) simulations on large samples of atoms. The method has several advantages: 1) static, dynamical, and optical properties are produced consistently from the same simulations, and 2) mixture properties arise in a natural way since all intra- and inter-particle interactions are properly represented. We utilize two forms of density functional theory: 1) Kohn-Sham (KS-DFT) and 2) orbital-free (OF-DFT). KS-DFT is computationally intense due to its reliance on an orbital representation. As the temperature rises, the Thomas-Fermi approximation in OF-DFT begins to represent accurately the density functional, and provides an efficient and systematic means for extending the quantum simulations to very hot conditions. We have performed KS-DFT and OF-DFT calculations of the self-diffusion, mutual diffusion and shear viscosity for Al, Li, H, and LiH. We examine trends in these quantities and compare to more approximate forms such as the one-component plasma model. We also determine the validity of mixing rules that combine the properties of pure species into a composite result.

Geographic variation in density-dependent dynamics impacts the synchronizing effect of dispersal and regional stochasticity

Treesearch

Andrew M. Liebhold; Derek M. Johnson; Ottar N. Bj& #248rnstad

2006-01-01

Explanations for the ubiquitous presence of spatially synchronous population dynamics have assumed that density-dependent processes governing the dynamics of local populations are identical among disjunct populations, and low levels of dispersal or small amounts of regionalized stochasticity ("Moran effect") can act to synchronize populations. In this study...

Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum

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

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.

For nanosecond electrical explosion of fine metal wires in vacuum generates calibrated, radially expanded gas cylinders of metal atoms are surrounded by low-density fast expanding plasma corona. Here, a novel integrated-phase technique, based on laser interferometry, provides the dynamic dipole polarizability of metal atoms. This data was previously unavailable for tungsten atoms. Furthermore, an extremely high melting temperature and significant pre-melt electronic emission make these measurements particularly complicated for this refractory metal.

Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum

DOE PAGES

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.

2016-10-12

For nanosecond electrical explosion of fine metal wires in vacuum generates calibrated, radially expanded gas cylinders of metal atoms are surrounded by low-density fast expanding plasma corona. Here, a novel integrated-phase technique, based on laser interferometry, provides the dynamic dipole polarizability of metal atoms. This data was previously unavailable for tungsten atoms. Furthermore, an extremely high melting temperature and significant pre-melt electronic emission make these measurements particularly complicated for this refractory metal.

Materials compatibility issues related to thermal energy storage for a space solar dynamic power system

NASA Technical Reports Server (NTRS)

Faget, N. M.

1986-01-01

Attention is given to results obtained to date in developmental investigations of a thermal energy storage (TES) system for the projected NASA Space Station's solar dynamic power system; these tests have concentrated on issues related to materials compatibility for phase change materials (PCMs) and their containment vessels' materials. The five PCMs tested have melting temperatures that correspond to the operating temperatures of either the Brayton or Rankine heat engines, which were independently chosen for their high energy densities.

Density Scaling of Glassy Dynamics and Dynamic Heterogeneities in Glass-forming Liquids.

NASA Astrophysics Data System (ADS)

Hu, Yuan-Chao; Yang, Yong; Wang, Wei-Hua

The discovery of density scaling in strongly correlating systems is an important progress for understanding the dynamic behaviors of supercooled liquids. Here we found for a ternary metallic glass-forming liquid, it is not strongly correlating thermodynamically, but its average dynamics, dynamic heterogeneities and static structure are still well described by density scaling with the same scaling exponent γ. As an intrinsic material constant stemming from the fundamental interatomic interactions, γ is theoretically predicted from the thermodynamic fluctuations of potential energy and the virial. Although γ is conventionally understood merely from the repulsive part of the inter-particle potentials, the strong correlation between γ and the Grüneisen parameter up to the accuracy of the Dulong-Petit approximation demonstrates the important roles of anharmonicity and attractive force of the interatomic potential in governing glass transition of metallic glass-formers. The supercooled dynamics and density scaling behaviors will also be discussed in model glass-forming liquids with tunable attractive potentials to further quantify the nonperturbative roles of attractive interactions. We acknowledge the support from ''Peter Ho Conference Scholarships'' of City University of Hong Kong.

Floating macro-litter along the Mediterranean French coast: Composition, density, distribution and overlap with cetacean range.

PubMed

Di-Méglio, Nathalie; Campana, Ilaria

2017-05-15

This study investigated the composition, density and distribution of floating macro-litter along the Liguro-Provençal basin with respect to cetaceans presence. Survey transects were performed in summer between 2006 and 2015 from sailing vessels with simultaneous cetaceans observations. During 5171km travelled, 1993 floating items were recorded, widespread in the whole study area. Plastics was the predominant category, with bags/packaging always representing >45% of total items. Overall mean density (14.98 items/km 2 ) was stable with significant increase reported only in 2010-2011; monthly analysis showed lower litter densities in July-September, suggesting possible seasonal patterns. Kernel density estimation for plastics revealed ubiquitous distribution rather than high accumulation areas, mainly due to the circulation dynamics of this area. The presence range of cetaceans (259 sightings, 6 species) corresponded by ~50% with plastic distribution, indicating high potential of interaction, especially in the eastern part of the area, but effective risks for marine species might be underrepresented. Copyright © 2017 Elsevier Ltd. All rights reserved.

[Soil moisture dynamics and water balance of Salix psammophila shrubs in south edge of Mu Us Sandy Land].

PubMed

An, Hui; An, Yu

2011-09-01

Taking the artificial sand-fixing Salix psammophila shrubs with different plant density (0.2, 0.6, and 0.8 plants x m(-2)) in Mu Us Sandy Land as test objects, this paper studied the soil moisture dynamics and evapotranspiration during growth season. There existed obvious differences in the soil moisture dynamics and evapotranspiration among the shrubs. The soil moisture content changed in single-hump-shape with the increase of plant density, and in "S" shape during growth season, being closely correlated with precipitation. The evapotranspiration was the highest (114.5 mm) in the shrubs with a density 0.8 plants x m(-1), accounting for 90.8% of the total precipitation during growth season, and the lowest (109.7 mm) in the shrubs with a density 0.6 plants x m(-2) Based on the soil moisture dynamics and water balance characteristics, the appropriate planting density of S. psammophila shrubs in Mu Us Sandy Land could be 0.6 plants x m(-2).

Dynamic density functional theory with hydrodynamic interactions: theoretical development and application in the study of phase separation in gas-liquid systems.

PubMed

Kikkinides, E S; Monson, P A

2015-03-07

Building on recent developments in dynamic density functional theory, we have developed a version of the theory that includes hydrodynamic interactions. This is achieved by combining the continuity and momentum equations eliminating velocity fields, so the resulting model equation contains only terms related to the fluid density and its time and spatial derivatives. The new model satisfies simultaneously continuity and momentum equations under the assumptions of constant dynamic or kinematic viscosity and small velocities and/or density gradients. We present applications of the theory to spinodal decomposition of subcritical temperatures for one-dimensional and three-dimensional density perturbations for both a van der Waals fluid and for a lattice gas model in mean field theory. In the latter case, the theory provides a hydrodynamic extension to the recently studied dynamic mean field theory. We find that the theory correctly describes the transition from diffusive phase separation at short times to hydrodynamic behaviour at long times.

Dynamic density functional theory with hydrodynamic interactions: Theoretical development and application in the study of phase separation in gas-liquid systems

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

Kikkinides, E. S.; Monson, P. A.

Building on recent developments in dynamic density functional theory, we have developed a version of the theory that includes hydrodynamic interactions. This is achieved by combining the continuity and momentum equations eliminating velocity fields, so the resulting model equation contains only terms related to the fluid density and its time and spatial derivatives. The new model satisfies simultaneously continuity and momentum equations under the assumptions of constant dynamic or kinematic viscosity and small velocities and/or density gradients. We present applications of the theory to spinodal decomposition of subcritical temperatures for one-dimensional and three-dimensional density perturbations for both a van dermore » Waals fluid and for a lattice gas model in mean field theory. In the latter case, the theory provides a hydrodynamic extension to the recently studied dynamic mean field theory. We find that the theory correctly describes the transition from diffusive phase separation at short times to hydrodynamic behaviour at long times.« less

The Progenitor Dependence of Core-collapse Supernovae from Three-dimensional Simulations with Progenitor Models of 12–40 M ⊙

NASA Astrophysics Data System (ADS)

Ott, Christian D.; Roberts, Luke F.; da Silva Schneider, André; Fedrow, Joseph M.; Haas, Roland; Schnetter, Erik

2018-03-01

We present a first study of the progenitor star dependence of the three-dimensional (3D) neutrino mechanism of core-collapse supernovae. We employ full 3D general-relativistic multi-group neutrino radiation-hydrodynamics and simulate the postbounce evolutions of progenitors with zero-age main sequence masses of 12, 15, 20, 27, and 40 M ⊙. All progenitors, with the exception of the 12 M ⊙ star, experience shock runaway by the end of their simulations. In most cases, a strongly asymmetric explosion will result. We find three qualitatively distinct evolutions that suggest a complex dependence of explosion dynamics on progenitor density structure, neutrino heating, and 3D flow. (1) Progenitors with massive cores, shallow density profiles, and high post-core-bounce accretion rates experience very strong neutrino heating and neutrino-driven turbulent convection, leading to early shock runaway. Accretion continues at a high rate, likely leading to black hole formation. (2) Intermediate progenitors experience neutrino-driven, turbulence-aided explosions triggered by the arrival of density discontinuities at the shock. These occur typically at the silicon/silicon–oxygen shell boundary. (3) Progenitors with small cores and density profiles without strong discontinuities experience shock recession and develop the 3D standing-accretion shock instability (SASI). Shock runaway ensues late, once declining accretion rate, SASI, and neutrino-driven convection create favorable conditions. These differences in explosion times and dynamics result in a non-monotonic relationship between progenitor and compact remnant mass.

Critical Dynamics of Gravito-Convective Mixing in Geological Carbon Sequestration

PubMed Central

Soltanian, Mohamad Reza; Amooie, Mohammad Amin; Dai, Zhenxue; Cole, David; Moortgat, Joachim

2016-01-01

When CO2 is injected in saline aquifers, dissolution causes a local increase in brine density that can cause Rayleigh-Taylor-type gravitational instabilities. Depending on the Rayleigh number, density-driven flow may mix dissolved CO2 throughout the aquifer at fast advective time-scales through convective mixing. Heterogeneity can impact density-driven flow to different degrees. Zones with low effective vertical permeability may suppress fingering and reduce vertical spreading, while potentially increasing transverse mixing. In more complex heterogeneity, arising from the spatial organization of sedimentary facies, finger propagation is reduced in low permeability facies, but may be enhanced through more permeable facies. The connectivity of facies is critical in determining the large-scale transport of CO2-rich brine. We perform high-resolution finite element simulations of advection-diffusion transport of CO2 with a focus on facies-based bimodal heterogeneity. Permeability fields are generated by a Markov Chain approach, which represent facies architecture by commonly observed characteristics such as volume fractions. CO2 dissolution and phase behavior are modeled with the cubic-plus-association equation-of-state. Our results show that the organization of high-permeability facies and their connectivity control the dynamics of gravitationally unstable flow. We discover new flow regimes in both homogeneous and heterogeneous media and present quantitative scaling relations for their temporal evolution. PMID:27808178

High-latitude electron density observations from the IMAGE radio plasma imager

NASA Astrophysics Data System (ADS)

Henize, Vance Karl

2003-11-01

Before the IMAGE mission, electron densities in the high latitude, high altitude region of the magnetosphere were measured exclusively by in situ means. The Radio Plasma Imager instrument onboard IMAGE is capable of remotely observing electron densities between 0.01 and 100,000 e-/cm-3 from distances of several Earth radii or more. This allows a global view of the high latitude region that has a far greater accuracy than was previously possible. Soundings of the terrestrial magnetic cusp provide the first remote observations of the dynamics and poleward density profile of this feature continuously over a 60- minute interval. During steady quiet-time solar wind and interplanetary magnetic field conditions, the cusp is shown to be stable in both position and density structure with only slight variations in both. Peak electron densities within the cusp during this time are found to be somewhat higher than predicted. New procedures for deriving electron densities from radio sounding measurements are developed. The addition of curve fitting algorithms significantly increases the amount of useable data. Incorporating forward modeling techniques greatly reduces the computational time over traditional inversion methods. These methods are described in detail. A large number high latitude observations of ducted right-hand extraordinary mode waves made over the course of one year of the IMAGE mission are used to create a three dimensional model of the electron density profile of the terrestrial polar cap region. The dependence of electron density in the polar cap on average geocentric distance (d) is found to vary as d-6.6. This is a significantly steeper gradient than cited in earlier works such as Persoon et al., although the introduction of an asymptotic term provides for basic agreement in the limited region of their joint validity. Latitudinal and longitudinal variations are found to be insignificant. Both the mean profile power law index of the electron density profile and, to a stronger degree, its variance show dependence with the DST index.

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

Wilke, R. N., E-mail: rwilke@gwdg.de; Wallentin, J.; Osterhoff, M.

The Large Area Medipix-Based Detector Array (Lambda) has been used in a ptychographic imaging experiment on solar-cell nanowires. By using a semi-transparent central stop, the high flux density provided by nano-focusing Kirkpatrick–Baez mirrors can be fully exploited for high-resolution phase reconstructions. Suitable detection systems that are capable of recording high photon count rates with single-photon detection are instrumental for coherent X-ray imaging. The new single-photon-counting pixel detector ‘Lambda’ has been tested in a ptychographic imaging experiment on solar-cell nanowires using Kirkpatrick–Baez-focused 13.8 keV X-rays. Taking advantage of the high count rate of the Lambda and dynamic range expansion by themore » semi-transparent central stop, a high-dynamic-range diffraction signal covering more than seven orders of magnitude has been recorded, which corresponds to a photon flux density of about 10{sup 5} photons nm{sup −2} s{sup −1} or a flux of ∼10{sup 10} photons s{sup −1} on the sample. By comparison with data taken without the semi-transparent central stop, an increase in resolution by a factor of 3–4 is determined: from about 125 nm to about 38 nm for the nanowire and from about 83 nm to about 21 nm for the illuminating wavefield.« less

Modeling dynamic plasmas driven by ultraintense nano-focused x-ray laser pulses in solid iron targets

NASA Astrophysics Data System (ADS)

Royle, Ryan; Sentoku, Yasuhiko; Mancini, Roberto

2017-10-01

The hard x-ray free electron laser has proven to be a valuable tool for high energy density (HED) physics as it is able to produce well-characterized samples of HED matter at exactly solid density and homogeneous temperatures. However, if the x-ray pulses are focused to sub-micron spot sizes, where peak intensities can exceed 1020 W/cm2, the plasmas driven by sources of non-thermal photoelectrons and Auger electrons can be highly dynamic and so cannot be modeled by atomic kinetics or fluid codes. We apply the 2D/3D particle-in-cell code, PICLS-which has been extended with numerous physics models to enable the simulation of XFEL-driven plasmas-to the modeling of such dynamic plasmas driven by nano-focused XFEL pulses in solid iron targets. In the case of the smallest focal spot investigated of just 100 nm in diameter, keV plasmas induce strong radial E-fields that accelerate keV ions radially as well as sheath fields that accelerate surface ions to hundreds of keV. The heated spot, which is initially larger than the laser spot due to the kinetic nature of the fast Auger electrons, expands as ion and electron waves propagate radially, leaving a low density region along the laser axis. This research was supported by the US DOE-OFES under Grant No. DE-SC0008827, the DOE-NNSA under Grant No. DE-NA0002075, and the JSPS KAKENHI under Grant No. JP15K21767.

How do microalgae perceive light in a high-rate pond? Towards more realistic Lagrangian experiments.

PubMed

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.

How do microalgae perceive light in a high-rate pond? Towards more realistic Lagrangian experiments

PubMed Central

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

Dynamics of Active Layer Depth across Alaskan Tundra Ecosystems

NASA Astrophysics Data System (ADS)

Ma, C.; Zhang, X.; Song, X.; Xu, X.

2016-12-01

The thickness of the active layer, near-surface layer of Earth material above permafrost undergoing seasonal freezing and thawing, is of considerable importance in high-latitude environments because most physical, chemical, and biological processes in the permafrost region take place within it. The dynamics of active layer thickness (ALT) result from a combination of various factors including heat transfer, soil water content, soil texture, root density, stem density, moss layer thickness, organic layer thickness, etc. However, the magnitude and controls of ALT in the permafrost region remain uncertain. The purpose of this study is to improve our understanding of the dynamics of ALT across Alaskan tundra ecosystems and their controls at multiple scales, ranging from plots to entire Alaska. This study compiled a comprehensive dataset of ALT at site and regional scales across the Alaskan tundra ecosystems, and further analyzed ALT dynamics and their hierarchical controls. We found that air temperature played a predominant role on the seasonality of ALT, regulated by other physical and chemical factors including soil texture, moisture, and root density. The structural equation modeling (SEM) analysis confirmed the predominant role of physical controls (dominated by heat and soil properties), followed by chemical and biological factors. Then a simple empirical model was developed to reconstruct the ALT across the Alaska. The comparisons against field observational data show that the method used in this study is robust; the reconstructed time-series ALT across Alaska provides a valuable dataset source for understanding ALT and validating large-scale ecosystem models.

Spatio-temporal dynamics of a fish predator: Density-dependent and hydrographic effects on Baltic Sea cod population

PubMed Central

Bartolino, Valerio; Tian, Huidong; Bergström, Ulf; Jounela, Pekka; Aro, Eero; Dieterich, Christian; Meier, H. E. Markus; Cardinale, Massimiliano; Bland, Barbara

2017-01-01

Understanding the mechanisms of spatial population dynamics is crucial for the successful management of exploited species and ecosystems. However, the underlying mechanisms of spatial distribution are generally complex due to the concurrent forcing of both density-dependent species interactions and density-independent environmental factors. Despite the high economic value and central ecological importance of cod in the Baltic Sea, the drivers of its spatio-temporal population dynamics have not been analytically investigated so far. In this paper, we used an extensive trawl survey dataset in combination with environmental data to investigate the spatial dynamics of the distribution of the Eastern Baltic cod during the past three decades using Generalized Additive Models. The results showed that adult cod distribution was mainly affected by cod population size, and to a minor degree by small-scale hydrological factors and the extent of suitable reproductive areas. As population size decreases, the cod population concentrates to the southern part of the Baltic Sea, where the preferred more marine environment conditions are encountered. Using the fitted models, we predicted the Baltic cod distribution back to the 1970s and a temporal index of cod spatial occupation was developed. Our study will contribute to the management and conservation of this important resource and of the ecosystem where it occurs, by showing the forces shaping its spatial distribution and therefore the potential response of the population to future exploitation and environmental changes. PMID:28207804

Seasonal population dynamics of the invasive polychaete genus Marenzelleria spp. in contrasting soft-sediment habitats

NASA Astrophysics Data System (ADS)

Kauppi, L.; Norkko, A.; Norkko, J.

2018-01-01

Three species of the invasive polychaete genus Marenzelleria are among the dominant benthic taxa in many, especially deeper, areas in the Baltic Sea. The population dynamics of the polychaetes in the Baltic are, however, still largely unknown. We conducted monthly samplings of the benthic communities and environmental parameters at five sites with differing depths and sediment characteristics in the northern Baltic Sea (59°50.896‧, 23°15.092‧) to study the population dynamics, productivity and growth of Marenzelleria spp. from April 2013 to June 2014. The species of Marenzelleria occurring at the study sites were identified by genetic analyses. At the deepest site (33 m) only M. arctia was present, while all three species were found at the shallower, muddy sites (up to 20 m depth). At the shallow (6 m) sandy site only M. viridis and M. neglecta occurred. The sites differed in the seasonal dynamics of the Marenzelleria spp. population, reflecting the different species identities. The muddy sites up to 20 m depth showed clear seasonal dynamics, with the population practically disappearing by winter, whereas more stable populations occurred at the deepest site and at the sandy site. The highest density, biomass and production were observed at the 20 m deep, organic-rich muddy site where all three species recruited. The seasonally very high densities are likely to have important consequences for organic matter processing, and species interactions at these sites. The observed high productivity of the populations has possibly facilitated their establishment, and considerably increased secondary production in especially the deeper areas.

Structure and mechanism of diet specialisation: testing models of individual variation in resource use with sea otters

USGS Publications Warehouse

Tinker, M. Tim; Guimarães, Paulo R.; Novak, Mark; Marquitti, Flavia Maria Darcie; Bodkin, James L.; Staedler, Michelle; Bentall, Gena B.; Estes, James A.

2012-01-01

Studies of consumer-resource interactions suggest that individual diet specialisation is empirically widespread and theoretically important to the organisation and dynamics of populations and communities. We used weighted networks to analyze the resource use by sea otters, testing three alternative models for how individual diet specialisation may arise. As expected, individual specialisation was absent when otter density was low, but increased at high-otter density. A high-density emergence of nested resource-use networks was consistent with the model assuming individuals share preference ranks. However, a density-dependent emergence of a non-nested modular network for ‘core’ resources was more consistent with the ‘competitive refuge’ model. Individuals from different diet modules showed predictable variation in rank-order prey preferences and handling times of core resources, further supporting the competitive refuge model. Our findings support a hierarchical organisation of diet specialisation and suggest individual use of core and marginal resources may be driven by different selective pressures.

Impact compaction of a granular material

DOE PAGES

Fenton, Gregg; Asay, Blaine; Dalton, Devon

2015-05-19

The dynamic behavior of granular materials has importance to a variety of engineering applications. Structural seismic coupling, planetary science, and earth penetration mechanics, are just a few of the application areas. Although the mechanical behavior of granular materials of various types have been studied extensively for several decades, the dynamic behavior of such materials remains poorly understood. High-quality experimental data are needed to improve our general understanding of granular material compaction physics. This study will describe how an instrumented plunger impact system can be used to measure pressure-density relationships for model materials at high and controlled strain rates and subsequentlymore » used for computational modeling.« less

Dynamic properties of ionospheric plasma turbulence driven by high-power high-frequency radiowaves

NASA Astrophysics Data System (ADS)

Grach, S. M.; Sergeev, E. N.; Mishin, E. V.; Shindin, A. V.

2016-11-01

A review is given of the current state-of-the-art of experimental studies and the theoretical understanding of nonlinear phenomena that occur in the ionospheric F-layer irradiated by high-power high-frequency ground-based transmitters. The main focus is on the dynamic features of high-frequency turbulence (plasma waves) and low-frequency turbulence (density irregularities of various scales) that have been studied in experiments at the Sura and HAARP heating facilities operated in temporal and frequency regimes specially designed with consideration of the characteristic properties of nonlinear processes in the perturbed ionosphere using modern radio receivers and optical instruments. Experimental results are compared with theoretical turbulence models for a magnetized collisional plasma in a high-frequency electromagnetic field, allowing the identification of the processes responsible for the observed features of artificial ionospheric turbulence.

Density of wild prey modulates lynx kill rates on free-ranging domestic sheep.

PubMed

Odden, John; Nilsen, Erlend B; Linnell, John D C

2013-01-01

Understanding the factors shaping the dynamics of carnivore-livestock conflicts is vital to facilitate large carnivore conservation in multi-use landscapes. We investigated how the density of their main wild prey, roe deer Capreolus capreolus, modulates individual Eurasian lynx Lynx lynx kill rates on free-ranging domestic sheep Ovis aries across a range of sheep and roe deer densities. Lynx kill rates on free-ranging domestic sheep were collected in south-eastern Norway from 1995 to 2011 along a gradient of different livestock and wild prey densities using VHF and GPS telemetry. We used zero-inflated negative binomial (ZINB) models including lynx sex, sheep density and an index of roe deer density as explanatory variables to model observed kill rates on sheep, and ranked the models based on their AICc values. The model including the effects of lynx sex and sheep density in the zero-inflation model and the effect of lynx sex and roe deer density in the negative binomial part received most support. Irrespective of sheep density and sex, we found the lowest sheep kill rates in areas with high densities of roe deer. As roe deer density decreased, males killed sheep at higher rates, and this pattern held for both high and low sheep densities. Similarly, females killed sheep at higher rates in areas with high densities of sheep and low densities of roe deer. However, when sheep densities were low females rarely killed sheep irrespective of roe deer density. Our quantification of depredation rates can be the first step towards establishing fairer compensation systems based on more accurate and area specific estimation of losses. This study demonstrates how we can use ecological theory to predict where losses of sheep will be greatest, and can be used to identify areas where mitigation measures are most likely to be needed.

Density of Wild Prey Modulates Lynx Kill Rates on Free-Ranging Domestic Sheep

PubMed Central

Odden, John; Nilsen, Erlend B.; Linnell, John D. C.

2013-01-01

Understanding the factors shaping the dynamics of carnivore–livestock conflicts is vital to facilitate large carnivore conservation in multi-use landscapes. We investigated how the density of their main wild prey, roe deer Capreolus capreolus, modulates individual Eurasian lynx Lynx lynx kill rates on free-ranging domestic sheep Ovis aries across a range of sheep and roe deer densities. Lynx kill rates on free-ranging domestic sheep were collected in south-eastern Norway from 1995 to 2011 along a gradient of different livestock and wild prey densities using VHF and GPS telemetry. We used zero-inflated negative binomial (ZINB) models including lynx sex, sheep density and an index of roe deer density as explanatory variables to model observed kill rates on sheep, and ranked the models based on their AICc values. The model including the effects of lynx sex and sheep density in the zero-inflation model and the effect of lynx sex and roe deer density in the negative binomial part received most support. Irrespective of sheep density and sex, we found the lowest sheep kill rates in areas with high densities of roe deer. As roe deer density decreased, males killed sheep at higher rates, and this pattern held for both high and low sheep densities. Similarly, females killed sheep at higher rates in areas with high densities of sheep and low densities of roe deer. However, when sheep densities were low females rarely killed sheep irrespective of roe deer density. Our quantification of depredation rates can be the first step towards establishing fairer compensation systems based on more accurate and area specific estimation of losses. This study demonstrates how we can use ecological theory to predict where losses of sheep will be greatest, and can be used to identify areas where mitigation measures are most likely to be needed. PMID:24278123

Effects of dynamic heterogeneity and density scaling of molecular dynamics on the relationship among thermodynamic coefficients at the glass transition

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

Koperwas, K., E-mail: kkoperwas@us.edu.pl; Grzybowski, A.; Grzybowska, K.

2015-07-14

In this paper, we define and experimentally verify thermodynamic characteristics of the liquid-glass transition, taking into account a kinetic origin of the process. Using the density scaling law and the four-point measure of the dynamic heterogeneity of molecular dynamics of glass forming liquids, we investigate contributions of enthalpy, temperature, and density fluctuations to spatially heterogeneous molecular dynamics at the liquid-glass transition, finding an equation for the pressure coefficient of the glass transition temperature, dTg/dp. This equation combined with our previous formula for dTg/dp, derived solely from the density scaling criterion, implies a relationship among thermodynamic coefficients at Tg. Since thismore » relationship and both the equations for dTg/dp are very well validated using experimental data at Tg, they are promising alternatives to the classical Prigogine-Defay ratio and both the Ehrenfest equations in case of the liquid-glass transition.« less