Method and apparatus for the separation of solid particles having different densities

NARCIS (Netherlands)

Rem, P.C.; Berkhout, S.P.M.

2011-01-01

A method and apparatus for separating solid particles of different densities, using a magnetic process fluid. The solid particles are thoroughly mixed in a small partial flow of the process fluid. The small turbulent partial flow is added to a large laminar partial flow of the process fluid, after

Perspective: Fundamental aspects of time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Maitra, Neepa T. [Department of Physics and Astronomy, Hunter College and the Physics Program at the Graduate Center of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States)

2016-06-14

In the thirty-two years since the birth of the foundational theorems, time-dependent density functional theory has had a tremendous impact on calculations of electronic spectra and dynamics in chemistry, biology, solid-state physics, and materials science. Alongside the wide-ranging applications, there has been much progress in understanding fundamental aspects of the functionals and the theory itself. This Perspective looks back to some of these developments, reports on some recent progress and current challenges for functionals, and speculates on future directions to improve the accuracy of approximations used in this relatively young theory.

Experimental measurements of deep directional columnar heating by laser-generated relativistic electrons at near-solid density

International Nuclear Information System (INIS)

Koch, J.A.; Key, M.H.; Hatchett, S.P.; Lee, R.W.; Pennington, D.; Tabak, M.; Freeman, R.R.; Stephens, R.B.

2002-01-01

In our experiments, we irradiated solid CH targets with a 400 J, 5 ps, 3x10 19 W/cm 2 laser, and we used x-ray imaging and spectroscopic diagnostics to monitor the keV x-ray emission from thin Al or Au tracer layers buried within the targets. The experiments were designed to quantify the spatial distribution of the thermal electron temperature and density as a function of buried layer depth; these data provide insights into the behavior of relativistic electron currents which flow within the solid target and are directly and indirectly responsible for the heating. We measured ∼200-350 eV temperatures and near-solid densities at depths ranging from 5 to 100 μm beneath the target surface. Time-resolved x-ray spectra from Al tracers indicate that the tracers emit thermal x rays and cool slowly compared to the time scale of the laser pulse. Most intriguingly, we consistently observe annular x-ray images in all buried tracer-layer experiments, and these data show that the temperature distribution is columnar, with enhanced heating along the edges of the column. The ring diameters are much greater than the laser focal spot diameter and do not vary significantly with the depth of the tracer layer for depths greater than 30 μm. The local temperatures are 200-350 eV for all tracer depths. We discuss recent simulations of the evolution of electron currents deep within solid targets irradiated by ultra-high-intensity lasers, and we discuss how modeling and analytical results suggest that the annular patterns we observe may be related to locally strong growth of the Weibel instability. We also suggest avenues for future research in order to further illuminate the complex physics of relativistic electron transport and energy deposition inside ultra-high-intensity laser-irradiated solid targets

Fundamentals of time-dependent density functional theory

International Nuclear Information System (INIS)

Marques, Miguel A.L.; Rubio, Angel

2012-01-01

There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. (orig.)

High-Density Near-Field Readout Using Diamond Solid Immersion Lens

Science.gov (United States)

Shinoda, Masataka; Saito, Kimihiro; Kondo, Takao; Nakaoki, Ariyoshi; Furuki, Motohiro; Takeda, Minoru; Yamamoto, Masanobu; Schaich, Thomas J.; van Oerle, Bart M.; Godfried, Herman P.; Kriele, Paul A. C.; Houwman, Evert P.; Nelissen, Wim H. M.; Pels, Gert J.; Spaaij, Paul G. M.

2006-02-01

We investigated high-density near-field readout using a diamond solid immersion lens (SIL). A synthetic single-crystal chemical vapor deposition diamond provides a high refractive index and a high transmission for a wide wavelength range. Since the refractive index at a wavelength of 405 nm is 2.458, we could design a solid immersion lens with an effective numerical aperture of 2.34. Using the diamond SIL, we observed the eye pattern of a 150-GB-capacity (104.3 Gbit/in.2) disk with a track pitch of 130 nm and a bit length of 47.6 nm.

Estimated refractive index and solid density of DT, with application to hollow-microsphere laser targets

International Nuclear Information System (INIS)

Briggs, C.K.; Tsugawa, R.T.; Hendricks, C.D.; Souers, P.C.

1975-01-01

The literature values for the 0.55-μm refractive index N of liquid and gaseous H 2 and D 2 are combined to yield the equation (N - 1) = [(3.15 +- 0.12) x 10 -6 ]rho, where rho is the density in moles per cubic meter. This equation can be extrapolated to 300 0 K for use on DT in solid, liquid, and gas phases. The equation is based on a review of solid-hydrogen densities measured in bulk and also by diffraction methods. By extrapolation, the estimated densities and 0.55-μm refractive indices for DT are given. Radiation-induced point defects could possibly cause optical absorption and a resulting increased refractive index in solid DT and T 2 . The effect of the DT refractive index in measuring glass and cryogenic DT laser targets is also described

Diagnosis of Weibel instability evolution in the rear surface density scale lengths of laser solid interactions via proton acceleration

International Nuclear Information System (INIS)

Scott, G G; Brenner, C M; Clarke, R J; Green, J S; Heathcote, R I; Rusby, D R; McKenna, P; Neely, D; Bagnoud, V; Zielbauer, B; Gonzalez-Izquierdo, B; Powell, H W

2017-01-01

It is shown for the first time that the spatial and temporal distribution of laser accelerated protons can be used as a diagnostic of Weibel instability presence and evolution in the rear surface scale lengths of a solid density target. Numerical modelling shows that when a fast electron beam is injected into a decreasing density gradient on the target rear side, a magnetic instability is seeded with an evolution which is strongly dependent on the density scale length. This is manifested in the acceleration of a filamented proton beam, where the degree of filamentation is also found to be dependent on the target rear scale length. Furthermore, the energy dependent spatial distribution of the accelerated proton beam is shown to provide information on the instability evolution on the picosecond timescale over which the protons are accelerated. Experimentally, this is investigated by using a controlled prepulse to introduce a target rear scale length, which is varied by altering the time delay with respect to the main pulse, and similar trends are measured. This work is particularly pertinent to applications using laser pulse durations of tens of picoseconds, or where a micron level density scale length is present on the rear of a solid target, such as proton-driven fast ignition, as the resultant instability may affect the uniformity of fuel energy coupling. (paper)

Achieving High-Energy-High-Power Density in a Flexible Quasi-Solid-State Sodium Ion Capacitor.

Science.gov (United States)

Li, Hongsen; Peng, Lele; Zhu, Yue; Zhang, Xiaogang; Yu, Guihua

2016-09-14

Simultaneous integration of high-energy output with high-power delivery is a major challenge for electrochemical energy storage systems, limiting dual fine attributes on a device. We introduce a quasi-solid-state sodium ion capacitor (NIC) based on a battery type urchin-like Na2Ti3O7 anode and a capacitor type peanut shell derived carbon cathode, using a sodium ion conducting gel polymer as electrolyte, achieving high-energy-high-power characteristics in solid state. Energy densities can reach 111.2 Wh kg(-1) at power density of 800 W kg(-1), and 33.2 Wh kg(-1) at power density of 11200 W kg(-1), which are among the best reported state-of-the-art NICs. The designed device also exhibits long-term cycling stability over 3000 cycles with capacity retention ∼86%. Furthermore, we demonstrate the assembly of a highly flexible quasi-solid-state NIC and it shows no obvious capacity loss under different bending conditions.

Pressure and surface tension of solid-liquid interface using Tara zona density functional theory

International Nuclear Information System (INIS)

Moradi, M.; Kavosh Tehrani, M.

2001-01-01

The weighted density functional theory proposed by Tara zona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this research we study a hard sphere fluid beside a hard wall. For this study the liquid is an inhomogeneous system. We use the definition of the direct correlation function as a second derivative of free energy with respect to the density. We use this definition and the definition of the weighting function, then we minimize the grand potential with respect to the density to get the Euler Lagrange equation and we obtain an integral equation to find the inhomogeneous density profile. The obtained density profile as a function of the distance from the wall, for different bulk density is pitted in three dimensions. We also calculate the pressure and compare it with the Carnahan-Starling results, and finally we obtained the surface tension at liquid-solid interface and compared it with the results of Monte Carlo simulation

Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory.

Science.gov (United States)

Delaney, Sean P; Witko, Ewelina M; Smith, Tiffany M; Korter, Timothy M

2012-08-02

Terahertz spectroscopy is sensitive to the interactions between molecules in the solid-state and recently has emerged as a new analytical tool for investigating polymorphism. Here, this technique is applied for the first time to the phenomenon of tautomeric polymorphism where the crystal structures of anthranilic acid (2-aminobenzoic acid) have been investigated. Three polymorphs of anthranilic acid (denoted Forms I, II and III) were studied using terahertz spectroscopy and the vibrational modes and relative polymorph stabilities analyzed using solid-state density functional theory calculations augmented with London dispersion force corrections. Form I consists of both neutral and zwitterionic molecules and was found to be the most stable polymorph as compared to Forms II and III (both containing only neutral molecules). The simulations suggest that a balance between steric interactions and electrostatic forces is responsible for the favoring of the mixed neutral/zwitterion solid over the all neutral or all zwitterion crystalline arrangements.

High Energy Density Solid State Li-ion Battery with Enhanced Safety, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — We propose to develop an all solid state Li-ion battery which is capable of delivering high energy density, combined with high safety over a wide operating...

Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem.

Science.gov (United States)

Zheng, Xiao; Yam, ChiYung; Wang, Fan; Chen, GuanHua

2011-08-28

We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.

High-density equation of state for helium and its application to bubbles in solids

International Nuclear Information System (INIS)

Wolfer, W.G.

1980-06-01

Helium, produced by transmutations or injected, causes bubble formation in solids at elevated temperatures. For small bubbles, the gas pressure required to balance the surface tension reaches values which far exceed those obtainable in experiments to measure the equation of state for helium gas. Therefore, empirical gas laws cannot be considered applicable to the fluid-like densities existing in small bubbles. In order to remedy this situation, an equation of state for helium was developed from the theory of the liquid state. At very low densities, this theoretically derived equation of state agrees with experimental results. For high densities, however, gas pressures are predicted which are significantly higher than those derived from the ideal gas law, but also significantly lower than pressures obtained with the van der Waals law. When applied to equilibrium bubbles in solids, it is found that the high-density equation of state leads to less bubble swelling than the van der Waals law, but more than the ideal gas law. Furthermore, the number of helium atoms in equilibrium bubbles is nearly independent of temperature

A new approach to determine the density of liquids and solids without measuring mass and volume: introducing the solidensimeter

Science.gov (United States)

Kiriktaş, Halit; Şahin, Mehmet; Eslek, Sinan; Kiriktaş, İrem

2018-05-01

This study aims to design a mechanism with which the density of any solid or liquid can be determined without measuring its mass and volume in order to help students comprehend the concept of density more easily. The solidensimeter comprises of two scaled and nested glass containers (graduated cylinder or beaker) and sufficient water. In this method, the density measurement was made using the Archimedes’ principle stating that an object fully submerged in a liquid displaces the same amount of liquid as its volume, while an object partially submerged or floating displaces the same amount of liquid as its mass. Using this method, the density of any solids or liquids can be determined using a simple mathematical ratio. At the end of the process a mechanism that helps students to comprehend the density topic more easily was designed. The system is easy-to-design, uses low-cost equipment and enables one to determine the density of any solid or liquid without measuring its mass and volume.

Ultra-High Density Holographic Memory Module with Solid-State Architecture

Science.gov (United States)

Markov, Vladimir B.

2000-01-01

NASA's terrestrial. space, and deep-space missions require technology that allows storing. retrieving, and processing a large volume of information. Holographic memory offers high-density data storage with parallel access and high throughput. Several methods exist for data multiplexing based on the fundamental principles of volume hologram selectivity. We recently demonstrated that a spatial (amplitude-phase) encoding of the reference wave (SERW) looks promising as a way to increase the storage density. The SERW hologram offers a method other than traditional methods of selectivity, such as spatial de-correlation between recorded and reconstruction fields, In this report we present the experimental results of the SERW-hologram memory module with solid-state architecture, which is of particular interest for space operations.

Degradation of Solid Oxide Electrolysis Cells Operated at High Current Densities

DEFF Research Database (Denmark)

Tao, Youkun; Ebbesen, Sune Dalgaard; Mogensen, Mogens Bjerg

2014-01-01

In this work the durability of solid oxide cells for co-electrolysis of steam and carbon dioxide (45 % H2O + 45 % CO2 + 10 % H2) at high current densities was investigated. The tested cells are Ni-YSZ electrode supported, with a YSZ electrolyte and either a LSM-YSZ or LSCF-CGO oxygen electrode....... A current density of -1.5 and -2.0 A/cm2 was applied to the cell and the gas conversion was 45 % and 60 %, respectively. The cells were operated for a period of up to 700 hours. The electrochemical analysis revealed significant performance degradation for the ohmic process, oxygen ion interfacial transfer...

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

Science.gov (United States)

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.

A Quasi-Solid-State Sodium-Ion Capacitor with High Energy Density.

Science.gov (United States)

Wang, Faxing; Wang, Xiaowei; Chang, Zheng; Wu, Xiongwei; Liu, Xiang; Fu, Lijun; Zhu, Yusong; Wu, Yuping; Huang, Wei

2015-11-18

A quasi-solid-state sodium-ion capacitor is demonstrated with nanoporous disordered carbon and macroporous graphene as the negative and positive electrodes, respectively, using a sodium-ion-conducting gel polymer electrolyte. It can operate at a cell voltage as high as 4.2 V with an energy density of record high 168 W h kg(-1). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A density distribution algorithm for bone incorporating local orthotropy, modal analysis and theories of cellular solids.

Science.gov (United States)

Impelluso, Thomas J

2003-06-01

An algorithm for bone remodeling is presented which allows for both a redistribution of density and a continuous change of principal material directions for the orthotropic material properties of bone. It employs a modal analysis to add density for growth and a local effective strain based analysis to redistribute density. General re-distribution functions are presented. The model utilizes theories of cellular solids to relate density and strength. The code predicts the same general density distributions and local orthotropy as observed in reality.

Imaginary time density-density correlations for two-dimensional electron gases at high density

Energy Technology Data Exchange (ETDEWEB)

Motta, M.; Galli, D. E. [Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Moroni, S. [IOM-CNR DEMOCRITOS National Simulation Center and SISSA, Via Bonomea 265, 34136 Trieste (Italy); Vitali, E. [Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795 (United States)

2015-10-28

We evaluate imaginary time density-density correlation functions for two-dimensional homogeneous electron gases of up to 42 particles in the continuum using the phaseless auxiliary field quantum Monte Carlo method. We use periodic boundary conditions and up to 300 plane waves as basis set elements. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products, and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems. We discuss the numerical stabilization techniques and the computational complexity of the methodology and we present the limitations related to the size of the systems on a quantitative basis. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of medium-sized homogeneous fermion systems.

Modelling of interactions between variable mass and density solid particles and swirling gas stream

International Nuclear Information System (INIS)

Wardach-Święcicka, I; Kardaś, D; Pozorski, J

2011-01-01

The aim of this work is to investigate the solid particles - gas interactions. For this purpose, numerical modelling was carried out by means of a commercial code for simulations of two-phase dispersed flows with the in-house models accounting for mass and density change of solid phase. In the studied case the particles are treated as spherical moving grains carried by a swirling stream of hot gases. Due to the heat and mass transfer between gas and solid phase, the particles are losing their mass and they are changing their volume. Numerical simulations were performed for turbulent regime, using two methods for turbulence modelling: RANS and LES.

Probing solids and liquids

International Nuclear Information System (INIS)

Martin, D.H.

1977-01-01

The wide application of scattering experiments in the study of the structures of solids and liquids is surveyed. Part 1 of the review (Martin. Contemp. Phys.;vol. 18, No. 1: Jan. 1977:pp. 81-98) showed how the angular distribution of a scattered beam of photons or neutrons is related by Fourier transform to the space and time-dependent distributions of electrons and nuclei in the scattering target. The use of x-rays and of neutrons in determining time-averaged density distributions was examined. In this part the time-dependent aspects of the distributions for solids and liquids, including helium, are discussed. The dynamical distributions of magnetism (or angular momentum) density are considered, and the present limitations and future possibilities of scattering experiments are examined. (U.K.)

The influence of solid particles density on parameters of multijet insert

Directory of Open Access Journals (Sweden)

Z. Niedźwiedzki

2008-10-01

Full Text Available Some dependences between solid particles density, chosen geometry and exploitation parameters of multijet inserts and developmentof laminar motion in continuous multijet sedimentation process, are presented in this paper. Results are obtained from the analysis of the multijet sedimentation model considering development of laminar motion of the suspension in the multijet insert conduit of the settling tank. The range of the researches covered, in particular, quantities necessary for designing inserts of multijet settling tanks finding application in purifying suspended solids in casting processes. Discussed problem has practical and cognitive meanings and is a base for more efficient designing multijet settling tanks inserts applied in iron and steel industry. Application of most efficient construction and exploitation parameters allows designing devices of lower dimensions what is especially advantageous in casting works.

Effect of coating density on oxidation resistance and Cr vaporization from solid oxide fuel cell interconnects

Science.gov (United States)

Talic, Belma; Falk-Windisch, Hannes; Venkatachalam, Vinothini; Hendriksen, Peter Vang; Wiik, Kjell; Lein, Hilde Lea

2017-06-01

Manganese cobalt spinel oxides are promising materials for protective coatings for solid oxide fuel cell (SOFC) interconnects. To achieve high density such coatings are often sintered in a two-step procedure, involving heat treatment first in reducing and then in oxidizing atmospheres. Sintering the coating inside the SOFC stack during heating would reduce production costs, but may result in a lower coating density. The importance of coating density is here assessed by characterization of the oxidation kinetics and Cr evaporation of Crofer 22 APU with MnCo1.7Fe0.3O4 spinel coatings of different density. The coating density is shown to have minor influence on the long-term oxidation behavior in air at 800 °C, evaluated over 5000 h. Sintering the spinel coating in air at 900 °C, equivalent to an in-situ heat treatment, leads to an 88% reduction of the Cr evaporation rate of Crofer 22 APU in air-3% H2O at 800 °C. The air sintered spinel coating is initially highly porous, however, densifies with time in interaction with the alloy. A two-step reduction and re-oxidation heat treatment results in a denser coating, which reduces Cr evaporation by 97%.

Unipolar time-differential charge sensing in non-dispersive amorphous solids

International Nuclear Information System (INIS)

Goldan, A. H.; Rowlands, J. A.; Tousignant, O.; Karim, K. S.

2013-01-01

The use of high resistivity amorphous solids as photodetectors, especially amorphous selenium, is currently of great interest because they are readily produced over large area at substantially lower cost compared to grown crystalline solids. However, amorphous solids have been ruled out as viable radiation detection media for high frame-rate applications, such as single-photon-counting imaging, because of low carrier mobilities, transit-time-limited photoresponse, and consequently, poor time resolution. To circumvent the problem of poor charge transport in amorphous solids, we propose unipolar time-differential charge sensing by establishing a strong near-field effect using an electrostatic shield within the material. For the first time, we have fabricated a true Frisch grid inside a solid-state detector by evaporating amorphous selenium over photolithographically prepared multi-well substrates. The fabricated devices are characterized with optical, x-ray, and gamma-ray impulse-like excitations. Results prove the proposed unipolar time-differential property and show that time resolution in non-dispersive amorphous solids can be improved substantially to reach the theoretical limit set by spatial spreading of the collected Gaussian carrier cloud.

Weighted-density functional approach for the solid-liquid interfaces in electrolytes

International Nuclear Information System (INIS)

Cherepanova, T.A.; Stekolnikov, A.V.

1991-09-01

A weighted-density functional method is proposed to describe the atomic structure of the crystal-melt interface in electrolytes based on a charged-hard-sphere model of salt. The contribution of long-range Coulomb interaction is taken into account in the field formulation: the electrostatic field potential is determined from the Poisson equation. The ion density profiles and crystalline order parameter at the crystal-melt interface in the 1:1 symmetric electrolytes are calculated. The structurization of liquid near the solid surface is described. The results are compared to those for the neutral hard sphere system. The impurity distributions of extremely small concentrations are calculated both for the neutral and charged hard sphere systems. (author). 24 refs, 6 figs, 1 tab

Global Population Density Grid Time Series Estimates

Data.gov (United States)

National Aeronautics and Space Administration — Global Population Density Grid Time Series Estimates provide a back-cast time series of population density grids based on the year 2000 population grid from SEDAC's...

Time-resolved shock compression of porous rutile: Wave dispersion in porous solids

Energy Technology Data Exchange (ETDEWEB)

Anderson, M.U.; Graham, R.A.; Holman, G.T.

1993-08-01

Rutile (TiO{sub 2}) samples at 60% of solid density have been shock-loaded from 0.21 to 6.1 GPa with sample thickness of 4 mm and studied with the PVDF piezoelectric polymer stress-rate gauge. The technique uses a copper capsule to contain the sample which has PVDF gauge packages in direct contact with front and rear surfaces. A precise measure is made of the compressive stress wave velocity through the sample, as well as the input and propagated shock stress. Initial density is known from sample preparation, and the amount of shock-compression is calculated from the measurement of shock velocity and input stress. Shock states and re-shock states are measured. Observed data are consistent with previously published high pressure data. It is observed that rutile has a ``crush strength`` near 6 GPa. Propagated stress-pulse rise times vary from 234 to 916 nsec. Propagated stress-pulse rise times of shock-compressed HMX, 2Al + Fe{sub 2}O{sub 3}, 3Ni + Al, and 5Ti + 3Si are presented.

Joint Mapping of Mobility and Trap Density in Colloidal Quantum Dot Solids

KAUST Repository

Stadler, Philipp

2013-07-23

Field-effect transistors have been widely used to study electronic transport and doping in colloidal quantum dot solids to great effect. However, the full power of these devices to elucidate the electronic structure of materials has yet to be harnessed. Here, we deploy nanodielectric field-effect transistors to map the energy landscape within the band gap of a colloidal quantum dot solid. We exploit the self-limiting nature of the potentiostatic anodization growth mode to produce the thinnest usable gate dielectric, subject to our voltage breakdown requirements defined by the Fermi sweep range of interest. Lead sulfide colloidal quantum dots are applied as the active region and are treated with varying solvents and ligands. In an analysis complementary to the mobility trends commonly extracted from field-effect transistor studies, we focus instead on the subthreshold regime and map out the density of trap states in these nanocrystal films. The findings point to the importance of comprehensively mapping the electronic band- and gap-structure within real quantum solids, and they suggest a new focus in investigating quantum dot solids with an aim toward improving optoelectronic device performance. © 2013 American Chemical Society.

Towards High Power Density Metal Supported Solid Oxide Fuel Cell for Mobile Applications

DEFF Research Database (Denmark)

Nielsen, Jimmi; Persson, Åsa H.; Muhl, Thuy Thanh

2018-01-01

For use of metal supported solid oxide fuel cell (MS-SOFC) in mobile applications it is important to reduce the thermal mass to enable fast startup, increase stack power density in terms of weight and volume and reduce costs. In the present study, we report on the effect of reducing the Technical...

Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels.

Science.gov (United States)

Cho, Eugene N; Zhitomirsky, David; Han, Grace G D; Liu, Yun; Grossman, Jeffrey C

2017-03-15

Solar thermal fuels (STFs) harvest and store solar energy in a closed cycle system through conformational change of molecules and can release the energy in the form of heat on demand. With the aim of developing tunable and optimized STFs for solid-state applications, we designed three azobenzene derivatives functionalized with bulky aromatic groups (phenyl, biphenyl, and tert-butyl phenyl groups). In contrast to pristine azobenzene, which crystallizes and makes nonuniform films, the bulky azobenzene derivatives formed uniform amorphous films that can be charged and discharged with light and heat for many cycles. Thermal stability of the films, a critical metric for thermally triggerable STFs, was greatly increased by the bulky functionalization (up to 180 °C), and we were able to achieve record high energy density of 135 J/g for solid-state STFs, over a 30% improvement compared to previous solid-state reports. Furthermore, the chargeability in the solid state was improved, up to 80% charged from 40% charged in previous solid-state reports. Our results point toward molecular engineering as an effective method to increase energy storage in STFs, improve chargeability, and improve the thermal stability of the thin film.

Biredox ionic liquids with solid-like redox density in the liquid state for high-energy supercapacitors.

Science.gov (United States)

Mourad, Eléonore; Coustan, Laura; Lannelongue, Pierre; Zigah, Dodzi; Mehdi, Ahmad; Vioux, André; Freunberger, Stefan A; Favier, Frédéric; Fontaine, Olivier

2017-04-01

Kinetics of electrochemical reactions are several orders of magnitude slower in solids than in liquids as a result of the much lower ion diffusivity. Yet, the solid state maximizes the density of redox species, which is at least two orders of magnitude lower in liquids because of solubility limitations. With regard to electrochemical energy storage devices, this leads to high-energy batteries with limited power and high-power supercapacitors with a well-known energy deficiency. For such devices the ideal system should endow the liquid state with a density of redox species close to the solid state. Here we report an approach based on biredox ionic liquids to achieve bulk-like redox density at liquid-like fast kinetics. The cation and anion of these biredox ionic liquids bear moieties that undergo very fast reversible redox reactions. As a first demonstration of their potential for high-capacity/high-rate charge storage, we used them in redox supercapacitors. These ionic liquids are able to decouple charge storage from an ion-accessible electrode surface, by storing significant charge in the pores of the electrodes, to minimize self-discharge and leakage current as a result of retaining the redox species in the pores, and to raise working voltage due to their wide electrochemical window.

Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids.

Science.gov (United States)

Del Rio, Beatriz G; Dieterich, Johannes M; Carter, Emily A

2017-08-08

The accuracy of local pseudopotentials (LPSs) is one of two major determinants of the fidelity of orbital-free density functional theory (OFDFT) simulations. We present a global optimization strategy for LPSs that enables OFDFT to reproduce solid and liquid properties obtained from Kohn-Sham DFT. Our optimization strategy can fit arbitrary properties from both solid and liquid phases, so the resulting globally optimized local pseudopotentials (goLPSs) can be used in solid and/or liquid-phase simulations depending on the fitting process. We show three test cases proving that we can (1) improve solid properties compared to our previous bulk-derived local pseudopotential generation scheme; (2) refine predicted liquid and solid properties by adding force matching data; and (3) generate a from-scratch, accurate goLPS from the local channel of a non-local pseudopotential. The proposed scheme therefore serves as a full and improved LPS construction protocol.

Dependence of high density nitrogen-vacancy center ensemble coherence on electron irradiation doses and annealing time

Science.gov (United States)

Zhang, C.; Yuan, H.; Zhang, N.; Xu, L. X.; Li, B.; Cheng, G. D.; Wang, Y.; Gui, Q.; Fang, J. C.

2017-12-01

Negatively charged nitrogen-vacancy (NV-) center ensembles in diamond have proved to have great potential for use in highly sensitive, small-package solid-state quantum sensors. One way to improve sensitivity is to produce a high-density NV- center ensemble on a large scale with a long coherence lifetime. In this work, the NV- center ensemble is prepared in type-Ib diamond using high energy electron irradiation and annealing, and the transverse relaxation time of the ensemble—T 2—was systematically investigated as a function of the irradiation electron dose and annealing time. Dynamical decoupling sequences were used to characterize T 2. To overcome the problem of low signal-to-noise ratio in T 2 measurement, a coupled strip lines waveguide was used to synchronously manipulate NV- centers along three directions to improve fluorescence signal contrast. Finally, NV- center ensembles with a high concentration of roughly 1015 mm-3 were manipulated within a ~10 µs coherence time. By applying a multi-coupled strip-lines waveguide to improve the effective volume of the diamond, a sub-femtotesla sensitivity for AC field magnetometry can be achieved. The long-coherence high-density large-scale NV- center ensemble in diamond means that types of room-temperature micro-sized solid-state quantum sensors with ultra-high sensitivity can be further developed in the near future.

Bone Mineral 31P and Matrix-Bound Water Densities Measured by Solid-State 1H and 31P MRI

Science.gov (United States)

Seifert, Alan C.; Li, Cheng; Rajapakse, Chamith S.; Bashoor- Zadeh, Mahdieh; Bhagat, Yusuf A.; Wright, Alexander C.; Zemel, Babette S.; Zavaliangos, Antonios; Wehrli, Felix W.

2014-01-01

Bone is a composite material consisting of mineral and hydrated collagen fractions. MRI of bone is challenging due to extremely short transverse relaxation times, but solid-state imaging sequences exist that can acquire the short-lived signal from bone tissue. Previous work to quantify bone density via MRI used powerful experimental scanners. This work seeks to establish the feasibility of MRI-based measurement on clinical scanners of bone mineral and collagen-bound water densities, the latter as a surrogate of matrix density, and to examine the associations of these parameters with porosity and donors’ age. Mineral and matrix-bound water images of reference phantoms and cortical bone from 16 human donors, ages 27-97 years, were acquired by zero-echo-time 31P and 1H MRI on whole body 7T and 3T scanners, respectively. Images were corrected for relaxation and RF inhomogeneity to obtain density maps. Cortical porosity was measured by micro-CT, and apparent mineral density by pQCT. MRI-derived densities were compared to x-ray-based measurements by least-squares regression. Mean bone mineral 31P density was 6.74±1.22 mol/L (corresponding to 1129±204 mg/cc mineral), and mean bound water 1H density was 31.3±4.2 mol/L (corresponding to 28.3±3.7 %v/v). Both 31P and bound water (BW) densities were correlated negatively with porosity (31P: R2 = 0.32, p bone mineralization ratio (expressed here as the ratio of 31P density to bound water density), which is proportional to true bone mineralization, was found to be uncorrelated with porosity, age, or pQCT density. This work establishes the feasibility of image-based quantification of bone mineral and bound water densities using clinical hardware. PMID:24846186

Solid density, low temperature plasma formation in a capillary discharge

International Nuclear Information System (INIS)

Kania, D.R.; Jones, L.A.; Maestas, M.D.; Shepherd, R.L.

1987-01-01

This work discusses the ability of the authors to produce solid density, low temperature plasmas in polyurethane capillary discharges. The initial capillary diameter is 20 μm. The plasma is produced by discharging a one Ohm parallel plate waterline and Marx generator system through the capillary. A peak current of 340 kA in 300 ns heats the inner wall of the capillary, and the plasma expands into the surrounding material. The authors studied the evolution of the discharge using current and voltage probes, axial and radial streak photography, axial x-ray diode array and schlieren photography, and have estimated the peak temperature of the discharge to be approximately 10 eV and the density to be near 10/sup 23/cm/sup -3/. This indicates that the plasma may approach the strongly coupled regime. They discuss their interpretation of the data and compare their results with theoretical models of the plasma dynamics

Picosecond Streaked K-Shell Spectroscopy of Near Solid-Density Aluminum Plasmas

Science.gov (United States)

Stillman, C. R.; Nilson, P. M.; Ivancic, S. T.; Mileham, C.; Froula, D. H.; Golovkin, I. E.

2016-10-01

The thermal x-ray emission from rapidly heated solid targets containing a buried-aluminum layer was measured. The targets were driven by high-contrast 1 ω or 2 ω laser pulses at focused intensities up to 1 ×1019W/Wcm2 cm2 . A streaked x-ray spectrometer recorded the Al Heα and lithium-like satellite lines with 2-ps temporal resolution and moderate resolving power (E/E ΔE 700). Time-integrated measurements over the same spectral range were used to correct the streaked data for variations in photocathode sensitivity. Line widths and intensity ratios from the streaked data were interpreted using a collisional radiative atomic model to provide the average plasma conditions in the buried layer as a function of time. It was observed that the resonance line tends toward lower photon energies at high electron densities. The measured shifts will be compared to predicted shifts from Stark-operator calculations at the inferred plasma conditions. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944, the office of Fusion Energy Sciences Award Number DE-SC0012317, and the Stewardship Science Graduate Fellowship Grant Number DE-NA0002135.

Learning about the energy density of liquid and semi-solid foods.

Science.gov (United States)

Hogenkamp, P S; Stafleu, A; Mars, M; de Graaf, C

2012-09-01

People learn about a food's satiating capacity by exposure and consequently adjust their energy intake. To investigate the effect of energy density and texture on subsequent energy intake adjustments during repeated consumption. In a randomized crossover design, participants (n=27, age: 21±2.4 years, body mass index: 22.2±1.6 kg m(-2)) repeatedly consumed highly novel foods that were either low-energy-dense (LE: 30 kcal per 100 g) or high-energy-dense (HE: 130 kcal per 100 g), and either liquid or semi-solid, resulting in four product conditions. In each condition, a fixed portion of test food was consumed nine times as an obligatory part of breakfast, lunch and dinner on 3 consecutive days. All meals continued with an ad libitum buffet; food items for evening consumption were provided and the intake (kcal per day) was measured. Buffet intake depended on energy density and day of consumption of the test foods (day*energy interaction: P=0.02); daily buffet intake increased from day 1 (1745±577 kcal) to day 3 (1979±567 kcal) in the LE conditions; intake did not change in the HE conditions (day 1: 1523±429 kcal, day 3: 1589±424 kcal). Food texture did not affect the intake (P=0.56). Intake did depend on energy density of the test foods; participants increased their buffet intake over days in response to learning about the satiating capacity of the LE foods, but did not change buffet intake over days when repeatedly consuming a HE food as part of their meal. The adjustments in intake were made irrespective of the food texture.

High-Density Near-Field Readout Using Solid Immersion Lens Made of KTaO3 Monocrystal

Science.gov (United States)

Shinoda, Masataka; Saito, Kimihiro; Kondo, Takao; Furuki, Motohiro; Takeda, Minoru; Nakaoki, Ariyoshi; Sasaura, Masahiro; Fujiura, Kazuo

2006-02-01

We developed solid immersion lenses made of a KTaO3 monocrystal. The refractive index of KTaO3 is 2.382 at a wavelength of 405 nm. Using KTaO3 as the raw material of a solid immersion lens, we could design an effective numerical aperture of 2.20. We observed an eye pattern of a 150 GB capacity with a 130 nm track pitch and a 47.6 nm bit length. The areal density is 104.3 Gbit/in.2.

Measurements of continuum lowering in solid-density plasmas created from elements and compounds

Czech Academy of Sciences Publication Activity Database

Ciricosta, O.; Vinko, S.M.; Barbrel, B.; Rackstraw, D.S.; Preston, T.R.; Burian, Tomáš; Chalupský, Jaromír; Cho, B.I.; Chung, H.-K.; Dakovski, G.L.; Engelhorn, K.; Hájková, Věra; Heimann, P.; Holmes, M.; Juha, Libor; Krzywinski, J.; Lee, R. W.; Toleikis, S.; Turner, J.J.; Zastrau, U.; Wark, J.

2016-01-01

Roč. 7, May (2016), 1-7, č. článku 11713. ISSN 2041-1723 R&D Projects: GA ČR GAP205/11/0571 Institutional support: RVO:68378271 Keywords : solid-density plasmas * X-ray * Linac Coherent Light Source * ionization potential depression (IPD) * equation of state (EOS) Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 12.124, year: 2016

Effect of argon implantation on solid-state dewetting: control of size and surface density of silicon nanocrystals.

Science.gov (United States)

Almadori, Y; Borowik, Ł; Chevalier, N; Barbé, J-C

2017-01-27

Thermally induced solid-state dewetting of ultra-thin films on insulators is a process of prime interest, since it is capable of easily forming nanocrystals. If no particular treatment is performed to the film prior to the solid-state dewetting, it is already known that the size, the shape and the density of nanocrystals is governed by the initial film thickness. In this paper, we report a novel approach to control the size and the surface density of silicon nanocrystals based on an argon-implantation preliminary surface treatment. Using 7.5 nm thin layers of silicon, we show that increasing the implantation dose tends to form smaller silicon nanocrystals with diameter and height lower than 50 nm and 30 nm, respectively. Concomitantly, the surface density is increased by a factor greater than 20, going from 5 μm -2 to values over 100 μm -2 .

On the radiometric measurement of the density distribution occuring at the horizontal hydraulic transport of solid matter

International Nuclear Information System (INIS)

Goedde, E.; Weber, M.

1977-01-01

In order to estimate the phenomena of the flow in horizontal hydraulic transport of solid matter, measuring the density structure along the vertical pipe diameter is of vital interest for basic investigations. The measurement technology in mixed flows of solid matter and water is very difficult and therefore only few publications on characteristic flow profiles in horizontal pipes are known. In a research programme advanced by the Deutsche Forschungsgemeinschaft investigations were made on the possibility to measure the density profile by means of plain measuring equipment based upon radiometrics. In this paper a combination of a nuclear radiometric polar and parallel scanning method is shown to be suitable for this kind of measurements. (orig.) [de

Thermal expansion and density measurements of molten and solid materials at high temperatures by the gamma attenuation technique

International Nuclear Information System (INIS)

Drotning, W.D.

1979-05-01

An apparatus is described for the measurement of the density and thermal expansion of molten materials to 3200 0 K using the gamma attenuation technique. The precision of the experimental technique was analytically examined for both absolute and relative density determinations. Three analytical expressions used to reduce data for liquid density determinations were evaluated for their precision. Each allows use of a different set of input data parameters, which can be chosen based on experimental considerations. Using experimentally reasonable values for the precision of the parameters yields a similar resultant density precision from the three methods, on the order of 0.2%. The analytical method for measurements of the linear thermal expansion of solids by the gamma method is also described. To demonstrate the use of the technique on reasonably well-characterized systems, data are presented for (1) the density and thermal expansion of molten tin, lead, and aluminum to 1300 0 K, (2) the thermal expansion of solid aluminum to the melting point, and (3) the thermal expansion of a low melting point glass through the transition temperature and melting region. The data agree very well with published results using other methods where such published data exist

Covariant Density Functionals: time-odd channel investigated

International Nuclear Information System (INIS)

Afanasjev, A. V.; Abusara, H.

2009-01-01

The description of exotic nuclear systems and phenomena requires a detailed understanding of all channels of density functional theories. The role of time-odd mean fields, their evidence in experiment, and an accurate description of these fields are subject of current interest. Recent studies advanced the understanding of these fields in energy density functional theories based on the Skyrme force [1,2]. Time-odd mean fields are related to nuclear magnetism in covariant density functional (CDF) theories [3]. They arise from space-like components of vector mesons and Lorentz invariance requires that their coupling strengths are identical to that of time-like components. There were only few limited efforts to understand the role of time-odd mean fields in covariant density functional theory [4,5]. For example, the microscopic role of nuclear magnetism and its impact on rotational properties of nuclei has been studied in Ref. [5]. It is known that time-odd mean fields modify the angular momentum content of the single-particle orbitals and thus the moments of inertia, effective alignments, alignment gains at the band crossings and other physical observables. We aim on more detailed and systematic understanding of the role of time-odd mean fields in covariant density functional theory. This investigation covers both rotating and non-rotating systems. It is shown that contrary to the Skyrme energy density functionals time-odd mean fields of CDF theory always provide additional binding in the systems with broken time-reversal symmetry (rotating nuclei, odd mass nuclei). This additional binding increases with spin and has its maximum exactly at the terminating state [6], where it can reach several MeV. The impact of time-odd mean fields on the properties of rotating systems has been studied in a systematic way (as a function of particle number and deformation) across the nuclear chart [7]. In addition, this contribution extends these studies to non-rotating systems such as

Controlled functionalization of carbonaceous fibers for asymmetric solid-state micro-supercapacitors with high volumetric energy density.

Science.gov (United States)

Yu, Dingshan; Goh, Kunli; Zhang, Qiang; Wei, Li; Wang, Hong; Jiang, Wenchao; Chen, Yuan

2014-10-22

A 1.8 V asymmetric solid-state flexible micro-supercapacitor is designed with one MnO2 -coated reduced graphene oxide/single-walled carbon nanotube (rGO/SWCNT) composite fiber as positive electrode and one nitrogen-doped rGO/SWCNT fiber as negative electrode, which demonstrates ultrahigh volumetric energy density, comparable to some thin-film lithium batteries, along with high power density, long cycle life, and good flexibility. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biodegradation of low-density polyethylene (LDPE) by isolated fungi in solid waste medium

International Nuclear Information System (INIS)

Zahra, Sahebnazar; Abbas, Shojaosadati Seyed; Mahsa, Mohammad-Taheri; Mohsen, Nosrati

2010-01-01

In this study, biodegradation of low-density polyethylene (LDPE) by isolated landfill-source fungi was evaluated in a controlled solid waste medium. The fungi, including Aspergillus fumigatus, Aspergillus terreus and Fusarium solani, were isolated from samples taken from an aerobic aged municipal landfill in Tehran. These fungi could degrade LDPE via the formation of a biofilm in a submerged medium. In the sterilized solid waste medium, LPDE films were buried for 100 days in a 1-L flask containing 400 g sterile solid waste raw materials at 28 deg. C. Each fungus was added to a separate flask. The moisture content and pH of the media were maintained at the optimal levels for each fungus. Photo-oxidation (25 days under UV-irradiation) was used as a pretreatment of the LDPE samples. The progress of the process was monitored by measurement of total organic carbon (TOC), pH, temperature and moisture. The results obtained from monitoring the process using isolated fungi under sterile conditions indicate that these fungi are able to grow in solid waste medium. The results of FT-IR and SEM analyses show that A. terreus and A. fumigatus, despite the availability of other organic carbon of materials, could utilize LDPE as carbon source. While there has been much research in the field of LDPE biodegradation under solid conditions, this is the first report of degradation of LDPE by A. fumigatus.

Microstructure characterisation of solid oxide electrolysis cells operated at high current density

DEFF Research Database (Denmark)

Bowen, Jacob R.; Bentzen, Janet Jonna; Chen, Ming

degradation of cell components in relation to the loss of electrochemical performance specific to the mode of operation. Thus descriptive microstructure characterization methods are required in combination with electrochemical characterization methods to decipher degradation mechanisms. In the present work......High temperature solid oxide cells can be operated either as fuel cells or electrolysis cells for efficient power generation or production of hydrogen from steam or synthesis gas (H2 + CO) from steam and CO2 respectively. When operated under harsh conditions, they often exhibit microstructural...... quantified using the mean linear intercept method as a function of current density and correlated to increases in serial resistance. The above structural changes are then compared in terms of electrode degradation observed during the co-electrolysis of steam and CO2 at current densities up to -1.5 A cm-2...

Sub-micrometer-thick all-solid-state supercapacitors with high power and energy densities

Energy Technology Data Exchange (ETDEWEB)

Meng, Fanhui [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, and School of Chemistry and Chemical Engineering, Shandong University, Jinan 250061 (China); Ding, Yi [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, and School of Chemistry and Chemical Engineering, Shandong University, Jinan 250061 (China); Shandong Applied Research Center for Gold Technology (Au-SDARC), Yantai 264005 (China)

2011-09-15

A sub-micrometer-thick, flexible, all-solid-state supercapacitor is fabricated. Through simultaneous realization of high dispersity of pseudocapacitance materials and quick electrode response, the hybrid nanostructures show enhanced volumetric capacitance and excellent stability, as well as very high power and energy densities. This suggests their potential as next-generation, high-performance energy conversion and storage devices for wearable electronics. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Nonparametric volatility density estimation for discrete time models

NARCIS (Netherlands)

Es, van Bert; Spreij, P.J.C.; Zanten, van J.H.

2005-01-01

We consider discrete time models for asset prices with a stationary volatility process. We aim at estimating the multivariate density of this process at a set of consecutive time instants. A Fourier-type deconvolution kernel density estimator based on the logarithm of the squared process is proposed

Density measurements of microsecond-conduction-time POS plasmas

International Nuclear Information System (INIS)

Hinshelwood, D.; Goodrich, P.J.; Weber, B.V.; Commisso, R.J.; Grossmann, J.M.; Kellogg, J.C.

1993-01-01

Measurements of the electron density in a coaxial microsecond conduction time plasma opening switch during switch operation are described. Current conduction is observed to cause a radial redistribution of the switch plasma. A local reduction in axial line density of more than an order of magnitude occurs by the time opening begins. This reduction, and the scaling of conduction current with plasma density, indicate that current conduction in this experiment is limited by hydrodynamic effects. It is hypothesized that the density reduction allows the switch to open by an erosion mechanism. Initial numerical modeling efforts have reproduced the principal observed results. A model that predicts accurately the conduction current is presented

Decay of autoionizing states in time-dependent density functional and reduced density matrix functional theory

Energy Technology Data Exchange (ETDEWEB)

Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

2013-07-01

Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.

Space-time complexity in solid state models

International Nuclear Information System (INIS)

Bishop, A.R.

1985-01-01

In this Workshop on symmetry-breaking it is appropriate to include the evolving fields of nonlinear-nonequilibrium systems in which transitions to and between various degrees of ''complexity'' (including ''chaos'') occur in time or space or both. These notions naturally bring together phenomena of pattern formation and chaos and therefore have ramifications for a huge array of natural sciences - astrophysics, plasmas and lasers, hydrodynamics, field theory, materials and solid state theory, optics and electronics, biology, pattern recognition and evolution, etc. Our particular concerns here are with examples from solid state and condensed matter

Effect of initial bulk density on high-solids anaerobic digestion of MSW: General mechanism.

Science.gov (United States)

Caicedo, Luis M; Wang, Hongtao; Lu, Wenjing; De Clercq, Djavan; Liu, Yanjun; Xu, Sai; Ni, Zhe

2017-06-01

Initial bulk density (IBD) is an important variable in anaerobic digestion since it defines and optimizes the treatment capacity of a system. This study reveals the mechanism on how IBD might affect anaerobic digestion of waste. Four different IBD values: D 1 (500-700kgm -3 ), D 2 (900-1000kgm -3 ), D 3 (1100-1200kgm -3 ) and D 4 (1200-1400kgm -3 ) were set and tested over a period of 90days in simulated landfill reactors. The main variables affected by the IBD are the methane generation, saturation degree, extraction of organic matter, and the total population of methanogens. The study identified that IBD >1000kgm -3 may have significant effect on methane generation, either prolonging the lag time or completely inhibiting the process. This study provides a new understanding of the anaerobic digestion process in saturated high-solids systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

Asymmetric battery having a semi-solid cathode and high energy density anode

Energy Technology Data Exchange (ETDEWEB)

Tan, Taison; Chiang, Yet-Ming; Ota, Naoki; Wilder, Throop; Duduta, Mihai

2017-11-28

Embodiments described herein relate generally to devices, systems and methods of producing high energy density batteries having a semi-solid cathode that is thicker than the anode. An electrochemical cell can include a positive electrode current collector, a negative electrode current collector and an ion-permeable membrane disposed between the positive electrode current collector and the negative electrode current collector. The ion-permeable membrane is spaced a first distance from the positive electrode current collector and at least partially defines a positive electroactive zone. The ion-permeable membrane is spaced a second distance from the negative electrode current collector and at least partially defines a negative electroactive zone. The second distance is less than the first distance. A semi-solid cathode that includes a suspension of an active material and a conductive material in a non-aqueous liquid electrolyte is disposed in the positive electroactive zone, and an anode is disposed in the negative electroactive zone.

Plasma density control in real-time on the COMPASS tokamak

Energy Technology Data Exchange (ETDEWEB)

Janky, F., E-mail: filip.janky.work@gmail.com [Institute of Plasma Physics AS CR, v.v.i., Association EURATOM/IPP.CR, Za Slovankou 3, 182 00 Praha 8 (Czech Republic); Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00 Praha 8 (Czech Republic); Hron, M. [Institute of Plasma Physics AS CR, v.v.i., Association EURATOM/IPP.CR, Za Slovankou 3, 182 00 Praha 8 (Czech Republic); Havlicek, J. [Institute of Plasma Physics AS CR, v.v.i., Association EURATOM/IPP.CR, Za Slovankou 3, 182 00 Praha 8 (Czech Republic); Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00 Praha 8 (Czech Republic); Varavin, M.; Zacek, F.; Seidl, J.; Panek, R. [Institute of Plasma Physics AS CR, v.v.i., Association EURATOM/IPP.CR, Za Slovankou 3, 182 00 Praha 8 (Czech Republic)

2015-10-15

Highlights: • We fitted length of the chord of the interferometry crossing plasma in the different plasma scenarios. • We add correction to the actual length of the chord of the interferometry according to plasma shape and position in real-time code. • We used this correction to control plasma density in real-time. - Abstract: The electron density on COMPASS is measured using 2 mm microwave interferometer. Interferometer signal is used as an input for the feedback control loop, running under the MARTe real-time framework. Two different threads are used to calculate (fast 50 μs thread) and to control (slow 500 μs thread) the electron density. The interferometer measures a line averaged density along a measurement chord. This paper describes an approach to control the line-averaged electron density in a real-time loop, using a correction to the real plasma shape, the plasma position, and non-linear effects of the electron density measurement at high densities. Newly developed real-time electron density control give COMPASS the chance to control the electron density more accurately which is essential for parametric scans for diagnosticians, for physics experiments and also for achieving plasma scenarios with H-mode.

Charge density waves in solids

CERN Document Server

Gor'kov, LP

2012-01-01

The latest addition to this series covers a field which is commonly referred to as charge density wave dynamics.The most thoroughly investigated materials are inorganic linear chain compounds with highly anisotropic electronic properties. The volume opens with an examination of their structural properties and the essential features which allow charge density waves to develop.The behaviour of the charge density waves, where interesting phenomena are observed, is treated both from a theoretical and an experimental standpoint. The role of impurities in statics and dynamics is considered and an

Multicomponent density-functional theory for time-dependent systems

NARCIS (Netherlands)

Butriy, O.; Ebadi, H.; de Boeij, P. L.; van Leeuwen, R.; Gross, E. K. U.

2007-01-01

We derive the basic formalism of density functional theory for time-dependent electron-nuclear systems. The basic variables of this theory are the electron density in body-fixed frame coordinates and the diagonal of the nuclear N-body density matrix. The body-fixed frame transformation is carried

THE EFFECTS OF EXPERIMENTAL CONDITIONS ON THE REFRACTIVE INDEX AND DENSITY OF LOW-TEMPERATURE ICES: SOLID CARBON DIOXIDE

Energy Technology Data Exchange (ETDEWEB)

Loeffler, M. J.; Moore, M. H.; Gerakines, P. A. [Astrochemistry Laboratory, Code 691, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2016-08-20

We present the first study on the effects of the deposition technique on the measurements of the visible refractive index and the density of a low-temperature ice using solid carbon dioxide (CO{sub 2}) at 14–70 K as an example. While our measurements generally agree with previous studies that show a dependence of index and density on temperature below 50 K, we also find that the measured values depend on the method used to create each sample. Below 50 K, we find that the refractive index varied by as much as 4% and the density by as much as 16% at a single temperature depending on the deposition method. We also show that the Lorentz–Lorenz approximation is valid for solid CO{sub 2} across the full 14–70 K temperature range, regardless of the deposition method used. Since the refractive index and density are important in calculations of optical constants and infrared (IR) band strengths of materials, our results suggest that the deposition method must be considered in cases where n {sub vis} and ρ are not measured in the same experimental setup where the IR spectral measurements are made.

The Effects of Experimental Conditions on the Refractive Index and Density of Low-Temperature Ices: Solid Carbon Dioxide

Science.gov (United States)

Loeffler, M. J.; Moore, M. H.; Gerakines, P. A.

2016-01-01

We present the first study on the effects of the deposition technique on the measurements of the visible refractive index and the density of a low-temperature ice using solid carbon dioxide (CO2) at 14-70 K as an example. While our measurements generally agree with previous studies that show a dependence of index and density on temperature below 50 K, we also find that the measured values depend on the method used to create each sample. Below 50 K, we find that the refractive index varied by as much as 4% and the density by as much as 16% at a single temperature depending on the deposition method. We also show that the Lorentz-Lorenz approximation is valid for solid CO2 across the full 14-70 K temperature range, regardless of the deposition method used. Since the refractive index and density are important in calculations of optical constants and infrared (IR) band strengths of materials, our results suggest that the deposition method must be considered in cases where nvis and ? are not measured in the same experimental setup where the IR spectral measurements are made.

Optimization of anisotropic photonic density of states for Raman cooling of solids

Science.gov (United States)

Chen, Yin-Chung; Ghosh, Indronil; Schleife, André; Carney, P. Scott; Bahl, Gaurav

2018-04-01

Optical refrigeration of solids holds tremendous promise for applications in thermal management. It can be achieved through multiple mechanisms including inelastic anti-Stokes Brillouin and Raman scattering. However, engineering of these mechanisms remains relatively unexplored. The major challenge lies in the natural unfavorable imbalance in transition rates for Stokes and anti-Stokes scattering. We consider the influence of anisotropic photonic density of states on Raman scattering and derive expressions for cooling in such photonically anisotropic systems. We demonstrate optimization of the Raman cooling figure of merit considering all possible orientations for the material crystal and two example photonic crystals. We find that the anisotropic description of the photonic density of states and the optimization process is necessary to obtain the best Raman cooling efficiency for systems having lower symmetry. This general result applies to a wide array of other laser cooling methods in the presence of anisotropy.

A New Approach to Determine the Density of Liquids and Solids without Measuring Mass and Volume: Introducing the "Solidensimeter"

Science.gov (United States)

Kiriktas, Halit; Sahin, Mehmet; Eslek, Sinan; Kiriktas, Irem

2018-01-01

This study aims to design a mechanism with which the density of any solid or liquid can be determined without measuring its mass and volume in order to help students comprehend the concept of density more easily. The "solidensimeter" comprises of two scaled and nested glass containers (graduated cylinder or beaker) and sufficient water.…

Watching excitons move: the time-dependent transition density matrix

Science.gov (United States)

Ullrich, Carsten

2012-02-01

Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.

Computational complexity of time-dependent density functional theory

International Nuclear Information System (INIS)

Whitfield, J D; Yung, M-H; Tempel, D G; Aspuru-Guzik, A; Boixo, S

2014-01-01

Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence of a fictitious non-interacting system (known as the Kohn–Sham system), which can reproduce the one-electron reduced probability density of the actual system. We build upon these works and show that on the interior of the domain of existence, the Kohn–Sham system can be efficiently obtained given the time-dependent density. We introduce a V-representability parameter which diverges at the boundary of the existence domain and serves to quantify the numerical difficulty of constructing the Kohn-Sham potential. For bounded values of V-representability, we present a polynomial time quantum algorithm to generate the time-dependent Kohn–Sham potential with controllable error bounds. (paper)

Electron density profile in multilayer systems

International Nuclear Information System (INIS)

Toekesi, K.

2004-01-01

Complete text of publication follows. Electron energy loss spectroscopy (EELS) has been used extensively to study the multilayer systems, where the thickness of layers are in the nanometer range. These studies has received considerable attention because of its technological interest, for example in the nanotechnology. On the most fundamental level, its importance is derived from the basic physics that is involved. One key quantities of interest is the response of a many-body system to an external perturbation: How act and how modify the interface between the solid-solid or solid-vacuum the excitations in the solid and in the vicinity of the interfaces. In this work, as a starting point of such investigations we calculated the electron density profile for multilayer systems. Our approach employs the time-dependent density functional theory (TDDFT), that is, the solution of a time-dependent Schroedinger equation in which the potential and forces are determined selfconsistently from the dynamics governed by the Schroedinger equation. We treat the problem in TDDFT at the level of the local-density approximation (LDA). Later, the comparison of experimentally obtained loss functions and the theory, based on our TDDFT calculations can provide deeper understanding of surface physics. We performed the calculations for half-infinite samples characterized by r s =1.642 and r s =1.997. We also performed the calculations for double layer systems. The substrate was characterized by r s =1.997 and the coverage by r s =1.642. Fig. 1. shows the obtained electron density profile in LDA approximation. Because of the sharp cutoff of electronic wave vectors at the Fermi surface, the densities in the interior exhibit slowly decaying Friedel oscillations. To highlight the Friedel oscillation we enlarged the electron density profile in Fig. 1a. and Fig. 1b. The work was supported by the Hungarian Scientific Research Found: OTKA No. T038016, the grant 'Bolyai' from the Hungarian Academy of

Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

Energy Technology Data Exchange (ETDEWEB)

Yanagisawa, Susumu, E-mail: shou@sci.u-ryukyu.ac.jp [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan); Okuma, Koji; Inaoka, Takeshi [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan); Hamada, Ikutaro, E-mail: Hamada.Ikutaro@nims.go.jp [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba 305-0044 (Japan)

2015-10-01

Highlights: • Review of theoretical studies on organic solids with the density-functional methods. • van der Waals (vdW)-inclusive methods to predict cohesive properties of oligoacenes. • A variant of the vdW density functional describes the structures accurately. • The molecular configuration and conformation crucially affects the band dispersion. - Abstract: We review recent studies on electronic properties of the organic solids with the first-principles electronic structure methods, with the emphasis on the roles of the intermolecular van der Waals (vdW) interaction in electronic properties of the organic semiconductors. After a brief summary of the recent vdW inclusive first-principle theoretical methods, we discuss their performance in predicting cohesive properties of oligoacene crystals as examples of organic crystals. We show that a variant of the van der Waals density functional describes structure and energetics of organic crystals accurately. In addition, we review our recent study on the zinc phthalocyanine crystal and discuss the importance of the intermolecular distance and orientational angle in the band dispersion. Finally, we draw some general conclusions and the future perspectives.

Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

International Nuclear Information System (INIS)

Yanagisawa, Susumu; Okuma, Koji; Inaoka, Takeshi; Hamada, Ikutaro

2015-01-01

Highlights: • Review of theoretical studies on organic solids with the density-functional methods. • van der Waals (vdW)-inclusive methods to predict cohesive properties of oligoacenes. • A variant of the vdW density functional describes the structures accurately. • The molecular configuration and conformation crucially affects the band dispersion. - Abstract: We review recent studies on electronic properties of the organic solids with the first-principles electronic structure methods, with the emphasis on the roles of the intermolecular van der Waals (vdW) interaction in electronic properties of the organic semiconductors. After a brief summary of the recent vdW inclusive first-principle theoretical methods, we discuss their performance in predicting cohesive properties of oligoacene crystals as examples of organic crystals. We show that a variant of the van der Waals density functional describes structure and energetics of organic crystals accurately. In addition, we review our recent study on the zinc phthalocyanine crystal and discuss the importance of the intermolecular distance and orientational angle in the band dispersion. Finally, we draw some general conclusions and the future perspectives.

Applications of high order harmonic radiation to UVX-solids interaction: high excitation density in electronic relaxation dynamics and surface damaging

International Nuclear Information System (INIS)

De Grazia, M.

2007-12-01

The new sources of radiation in the extreme-UV (X-UV: 10-100 nm), which deliver spatially coherent, ultra-short and intense pulses, allow studying high flux processes and ultra-fast dynamics in various domains. The thesis work presents two applications of the high-order laser harmonics (HH) to solid state physics. In Part I, we describe the optimization of the harmonic for studies of X-UV/solids interaction. In Part II, we investigate effects of high excitation density in the dynamics of electron relaxation in dielectric scintillator crystals - tungstates and fluorides, using time-resolved luminescence spectroscopy. Quenching of luminescence at short time gives evidence of the competition between radiative and non-radiative recombination of self-trapped excitons (STE). The non-radiative channel is identified to mutual interaction of STE at high excitation density. In Part III, we study the X-UV induced damage mechanism in various materials, either conductor (amorphous carbon) or insulators (organic polymers, e.g., PMMA). In PMMA-Plexiglas, in the desorption regime (0.2 mJ/cm 2 , i.e., below damage threshold), the surface modifications reflect X-UV induced photochemical processes that are tentatively identified, as a function of dose: at low dose, polymer chain scission followed by the blow-up of the volatile, low-molecular fragments leads to crater formation; at high dose, cross-linking in the near-surface layer of remaining material leads to surface hardening. These promising results have great perspectives considering the performances already attained and planned in the next future in the development of the harmonic sources. (author)

High-Density Near-Field Readout over 50 GB Capacity Using Solid Immersion Lens with High Refractive Index

Science.gov (United States)

Shinoda, Masataka; Saito, Kimihiro; Kondo, Takao; Ishimoto, Tsutomu; Nakaoki, Ariyoshi

2003-02-01

We have investigated high-density near-field readout using a solid immersion lens with a high refractive index. By using a glass material with a high refractive index of 2.08, we developed an optical pick-up with the effective numerical aperture of 1.8. We could observe a clear eye pattern for a 50 GB capacity disc in 120 mm diameter. We confirmed that the near-field readout system is promising method of realizing a high-density optical disc system.

Thomson scattering from near-solid density plasmas using soft x-ray free electron lasers

Energy Technology Data Exchange (ETDEWEB)

Holl, A; Bornath, T; Cao, L; Doppner, T; Dusterer, S; Forster, E; Fortmann, C; Glenzer, S H; Gregori, G; Laarmann, T; Meiwes-Broer, K H; Przystawik, A; Radcliffe, P; Redmer, R; Reinholz, H; Ropke, G; Thiele, R; Tiggesbaumker, J; Toleikis, S; Truong, N X; Tschentscher, T; Uschmann, I; Zastrau, U

2006-11-21

We propose a collective Thomson scattering experiment at the VUV free electron laser facility at DESY (FLASH) which aims to diagnose warm dense matter at near-solid density. The plasma region of interest marks the transition from an ideal plasma to a correlated and degenerate many-particle system and is of current interest, e.g. in ICF experiments or laboratory astrophysics. Plasma diagnostic of such plasmas is a longstanding issue. The collective electron plasma mode (plasmon) is revealed in a pump-probe scattering experiment using the high-brilliant radiation to probe the plasma. The distinctive scattering features allow to infer basic plasma properties. For plasmas in thermal equilibrium the electron density and temperature is determined from scattering off the plasmon mode.

Solid hydrogen and deuterium. II. Pressure and compressibility calculated by a lowest-order constrained-variation method

International Nuclear Information System (INIS)

Pettersen, G.; Ostgaard, E.

1988-01-01

The pressure and the compressibility of solid H 2 and D 2 are obtained from ground-state energies calculated by means of a modified variational lowest order constrained-variation (LOCV) method. Both fcc and hcp structures are considered, but results are given for the fcc structure only. The pressure and the compressibility are calculated or estimated from the dependence of the ground-state energy on density or molar volume, generally in a density region of 0.65σ -3 to 1.3σ -3 , corresponding to a molar volume of 0.65σ -3 to 1.3σ -3 , corresponding to a molar volume of 12-24 cm 3 mole, where σ = 2.958 angstrom, and the calculations are done for five different two-body potentials. Theoretical results for the pressure are 340-460 atm for solid H 2 at a particle density of 0.82σ -3 or a molar volume of 19 cm 3 /mole, and 370-490 atm for solid 4 He at a particle density of 0.92σ -3 or a molar volume of 17 cm 3 /mole. The corresponding experimental results are 650 and 700 atm, respectively. Theoretical results for the compressibility are 210 times 10 -6 to 260 times 10 -6 atm -1 for solid H 2 at a particle density of 0.82σ -3 or a molar volume of 19 cm 3 /mole, and 150 times 10 -6 to 180 times 10 -6 atm -1 for solid D 2 at a particle density of 0.92σ -3 or a molar volume of 17 cm 3 mole. The corresponding experimental results are 180 times 10 -6 and 140 times 10 -6 atm -1 , respectively. The agreement with experimental results is better for higher densities

Real-Time Laser Ultrasound Tomography for Profilometry of Solids

Science.gov (United States)

Zarubin, V. P.; Bychkov, A. S.; Karabutov, A. A.; Simonova, V. A.; Kudinov, I. A.; Cherepetskaya, E. B.

2018-01-01

We studied the possibility of applying laser ultrasound tomography for profilometry of solids. The proposed approach provides high spatial resolution and efficiency, as well as profilometry of contaminated objects or objects submerged in liquids. The algorithms for the construction of tomograms and recognition of the profiles of studied objects using the parallel programming technology NDIVIA CUDA are proposed. A prototype of the real-time laser ultrasound profilometer was used to obtain the profiles of solid surfaces of revolution. The proposed method allows the real-time determination of the surface position for cylindrical objects with an approximation accuracy of up to 16 μm.

Excess vibrational density of states and the brittle to ductile transition in crystalline and amorphous solids.

Science.gov (United States)

Babu, Jeetu S; Mondal, Chandana; Sengupta, Surajit; Karmakar, Smarajit

2016-01-28

The conditions which determine whether a material behaves in a brittle or ductile fashion on mechanical loading are still elusive and comprise a topic of active research among materials physicists and engineers. In this study, we present the results of in silico mechanical deformation experiments from two very different model solids in two and three dimensions. The first consists of particles interacting with isotropic potentials and the other has strongly direction dependent interactions. We show that in both cases, the excess vibrational density of states is one of the fundamental quantities which characterizes the ductility of the material. Our results can be checked using careful experiments on colloidal solids.

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals.

Science.gov (United States)

Zhang, Y; Huang, S L; Wang, S; Zhao, W

2016-05-01

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency for all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert-Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of wave detection signals.

Density functional and theoretical study of the temperature and pressure dependency of the plasmon energy of solids

International Nuclear Information System (INIS)

Attarian Shandiz, M.; Gauvin, R.

2014-01-01

The temperature and pressure dependency of the volume plasmon energy of solids was investigated by density functional theory calculations. The volume change of crystal is the major factor responsible for the variation of valence electron density and plasmon energy in the free electron model. Hence, to introduce the effect of temperature and pressure for the density functional theory calculations of plasmon energy, the temperature and pressure dependency of lattice parameter was used. Also, by combination of the free electron model and the equation of state based on the pseudo-spinodal approach, the temperature and pressure dependency of the plasmon energy was modeled. The suggested model is in good agreement with the results of density functional theory calculations and available experimental data for elements with the free electron behavior.

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals

Energy Technology Data Exchange (ETDEWEB)

Zhang, Y., E-mail: thuzhangyu@foxmail.com; Huang, S. L., E-mail: huangsling@tsinghua.edu.cn; Wang, S.; Zhao, W. [State Key Laboratory of Power Systems, Department of Electrical Engineering, Tsinghua University, Beijing 100084 (China)

2016-05-15

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency for all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert–Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals

International Nuclear Information System (INIS)

Zhang, Y.; Huang, S. L.; Wang, S.; Zhao, W.

2016-01-01

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency for all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert–Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.

Nanoscale hydrodynamics near solids

Science.gov (United States)

Camargo, Diego; de la Torre, J. A.; Duque-Zumajo, D.; Español, Pep; Delgado-Buscalioni, Rafael; Chejne, Farid

2018-02-01

Density Functional Theory (DFT) is a successful and well-established theory for the study of the structure of simple and complex fluids at equilibrium. The theory has been generalized to dynamical situations when the underlying dynamics is diffusive as in, for example, colloidal systems. However, there is no such a clear foundation for Dynamic DFT (DDFT) for the case of simple fluids in contact with solid walls. In this work, we derive DDFT for simple fluids by including not only the mass density field but also the momentum density field of the fluid. The standard projection operator method based on the Kawasaki-Gunton operator is used for deriving the equations for the average value of these fields. The solid is described as featureless under the assumption that all the internal degrees of freedom of the solid relax much faster than those of the fluid (solid elasticity is irrelevant). The fluid moves according to a set of non-local hydrodynamic equations that include explicitly the forces due to the solid. These forces are of two types, reversible forces emerging from the free energy density functional, and accounting for impenetrability of the solid, and irreversible forces that involve the velocity of both the fluid and the solid. These forces are localized in the vicinity of the solid surface. The resulting hydrodynamic equations should allow one to study dynamical regimes of simple fluids in contact with solid objects in isothermal situations.

Thermal Cracking of Low Density Polyethylene (LDPE) Waste into ...

African Journals Online (AJOL)

Waste low density polyethylene film (table water sachets) was converted into solid, liquid oil and gaseous products by thermal process in a self- designed stainless steel laboratory reactor. The waste polymer was completely pyrolized within the temperature range of 474 – 520°C and 2hours reaction time. The solid residue ...

Stability of Electrodeposition at Solid-Solid Interfaces and Implications for Metal Anodes

Science.gov (United States)

Ahmad, Zeeshan; Viswanathan, Venkatasubramanian

2017-08-01

We generalize the conditions for stable electrodeposition at isotropic solid-solid interfaces using a kinetic model which incorporates the effects of stresses and surface tension at the interface. We develop a stability diagram that shows two regimes of stability: a previously known pressure-driven mechanism and a new density-driven stability mechanism that is governed by the relative density of metal in the two phases. We show that inorganic solids and solid polymers generally do not lead to stable electrodeposition, and provide design guidelines for achieving stable electrodeposition.

Carbon deposition thresholds on nickel-based solid oxide fuel cell anodes II. Steam:carbon ratio and current density

Science.gov (United States)

Kuhn, J.; Kesler, O.

2015-03-01

For the second part of a two part publication, coking thresholds with respect to molar steam:carbon ratio (SC) and current density in nickel-based solid oxide fuel cells were determined. Anode-supported button cell samples were exposed to 2-component and 5-component gas mixtures with 1 ≤ SC ≤ 2 and zero fuel utilization for 10 h, followed by measurement of the resulting carbon mass. The effect of current density was explored by measuring carbon mass under conditions known to be prone to coking while increasing the current density until the cell was carbon-free. The SC coking thresholds were measured to be ∼1.04 and ∼1.18 at 600 and 700 °C, respectively. Current density experiments validated the thresholds measured with respect to fuel utilization and steam:carbon ratio. Coking thresholds at 600 °C could be predicted with thermodynamic equilibrium calculations when the Gibbs free energy of carbon was appropriately modified. Here, the Gibbs free energy of carbon on nickel-based anode support cermets was measured to be -6.91 ± 0.08 kJ mol-1. The results of this two part publication show that thermodynamic equilibrium calculations with appropriate modification to the Gibbs free energy of solid-phase carbon can be used to predict coking thresholds on nickel-based anodes at 600-700 °C.

Modification of K-line emission profiles in laser-created solid-density plasmas

International Nuclear Information System (INIS)

Sengebusch, A.; Reinholz, H.; Roepke, G.

2010-01-01

Complete text of publication follows. X-ray emissions in the keV energy range have shown to be suitable radiation to investigate the properties of laser-created solid-density plasmas. We use the modifications of inner shell transitions due to the environment to characterize these plasmas. A theoretical treatment of spectral line profiles based on a self-consistent ion sphere model is applied on moderately ionized mid-Z materials, such as titanium, silicon and chlorine. We observe large contributions of satellite transitions due to M-shell ionization and excitation. To determine the composition a mixture of various excited and ionized ionic states embedded in a plasma has to be considered. Plasma polarization effects that cause shifts of the emission and ionization energies are taken into account. K-line profiles are calculated for bulk temperatures up to 100 eV and free electron densities up to 10 24 cm -3 in order to analyze recent measurements with respect to the plasma parameters of electron heated target regions. Moreover, in high-intensity laser-matter interactions, inevitable prepulses are likely to create preplasma and shocks within the target before the main pulse arrives. We investigate the influence of density gradients due to prepulses on the spectral profiles. Further, radial bulk temperature distributions as well the composition of the created warm dense matter are inferred.

The time-dependent density matrix renormalisation group method

Science.gov (United States)

Ma, Haibo; Luo, Zhen; Yao, Yao

2018-04-01

Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.

Effect of solid distribution on elastic properties of open-cell cellular solids using numerical and experimental methods.

Science.gov (United States)

Zargarian, A; Esfahanian, M; Kadkhodapour, J; Ziaei-Rad, S

2014-09-01

Effect of solid distribution between edges and vertices of three-dimensional cellular solid with an open-cell structure was investigated both numerically and experimentally. Finite element analysis (FEA) with continuum elements and appropriate periodic boundary condition was employed to calculate the elastic properties of cellular solids using tetrakaidecahedral (Kelvin) unit cell. Relative densities between 0.01 and 0.1 and various values of solid fractions were considered. In order to validate the numerical model, three scaffolds with the relative density of 0.08, but different amounts of solid in vertices, were fabricated via 3-D printing technique. Good agreement was observed between numerical simulation and experimental results. Results of numerical simulation showed that, at low relative densities (solid fraction in vertices. By fitting a curve to the data obtained from the numerical simulation and considering the relative density and solid fraction in vertices, empirical relations were derived for Young׳s modulus and Poisson׳s ratio. Copyright © 2014 Elsevier Ltd. All rights reserved.

The implementation of real-time plasma electron density calculations on EAST

Energy Technology Data Exchange (ETDEWEB)

Zhang, Z.C., E-mail: zzc@ipp.ac.cn; Xiao, B.J.; Wang, F.; Liu, H.Q.; Yuan, Q.P.; Wang, Y.; Yang, Y.

2016-11-15

Highlights: • The real-time density calculation system (DCS) has been applied to the EAST 3-wave polarimeter-interferometer (POINT) system. • The new system based on Flex RIO acquires data at high speed and processes them in a short time. • Roll-over module is developed for density calculation. - Abstract: The plasma electron density is one of the most fundamental parameters in tokamak experiment. It is widely used in the plasma control system (PCS) real-time control, as well as plasma physics analysis. The 3-wave polarimeter-interferometer (POINT) system had been used to measure the plasma electron density on the EAST since last campaign. This paper will give the way to realize the real-time measurement of plasma electron density. All intermediate frequency (IF) signals after POINT system, in the 0.5–3 MHz range, stream to the real-time density calculation system (DCS) to extract the phase shift information. All the prototype hardware is based on NI Flex RIO device which contains a high speed Field Programmable Gate Array (FPGA). The original signals are sampled at 10 M Samples/s, and the data after roll-over module are transmitted to PCS by reflective memory (RFM). With this method, real-time plasma electron density data with high accuracy and low noise had been obtained in the latest EAST tokamak experiment.

Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

International Nuclear Information System (INIS)

Ridder, Barbara; Foertsch, Tobias C.; Welle, Alexander; Mattes, Daniela S.; Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander; Meier, Michael A.R.; Breitling, Frank

2016-01-01

Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm"2. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm"2, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

Energy Technology Data Exchange (ETDEWEB)

Ridder, Barbara [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Foertsch, Tobias C. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Welle, Alexander [Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattes, Daniela S. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Meier, Michael A.R., E-mail: m.a.r.meier@kit.edu [Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Breitling, Frank, E-mail: frank.breitling@kit.edu [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2016-12-15

Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm{sup 2}. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm{sup 2}, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

A comprehensive tool for measuring mammographic density changes over time.

Science.gov (United States)

Eriksson, Mikael; Li, Jingmei; Leifland, Karin; Czene, Kamila; Hall, Per

2018-06-01

Mammographic density is a marker of breast cancer risk and diagnostics accuracy. Density change over time is a strong proxy for response to endocrine treatment and potentially a stronger predictor of breast cancer incidence. We developed STRATUS to analyse digital and analogue images and enable automated measurements of density changes over time. Raw and processed images from the same mammogram were randomly sampled from 41,353 healthy women. Measurements from raw images (using FDA approved software iCAD) were used as templates for STRATUS to measure density on processed images through machine learning. A similar two-step design was used to train density measures in analogue images. Relative risks of breast cancer were estimated in three unique datasets. An alignment protocol was developed using images from 11,409 women to reduce non-biological variability in density change. The protocol was evaluated in 55,073 women having two regular mammography screens. Differences and variances in densities were compared before and after image alignment. The average relative risk of breast cancer in the three datasets was 1.6 [95% confidence interval (CI) 1.3-1.8] per standard deviation of percent mammographic density. The discrimination was AUC 0.62 (CI 0.60-0.64). The type of image did not significantly influence the risk associations. Alignment decreased the non-biological variability in density change and re-estimated the yearly overall percent density decrease from 1.5 to 0.9%, p density measures was not influenced by mammogram type. The alignment protocol reduced the non-biological variability between images over time. STRATUS has the potential to become a useful tool for epidemiological studies and clinical follow-up.

Application of nuclear techniques to the measurement of rock density and transport of solid particles suspended in rivers

International Nuclear Information System (INIS)

Seddiki, A.

1984-10-01

In order to better understand hydron phenomens in semi-arid regions characterized by torrential rains, we measured solid particles suspended to dums and in rivers. We also determined the density profile of a drilling and density of saline solutions. We designed an automatic nuclear gauge used for measuring the concentration of particles suspended to rivers. The installation, calibration and operations of a LABEN gauge were done in BENI SLIMANE on the 27th and 28th of February, 1984. The first results we obtained were received on the 24th of April, 1984

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

Science.gov (United States)

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

Real time, high resolution studies of protein adsorption and structure at the solid-liquid interface using dual polarization interferometry

International Nuclear Information System (INIS)

Freeman, Neville J; Peel, Louise L; Swann, Marcus J; Cross, Graham H; Reeves, Andrew; Brand, Stuart; Lu, Jian R

2004-01-01

A novel method for the analysis of thin biological films, called dual polarization interferometry (DPI), is described. This high resolution (<1 A), laboratory-based technique allows the thickness and refractive index (density) of biological molecules adsorbing or reacting at the solid-liquid interface to be measured in real time (up to 10 measurements per second). Results from the adsorption of bovine serum albumin (BSA) on to a silicon oxynitride chip surface are presented to demonstrate how time dependent molecular behaviour can be examined using DPI. Mechanistic and structural information relating to the adsorption process is obtained as a function of the solution pH

The evolution of solid density within a thermal explosion II. Dynamic proton radiography of cracking and solid consumption by burning

International Nuclear Information System (INIS)

Smilowitz, L.; Henson, B. F.; Romero, J. J.; Asay, B. W.; Saunders, A.; Merrill, F. E.; Morris, C. L.; Kwiatkowski, K.; Grim, G.; Mariam, F.; Schwartz, C. L.; Hogan, G.; Nedrow, P.; Murray, M. M.; Thompson, T. N.; Espinoza, C.; Lewis, D.; Bainbridge, J.; McNeil, W.; Rightley, P.

2012-01-01

We report proton transmission images obtained subsequent to the laser assisted thermal ignition of a sample of PBX 9501 (a plastic bonded formulation of the explosive nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)). We describe the laser assisted thermal ignition technique as a means to synchronize a non-linear thermal ignition event while preserving the subsequent post-ignition behavior. We have obtained dynamic proton transmission images at two spatial magnifications and viewed both the radial and transverse axis of a solid cylindrical sample encased in aluminum. Images have been obtained with 3 to 15 μs temporal resolution and approximately 100 μm spatial resolution at the higher magnification. We observe case expansion from very early in the experiment, until case fragmentation. We observe spatially anisotropic features in the transmission which we attribute to cracking in the solid explosive, in agreement with previous measurements conducted on two dimensional samples with optical viewing. Digital analysis of the images also reveals spatially isotropic features which we attribute to the evolution of the loss of density by burning subsequent to thermal ignition.

The evolution of solid density within a thermal explosion II. Dynamic proton radiography of cracking and solid consumption by burning

Energy Technology Data Exchange (ETDEWEB)

Smilowitz, L.; Henson, B. F.; Romero, J. J.; Asay, B. W.; Saunders, A.; Merrill, F. E.; Morris, C. L.; Kwiatkowski, K.; Grim, G.; Mariam, F.; Schwartz, C. L.; Hogan, G.; Nedrow, P.; Murray, M. M.; Thompson, T. N.; Espinoza, C.; Lewis, D.; Bainbridge, J.; McNeil, W.; Rightley, P. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); and others

2012-05-15

We report proton transmission images obtained subsequent to the laser assisted thermal ignition of a sample of PBX 9501 (a plastic bonded formulation of the explosive nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)). We describe the laser assisted thermal ignition technique as a means to synchronize a non-linear thermal ignition event while preserving the subsequent post-ignition behavior. We have obtained dynamic proton transmission images at two spatial magnifications and viewed both the radial and transverse axis of a solid cylindrical sample encased in aluminum. Images have been obtained with 3 to 15 {mu}s temporal resolution and approximately 100 {mu}m spatial resolution at the higher magnification. We observe case expansion from very early in the experiment, until case fragmentation. We observe spatially anisotropic features in the transmission which we attribute to cracking in the solid explosive, in agreement with previous measurements conducted on two dimensional samples with optical viewing. Digital analysis of the images also reveals spatially isotropic features which we attribute to the evolution of the loss of density by burning subsequent to thermal ignition.

A perfectly matched layer for fluid-solid problems: Application to ocean-acoustics simulations with solid ocean bottoms

DEFF Research Database (Denmark)

Xie, Zhinan; Matzen, René; Cristini, Paul

2016-01-01

A time-domain Legendre spectral-element method is described for full-wave simulation of ocean acoustics models, i.e., coupled fluid-solid problems in unbounded or semi-infinite domains, taking into account shear wave propagation in the ocean bottom. The technique can accommodate range-dependent a......A time-domain Legendre spectral-element method is described for full-wave simulation of ocean acoustics models, i.e., coupled fluid-solid problems in unbounded or semi-infinite domains, taking into account shear wave propagation in the ocean bottom. The technique can accommodate range......-dependent and depth-dependent wave speed and density, as well as steep ocean floor topography. For truncation of the infinite domain, to efficiently absorb outgoing waves, a fluid-solid complex-frequency-shifted unsplit perfectly matched layer is introduced based on the complex coordinate stretching technique....... The complex stretching is rigorously taken into account in the derivation of the fluid-solid matching condition inside the absorbing layer, which has never been done before in the time domain. Two implementations are designed: a convolutional formulation and an auxiliary differential equation formulation...

A novel technique for real-time estimation of edge pedestal density gradients via reflectometer time delay data

Energy Technology Data Exchange (ETDEWEB)

Zeng, L., E-mail: zeng@fusion.gat.com; Doyle, E. J.; Rhodes, T. L.; Wang, G.; Sung, C.; Peebles, W. A. [Physics and Astronomy Department, University of California, Los Angeles, California 90095 (United States); Bobrek, M. [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6006 (United States)

2016-11-15

A new model-based technique for fast estimation of the pedestal electron density gradient has been developed. The technique uses ordinary mode polarization profile reflectometer time delay data and does not require direct profile inversion. Because of its simple data processing, the technique can be readily implemented via a Field-Programmable Gate Array, so as to provide a real-time density gradient estimate, suitable for use in plasma control systems such as envisioned for ITER, and possibly for DIII-D and Experimental Advanced Superconducting Tokamak. The method is based on a simple edge plasma model with a linear pedestal density gradient and low scrape-off-layer density. By measuring reflectometer time delays for three adjacent frequencies, the pedestal density gradient can be estimated analytically via the new approach. Using existing DIII-D profile reflectometer data, the estimated density gradients obtained from the new technique are found to be in good agreement with the actual density gradients for a number of dynamic DIII-D plasma conditions.

Examining real-time time-dependent density functional theory nonequilibrium simulations for the calculation of electronic stopping power

Science.gov (United States)

Yost, Dillon C.; Yao, Yi; Kanai, Yosuke

2017-09-01

In ion irradiation processes, electronic stopping power describes the energy transfer rate from the irradiating ion to the target material's electrons. Due to the scarcity and significant uncertainties in experimental electronic stopping power data for materials beyond simple solids, there has been growing interest in the use of first-principles theory for calculating electronic stopping power. In recent years, advances in high-performance computing have opened the door to fully first-principles nonequilibrium simulations based on real-time time-dependent density functional theory (RT-TDDFT). While it has been demonstrated that the RT-TDDFT approach is capable of predicting electronic stopping power for a wide range of condensed matter systems, there has yet to be an exhaustive examination of the physical and numerical approximations involved and their effects on the calculated stopping power. We discuss the results of such a study for crystalline silicon with protons as irradiating ions. We examine the influences of key approximations in RT-TDDFT nonequilibrium simulations on the calculated electronic stopping power, including approximations related to basis sets, finite size effects, exchange-correlation approximation, pseudopotentials, and more. Finally, we propose a simple and efficient correction scheme to account for the contribution from core-electron excitations to the stopping power, as it was found to be significant for large proton velocities.

The solid molecular hydrogens in the ordered state as function of density and ortho-para concentration: a far infrared study

International Nuclear Information System (INIS)

Jochemsen, R.

1978-01-01

In this thesis, the results of far infrared absorption experiments on solid molecular hydrogen and deuterium are presented. In Chapter I an introduction to the properties of solid molecular hydrogens in given. The experimental system used for the high pressure infrared measurements and the data handling procedures are discussed in Chapter II. The theory of infrared absorption and the averaging of the dipole moment over the motion of the molecules is contained in Chapter III. In this chapter a general sum rule for the integrated absorption is derived. The remaining chapters present the results of the measurements and the discussion. In Chapter IV the author concentrates on the phonon frequencies as a function of ortho-para concentration and density, while in Chapter V measuremtns of phonon lineshape and integrated absorption intensities are presented. Finally, in Chapter VI, a study is given of the phase transition in solid hydrogen and deuterium. This study provides accurate values for the transition temperature as a function of density (in deuterium) and as a function of ortho-para concentration (in hydrogen) as well as the dependence of the order parameter on the temperature and the ortho-para concentration. (Auth.)

Minimum entropy density method for the time series analysis

Science.gov (United States)

Lee, Jeong Won; Park, Joongwoo Brian; Jo, Hang-Hyun; Yang, Jae-Suk; Moon, Hie-Tae

2009-01-01

The entropy density is an intuitive and powerful concept to study the complicated nonlinear processes derived from physical systems. We develop the minimum entropy density method (MEDM) to detect the structure scale of a given time series, which is defined as the scale in which the uncertainty is minimized, hence the pattern is revealed most. The MEDM is applied to the financial time series of Standard and Poor’s 500 index from February 1983 to April 2006. Then the temporal behavior of structure scale is obtained and analyzed in relation to the information delivery time and efficient market hypothesis.

Improvements in the critical current densities of Nb3Sn by solid solution additions of Sn in Nb

International Nuclear Information System (INIS)

Luhman, T.; Suenaga, M.

1975-01-01

The effectiveness of solid solution additions of Sn to Nb in improving the superconducting properties of diffusion processed Nb 3 Sn conductors was examined. It was found that an increase in the superconducting critical current density, Jc, as function of layer thickness (d) may be obtained for thick Nb 3 Sn layers by solid solution additions of Sn in Nb. A large increase in J/sub c/ (d) is also achieved by increasing the Sn content in the bronze matrix material. In addition to uses of this material in magnet fabrications a potential application of these improved J/sub c/(d) values may lie in the use of Nb 3 Sn in power transmission lines. Here, a high superconducting critical current density is necessary throughout the material to carry the increased current during fault conditions. The magnetic field dependence of J/sub c/ is a function of alloy content but the alloying changes studied here do not increase the high field critical current capability of Nb 3 Sn. (auth)

Density of Ni-Al Alloys in Liquid and Solid-Liquid Coexistence State Measured by a Modified Pycnometric Method

Institute of Scientific and Technical Information of China (English)

Liang FANG; Feng XIAO; Zushu LI; Zainan TAO

2004-01-01

The density of Ni-Al alloys in both liquid state and solid-liquid coexistence state was measured with a modified pycnometric method. It was found that the density of NI-Al alloys decreases with increasing temperature and Al concentration in the alloys. The molar volume of liquid Ni-Al binary alloys increases with the increase of temperature and Al concentration. The partial molar volume of Al in NI-Al binary alloy was calculated approximately. The molar volume of liquid NI-Al alloy determined in the present work shows a negative deviation from the ideal linear molar volume.

Solid H2 in the interstellar medium

Science.gov (United States)

Füglistaler, A.; Pfenniger, D.

2018-06-01

Context. Condensation of H2 in the interstellar medium (ISM) has long been seen as a possibility, either by deposition on dust grains or thanks to a phase transition combined with self-gravity. H2 condensation might explain the observed low efficiency of star formation and might help to hide baryons in spiral galaxies. Aims: Our aim is to quantify the solid fraction of H2 in the ISM due to a phase transition including self-gravity for different densities and temperatures in order to use the results in more complex simulations of the ISM as subgrid physics. Methods: We used molecular dynamics simulations of fluids at different temperatures and densities to study the formation of solids. Once the simulations reached a steady state, we calculated the solid mass fraction, energy increase, and timescales. By determining the power laws measured over several orders of magnitude, we extrapolated to lower densities the higher density fluids that can be simulated with current computers. Results: The solid fraction and energy increase of fluids in a phase transition are above 0.1 and do not follow a power law. Fluids out of a phase transition are still forming a small amount of solids due to chance encounters of molecules. The solid mass fraction and energy increase of these fluids are linearly dependent on density and can easily be extrapolated. The timescale is below one second, the condensation can be considered instantaneous. Conclusions: The presence of solid H2 grains has important dynamic implications on the ISM as they may be the building blocks for larger solid bodies when gravity is included. We provide the solid mass fraction, energy increase, and timescales for high density fluids and extrapolation laws for lower densities.

Energy and pressure requirements for compression of swine solid fraction compost

Directory of Open Access Journals (Sweden)

Niccolò Pampuro

2013-09-01

Full Text Available The excessive amount of pig slurry spread on soil has contributed to nitrate water pollution both in surface and in ground waters, especially in areas classified as vulnerable zones to nitrate in accordance with European Regulation (91/676/CEE. Several techniques have been developed to manage livestock slurries as cheaply and conveniently as possible and to reduce potential risks of environmental pollution. Among these techniques, solid-liquid separation of slurry is a common practice in Italy. The liquid fraction can be used for irrigation and the solid fraction, after aerobic stabilization, produces an organic compost rich in humic substances. However, compost derived from swine solid fraction is a low density material (bulk density less than 500 kgm–3. This makes it costly to transport composted swine solid fraction from production sites to areas where it could be effectively utilized for value-added applications such as in soil fertilization. Densification is one possible way to enhance the storage and transportation of the compost. This study therefore investigates the effect of pressure (20- 110 MPa and pressure application time (5-120 s on the compaction characteristics of compost derived from swine solid fraction. Two different types of material have been used: composted swine solid fraction derived from mechanical separation and compost obtained by mixing the first material with wood chips. Results obtained showed that both the pressure applied and the pressure application time significantly affect the density of the compacted samples; while the specific compression energy is significantly affected only by the pressure. Best predictor equations were developed to predict compact density and the specific compression energy required by the densification process. The specific compression energy values based on the results from this study (6-32 kJkg–1 were significantly lower than the specific energy required to manufacture pellets from

Unexpected storm-time nightside plasmaspheric density enhancement at low L shell

Science.gov (United States)

Chu, X.; Bortnik, J.; Denton, R. E.; Yue, C.

2017-12-01

We have developed a three-dimensional dynamic electron density (DEN3D) model in the inner magnetosphere using a neural network approach. The DEN3D model can provide spatiotemporal distribution of the electron density at any location and time that spacecraft observations are not available. Given DEN3D's good performance in predicting the structure and dynamic evolution of the plasma density, the salient features of the DEN3D model can be used to gain further insight into the physics. For instance, the DEN3D models can be used to find unusual phenomena that are difficult to detect in observations or simulations. We report, for the first time, an unexpected plasmaspheric density increase at low L shell regions on the nightside during the main phase of a moderate storm during 12-16 October 2004, as opposed to the expected density decrease due to storm-time plasmaspheric erosion. The unexpected density increase is first discovered in the modeled electron density distribution using the DEN3D model, and then validated using in-situ density measurements obtained from the IMAGE satellite. The density increase was likely caused by increased earthward transverse field plasma transport due to enhanced nightside ExB drift, which coincided with enhanced solar wind electric field and substorm activity. This is consistent with the results of physics-based simulation SAMI3 model which show earthward enhanced plasma transport and electron density increase at low L shells during storm main phase.

Control-oriented modeling of the plasma particle density in tokamaks and application to real-time density profile reconstruction

NARCIS (Netherlands)

Blanken, T.C.; Felici, F.; Rapson, C.J.; de Baar, M.R.; Heemels, W.P.M.H.

2018-01-01

A model-based approach to real-time reconstruction of the particle density profile in tokamak plasmas is presented, based on a dynamic state estimator. Traditionally, the density profile is reconstructed in real-time by solving an ill-conditioned inversion problem using a measurement at a single

Time-dependent density functional theory for multi-component systems

International Nuclear Information System (INIS)

Tiecheng Li; Peiqing Tong

1985-10-01

The Runge-Gross version of Hohenberg-Kohn-Sham's density functional theory is generalized to multi-component systems, both for arbitrary time-dependent pure states and for arbitrary time-dependent ensembles. (author)

Precision density measuring equipment: Design, selected examples

International Nuclear Information System (INIS)

Karasinski, T.; Patzelt, K.; Dieker, C.; Hansen, H.; Wenzl, H.; Schober, T.

1987-06-01

The report deals with solids density measurement using the pyknometer, the hydrostatic balance, or the floating specimen method. The mathematical relations are derived, and error sources are shown. A detailed description is given of a measuring set-up for measuring the density of solids and liquids. An error calculation is presented. After explaining the determination of density of a standard solid body, the report describes the density measurement of monocrystalline germanium, of niobium-tritide, Ni 3 Al, Ge-Si, and gallium arsenide, the determination of space-lattice expansion by hydrogen isotopes, and of the purity of H-D mixtures. (GG) [de

Energy density of a dissipative polarizable solid by a Lagrangean formalism

International Nuclear Information System (INIS)

Englman, R.; Yahalom, A.

2003-01-01

A Lagrangean for the dynamics of an electromagnetic field in a dispersive and dissipative material is constructed (adapting some ideas by Bekenstein and Hannay) and an expression for the energy density that is positive is obtained from it. The expression contains extra (sink) degrees of freedom that represent dissipating modes. In simplified cases the sink modes can be eliminated to yield an energy density expression in terms of the electromagnetic fields, the polarization and the magnetization only, but which contains parameters associated with the sink modes. The method of adding extra modes can be used to set up a Lagrangean formalism for dissipative systems in general, such that will reinstate time-translation invariance and will yield a unique energy density

A development of solid oxide fuel cell technology

Energy Technology Data Exchange (ETDEWEB)

Lim, Hee Chun; Lee, Chang Woo [Korea Electric Power Corp. (KEPCO), Taejon (Korea, Republic of). Research Center; Kim, Kwy Youl; Yoon, Moon Soo; Kim, Ho Ki; Kim, Young Sik; Mun, Sung In; Eom, Sung Wuk [Korea Electrotechnology Research Inst., Changwon (Korea, Republic of)

1996-12-31

Solid oxide fuel cell which was consisted of ceramics has high power density and is very simple in shape. The project named A development of SOFC(Solid Oxide Fuel Cell) technology is to develop the unit cell fabrication processing and to evaluate the unit cell of solid oxide full cell. In this project, a manufacturing process of cathode by citrate method and polymeric precursor methods were established. By using tape casting method, high density thin electrolyte was manufactured and has high performance. Unit cell composed with La{sub 17}Sr{sub 13}Mn{sub 3} as cathode, 8YSZ electrolyte and 50% NiYSZ anode had a performance of O.85 W/cm{sup 2} and recorded 510 hours operation time. On the basis of these results. 100 cm{sup 2} class unit cell will be fabricated and tests in next program (author). 59 refs., 120 figs.

A development of solid oxide fuel cell technology

Energy Technology Data Exchange (ETDEWEB)

Lim, Hee Chun; Lee, Chang Woo [Korea Electric Power Corp. (KEPCO), Taejon (Korea, Republic of). Research Center; Kim, Kwy Youl; Yoon, Moon Soo; Kim, Ho Ki; Kim, Young Sik; Mun, Sung In; Eom, Sung Wuk [Korea Electrotechnology Research Inst., Changwon (Korea, Republic of)

1995-12-31

Solid oxide fuel cell which was consisted of ceramics has high power density and is very simple in shape. The project named A development of SOFC(Solid Oxide Fuel Cell) technology is to develop the unit cell fabrication processing and to evaluate the unit cell of solid oxide full cell. In this project, a manufacturing process of cathode by citrate method and polymeric precursor methods were established. By using tape casting method, high density thin electrolyte was manufactured and has high performance. Unit cell composed with La{sub 17}Sr{sub 13}Mn{sub 3} as cathode, 8YSZ electrolyte and 50% NiYSZ anode had a performance of O.85 W/cm{sup 2} and recorded 510 hours operation time. On the basis of these results. 100 cm{sup 2} class unit cell will be fabricated and tests in next program (author). 59 refs., 120 figs.

Real-time electron density measurements from Cotton-Mouton effect in JET machine

International Nuclear Information System (INIS)

Brombin, M.; Boboc, A.; Zabeo, L.; Murari, A.

2008-01-01

Real-time density profile measurements are essential for advanced fusion tokamak operation and interferometry is a proven method for this task. Nevertheless, as a consequence of edge localized modes, pellet injections, fast density increases, or disruptions, the interferometer is subject to fringe jumps, which produce loss of the signal preventing reliable use of the measured density in a real-time feedback controller. An alternative method to measure the density is polarimetry based on the Cotton-Mouton effect, which is proportional to the line-integrated electron density. A new analysis approach has been implemented and tested to verify the reliability of the Cotton-Mouton measurements for a wide range of plasma parameters and to compare the density evaluated from polarimetry with that from interferometry. The density measurements based on polarimetry are going to be integrated in the real-time control system of JET since the difference with the interferometry is within one fringe for more than 90% of the cases.

FOREWORD: Special issue on density

Science.gov (United States)

Fujii, Kenichi

2004-04-01

This special issue on density was undertaken to provide readers with an overview of the present state of the density standards for solids, liquids and gases, as well as the technologies developed for measuring density. This issue also includes topics on the refractive index of gases and on techniques used for calibrating hydrometers so that almost all areas concerned with density standards are covered in four review articles and seven original articles, most of which describe current research being conducted at national metrology institutes (NMIs). A review article was invited from the Ruhr-Universität Bochum to highlight research on the magnetic suspension densimeters. In metrology, the determinations of the volume of a weight and the density of air are of primary importance in establishing a mass standard because the effect of the buoyancy force of air acting on the weight must be known accurately to determine the mass of the weight. A density standard has therefore been developed at many NMIs with a close relation to the mass standard. Hydrostatic weighing is widely used to measure the volume of a solid. The most conventional hydrostatic weighing method uses water as a primary density standard for measuring the volume of a solid. A brief history of the determination of the density of water is therefore given in a review article, as well as a recommended value for the density of water with a specified isotopic abundance. The most modern technique for hydrostatic weighing uses a solid density standard instead of water. For this purpose, optical interferometers for measuring the diameters of silicon spheres have been developed to convert the length standard into the volume standard with a small uncertainty. A review article is therefore dedicated to describing the state-of-the-art optical interferometers developed for silicon spheres. Relative combined standard uncertainties of several parts in 108 have been achieved today for measuring the volume and density of

2007 Time_Dependent Density-Functional Therory (July 15-20, 2007 Colby College, Maine)

Energy Technology Data Exchange (ETDEWEB)

Ullrich Carsten

2008-09-19

Time-dependent density-functional theory (TDDFT) provides an efficient, elegant, and formally exact way of describing the dynamics of interacting many-body quantum systems, circumventing the need for solving the full time-dependent Schroedinger equation. In the 20 years since it was first rigorously established in 1984, the field of TDDFT has made rapid and significant advances both formally as well as in terms of successful applications in chemistry, physics and materials science. Today, TDDFT has become the method of choice for calculating excitation energies of complex molecules, and is becoming increasingly popular for describing optical and spectroscopic properties of a variety of materials such as bulk solids, clusters and nanostructures. Other growing areas of applications of TDDFT are nonlinear dynamics of strongly excited electronic systems and molecular electronics. The purpose and scope of this Gordon Research Conference is to provide a platform for discussing the current state of the art of the rapidly progressing, highly interdisciplinary field of TDDFT, to identify and debate open questions, and to point out new promising research directions. The conference will bring together experts with a diverse background in chemistry, physics, and materials science.

Laser produced plasma density measurement by Mach-Zehnder interferometry

International Nuclear Information System (INIS)

Vaziri, A.; Kohanzadeh, Y.; Mosavi, R.K.

1976-06-01

This report describes an optical interferometric method of measuring the refractive index of the laser-produced plasma, giving estimates of its electron density. The plasma is produced by the interaction of a high power pulsed CO 2 laser beam with a solid target in the vacuum. The time varying plasma has a transient electron density. This transient electron density gives rise to a changing plasma refractive index. A Mach-Zehnder ruby laser interferometer is used to measure this refractive index change

Effect of fermentation time of mixture of solid and liquid wastes from tapioca industry to percentage reduction of TSS (Total Suspended Solids)

Science.gov (United States)

Pandia, S.; Tanata, S.; Rachel, M.; Octiva, C.; Sialagan, N.

2018-02-01

The waste from tapioca industry is as an organic waste that contains many important compounds such as carbohydrate, protein, and glucose. This research as aimed to know the effect of fermentation time from solid waste combined with waste-water from the tapioca industry to percentage reduction of TSS. The study was started by mixing the solid and liquid wastes from tapioca industry at a ratio of 70:30, 60:40, 50:50, 40:60, and 30:70 (w/w) with a starter from solid waste of cattle in a batch anaerobic digester. The percentage reduction of TSS was 72.2289 at a ratio by weight of the composition of solid and liquid wastes from tapioca industry was 70:30 after 30 days of fermentation time.

Dynamic density functional theory of solid tumor growth: Preliminary models

Directory of Open Access Journals (Sweden)

Arnaud Chauviere

2012-03-01

Full Text Available Cancer is a disease that can be seen as a complex system whose dynamics and growth result from nonlinear processes coupled across wide ranges of spatio-temporal scales. The current mathematical modeling literature addresses issues at various scales but the development of theoretical methodologies capable of bridging gaps across scales needs further study. We present a new theoretical framework based on Dynamic Density Functional Theory (DDFT extended, for the first time, to the dynamics of living tissues by accounting for cell density correlations, different cell types, phenotypes and cell birth/death processes, in order to provide a biophysically consistent description of processes across the scales. We present an application of this approach to tumor growth.

Densities of Pb-Sn alloys during solidification

Science.gov (United States)

Poirier, D. R.

1988-01-01

Data for the densities and expansion coefficients of solid and liquid alloys of the Pb-Sn system are consolidated in this paper. More importantly, the data are analyzed with the purpose of expressing either the density of the solid or of the liquid as a function of its composition and temperature. In particular, the densities of the solid and of the liquid during dendritic solidification are derived. Finally, the solutal and thermal coefficients of volume expansion for the liquid are given as functions of temperature and composition.

Life Time Performance Characterization of Solid Oxide Electrolysis Cells for Hydrogen Production

DEFF Research Database (Denmark)

Sun, Xiufu; Chen, Ming; Liu, Yi-Lin

2015-01-01

Solid oxide electrolysis cells (SOECs) offer a promising technological solution for efficient energy conversion and production of hydrogen or syngas. The commercialization of the SOEC technology can be promoted if SOECs can be operated at high current density with stable performance over ~5 years...... - 3 years (continuous operation, setting 1.5 V as the upper voltage defining “end of life”). The results provide technological input to future design of electrolysis plants for hydrogen production. © 2015 ECS - The Electrochemical Society...

High speed real-time wavefront processing system for a solid-state laser system

Science.gov (United States)

Liu, Yuan; Yang, Ping; Chen, Shanqiu; Ma, Lifang; Xu, Bing

2008-03-01

A high speed real-time wavefront processing system for a solid-state laser beam cleanup system has been built. This system consists of a core2 Industrial PC (IPC) using Linux and real-time Linux (RT-Linux) operation system (OS), a PCI image grabber, a D/A card. More often than not, the phase aberrations of the output beam from solid-state lasers vary fast with intracavity thermal effects and environmental influence. To compensate the phase aberrations of solid-state lasers successfully, a high speed real-time wavefront processing system is presented. Compared to former systems, this system can improve the speed efficiently. In the new system, the acquisition of image data, the output of control voltage data and the implementation of reconstructor control algorithm are treated as real-time tasks in kernel-space, the display of wavefront information and man-machine conversation are treated as non real-time tasks in user-space. The parallel processing of real-time tasks in Symmetric Multi Processors (SMP) mode is the main strategy of improving the speed. In this paper, the performance and efficiency of this wavefront processing system are analyzed. The opened-loop experimental results show that the sampling frequency of this system is up to 3300Hz, and this system can well deal with phase aberrations from solid-state lasers.

Factors influencing delay time and coronary arterial density during coronary angiography with DSCT.

Science.gov (United States)

Tang, Lijun; Zhu, Xiaomei; Xu, Yi; Yu, Tongfu; Xu, Hai; Tang, Jinhua; Dogra, Vikram; Wang, Dehang

2011-02-01

CT angiography (CTA) plays an important role in diagnosing coronary arterial disease. Delay time and density of the coronary arteries related with patient-specific factors are essential for getting an optimal CTA image. To investigate various factors influencing delay time and coronary arterial density during coronary CTA with dual source CT. One hundred and sixteen consecutive subjects who underwent cardiac DSCT with retrospective ECG-gating were included. Factors including gender, age, height, weight, transversal cardiac diameter (TCD), transversal thoracic diameter (TTD), heart rate (HR), body surface area (BSA = [weight × height/3600](1/2)) and cardiothoracic ratio (CTR = TCD/TTD) were recorded, measured and calculated before administration of contrast media during coronary CT angiography. Delay time was determined as duration from the beginning of the injection to the density in the descending aorta at the level of right main pulmonary artery reaching a threshold of 100 HU. Coronary arterial density was measured at the mid portion of the right coronary artery. Regression analysis and stepwise regression analysis were used to investigate the influence of these factors on delay time and coronary arterial density. Delay time decreased with an increasing HR and it was shorter in women than men. Delay time increased with an increasing TCD. Delay time could be predicted by the formula: DT = 16.651-0.110 × HR + 1.902 × gender + 0.394 × TCD (where DT is abbreviation for delay time, gender is 0 for women and 1 for men). Coronary arterial density decreased with an increasing HR and weight. Coronary arterial density could be predicted by the formula: CAD = 923.42-4.099 × HR-3.293 × weight (CAD = coronary arterial density). There was no relationship between the other factors mentioned above and delay time or coronary arterial density. Delay time is influenced by HR, gender and TCD. Coronary arterial density also changes with HR and weight. So HR, gender, TCD and

Resonant transducers for solid-state plasma density modulation

Energy Technology Data Exchange (ETDEWEB)

Hallock, Gary A., E-mail: hallock@ece.utexas.edu [The University of Texas at Austin, Austin, Texas 78701 (United States); Meier, Mark A., E-mail: mark.a.meier@exxonmobil.com [ExxonMobil Upstream Research Company, Houston, Texas 77389 (United States)

2016-04-15

We have developed transducers capable of modulating the plasma density and plasma density gradients in indium antimonide. These transducers make use of piezoelectric drivers to excite acoustic pressure resonance at 3λ/2, generating large amplitude standing waves and plasma density modulations. The plasma density has been directly measured using a laser diagnostic. A layered media model shows good agreement with the experimental measurements.

Anisotropy of the nuclear magnetic relaxation times induced in solid 3He by modulation of the dipolar interactions

International Nuclear Information System (INIS)

Deville, G.

1976-01-01

Anisotropic nuclear relaxation times have been measured in solid 3 He samples grown at constant pressure, in the Larmor frequency range 1.5MHz-5MHz where the main relaxation mechanism is the modulation of the dipolar interaction by exchange or by motion of the vacancies. The second order calculation made by Harris for the exchange induced relaxation regime is extended to the regime where vacancy motion dominates. The theory is further refined by considering the fourth moment anisotropy effect on the spectral densities. This latter calculation yields a frequency dependent anisotropic contribution to T 1 which agrees qualitatively with the data, unlike the simpler results by Harris [fr

Picosecond KrF laser interaction with solid targets

International Nuclear Information System (INIS)

Smith, R.A.; Barrow, V.; Edwards, J.; Kiehn, G.; Wark, J.; Willi, O.; Barr, J.; Everall, N.; Hooker, C.; Ross, T.; Shaw, M.; Turcu, E.

1988-01-01

The recently developed high power KrF system at the Rutherford Appleton Laboratory has been used to heat solid targets with laser energies of up to 1 Joule in 3ps. Single shot irradiances of up to 10 17 Wcm -2 were achieved at the target surface. A number of diagnostics were used to investigate the plasmas produced. These included time integrated and time resolved X-ray and VUV spectroscopy. The plasma temperature was obtained from X-ray line ratios, and the plasma density from Stark broadening. When ASE background containing about 20% of the short pulse energy in a 10ns interval was present, the X0ray spectra indicated an electron temperature of about 400ev and a density of a few times 10 22 cm -2 . If however the prepulse level was kept to below 10 -3 of the main pulse, measurements indicated a plasmas with temperatures of 400ev at close to solid density. The production of hot electrons was investigated using titanium targets overcoated with CH, and observing the Ti Κα emission. These measurements also confirmed the low prepulse level, since Κα emission was weak when only 0.5 microns of plastic overcoat was used. These experimental results were simulated and observations and simulations are discussed

Real-time feedback control of the plasma density profile on ASDEX Upgrade

International Nuclear Information System (INIS)

Mlynek, A.; Reich, M.; Giannone, L.; Treutterer, W.; Behler, K.; Blank, H.; Buhler, A.; Cole, R.; Eixenberger, H.; Fischer, R.; Lohs, A.; Lueddecke, K.; Merkel, R.; Neu, G.; Ryter, F.; Zasche, D.

2011-01-01

The spatial distribution of density in a fusion experiment is of significant importance as it enters in numerous analyses and contributes to the fusion performance. The reconstruction of the density profile is therefore commonly done in offline data analysis. In this paper, we present an algorithm which allows for density profile reconstruction from the data of the submillimetre interferometer and the magnetic equilibrium in real-time. We compare the obtained results to the profiles yielded by a numerically more complex offline algorithm. Furthermore, we present recent ASDEX Upgrade experiments in which we used the real-time density profile for active feedback control of the shape of the density profile.

Applications of electron density studies in molecular and solid state science

DEFF Research Database (Denmark)

Overgaard, Jacob

2015-01-01

of electron density studies in connection with the UN declared International Year of Crystallography in 2014. In addition, a number of reviews on the method have very recently appeared showing that the time is ripe to look back on the achievements of the last 10 years and also to look ahead to see where...... to the technical developments driven not least by the efforts from large commercial manufacturers such as Bruker AXS and Agilent Technologies. It is also not unwarranted to claim that the electron density community is a driving force in this technological improvement as it is essential to push these instruments...

Factors influencing delay time and coronary arterial density during coronary angiography with DSCT

International Nuclear Information System (INIS)

Lijun Tang; Xiaomei Zhu; Yi Xu; Tongfu Yu; Hai Xu; Jinhua Tang; Dehang Wang; Dogra, Vikram

2011-01-01

Background: CT angiography (CTA) plays an important role in diagnosing coronary arterial disease. Delay time and density of the coronary arteries related with patient-specific factors are essential for getting an optimal CTA image. Purpose: To investigate various factors influencing delay time and coronary arterial density during coronary CTA with dual source CT. Material and Methods: One hundred and sixteen consecutive subjects who underwent cardiac DSCT with retrospective ECG-gating were included. Factors including gender, age, height, weight, transversal cardiac diameter (TCD), transversal thoracic diameter (TTD), heart rate (HR), body surface area (BSA = [weight x height/3600]1/2) and cardiothoracic ratio (CTR = TCD/TTD) were recorded, measured and calculated before administration of contrast media during coronary CT angiography. Delay time was determined as duration from the beginning of the injection to the density in the descending aorta at the level of right main pulmonary artery reaching a threshold of 100 HU. Coronary arterial density was measured at the mid portion of the right coronary artery. Regression analysis and stepwise regression analysis were used to investigate the influence of these factors on delay time and coronary arterial density. Results: Delay time decreased with an increasing HR and it was shorter in women than men. Delay time increased with an increasing TCD. Delay time could be predicted by the formula: DT = 16.651-0.110 x HR + 1.902 x gender + 0.394 x TCD (where DT is abbreviation for delay time, gender is 0 for women and 1 for men). Coronary arterial density decreased with an increasing HR and weight. Coronary arterial density could be predicted by the formula: CAD = 923.42-4.099 x HR-3.293 x weight (CAD = coronary arterial density). There was no relationship between the other factors mentioned above and delay time or coronary arterial density. Conclusion: Delay time is influenced by HR, gender and TCD. Coronary arterial density

A fast density-based clustering algorithm for real-time Internet of Things stream.

Science.gov (United States)

Amini, Amineh; Saboohi, Hadi; Wah, Teh Ying; Herawan, Tutut

2014-01-01

Data streams are continuously generated over time from Internet of Things (IoT) devices. The faster all of this data is analyzed, its hidden trends and patterns discovered, and new strategies created, the faster action can be taken, creating greater value for organizations. Density-based method is a prominent class in clustering data streams. It has the ability to detect arbitrary shape clusters, to handle outlier, and it does not need the number of clusters in advance. Therefore, density-based clustering algorithm is a proper choice for clustering IoT streams. Recently, several density-based algorithms have been proposed for clustering data streams. However, density-based clustering in limited time is still a challenging issue. In this paper, we propose a density-based clustering algorithm for IoT streams. The method has fast processing time to be applicable in real-time application of IoT devices. Experimental results show that the proposed approach obtains high quality results with low computation time on real and synthetic datasets.

The determination of bulk (apparent) density of plant fibres by density method

International Nuclear Information System (INIS)

Sharifah Hanisah Syed Abd Aziz; Raja Jamal Raja hedar; Zahid Abdullah

2004-01-01

The absolute density of plant fibres excludes all pores and lumen and therefore is a measure of the solid matter of the fibres. On the other hand the bulk density, which is being discussed here, includes all the solid matter and the pores of the fibres. In this work, the apparent density of the fibre was measured by using the Archimedes principle, which involves the immersion of a known weight of fibre into a solvent of lower density than the fibre. Toluene with a density of about 860 kg/m3 was chosen as a solvent. A tuft of fibre was weighed and recorded as W fa . The fibre was then immersed in toluene, which wetted the fibre, and made to rest on the weighing pan submerged in the solvent and the weight of the immersed fibre was recorded as W fs . The apparent density was then calculated using the equation. All the measurements were taken at room temperature. The fibre samples were not oven dried prior to measurement. (Author)

X-ray spectroscopy for high energy-density X pinch density and temperature measurements (invited)

International Nuclear Information System (INIS)

Pikuz, S.A.; Shelkovenko, T.A.; Chandler, K.M.; Mitchell, M.D.; Hammer, D.A.; Skobelev, I.Y.; Shlyaptseva, A.S.; Hansen, S.B.

2004-01-01

X pinch plasmas produced from fine metal wires can reach near solid densities and temperatures of 1 keV or even more. Plasma conditions change on time scales as short as 5-10 ps as determined using an x-ray streak camera viewing a focusing crystal spectrograph or directly viewing the plasma through multiple filters on a single test. As a result, it is possible to determine plasma conditions from spectra with ∼10 ps time resolution. Experiments and theory are now coming together to give a consistent picture of the dynamics and kinetics of these high energy density plasmas with very high temporal and spatial precision. A set of diagnostic techniques used in experiments for spectrally, temporally, and spatially resolved measurements of X pinch plasmas is described. Results of plasma parameter determination from these measurements are presented. X ray backlighting of one x-pinch by another with ∼30 ps x-ray pulses enables the dynamics and kinetics to be correlated in time

A Noncontact Measurement Technique for the Density and Thermal Expansion Coefficient of Solid and Liquid Materials

Science.gov (United States)

Chung, Sang K.; Thiessen, David B.; Rhim, Won-Kyu

1996-01-01

A noncontact measurement technique for the density and the thermal expansion refractory materials in their molten as well as solid phases is presented. This technique is based on the video image processing of a levitated sample. Experiments were performed using the high-temperature electrostatic levitator (HTESL) at the Jet Propulsion Laboratory in which 2-3 mm diameter samples can be levitated, melted, and radiatively cooled in a vacuum. Due to the axisymmetric nature of the molten samples when levitated in the HTESL, a rather simple digital image analysis can be employed to accurately measure the volumetric change as a function of temperature. Density and the thermal expansion coefficient measurements were made on a pure nickel sample to test the accuracy of the technique in the temperature range of 1045-1565 C. The result for the liquid phase density can be expressed by p = 8.848 + (6.730 x 10(exp -4)) x T (degC) g/cu cm within 0.8% accuracy, and the corresponding thermal expansion coefficient can be expressed by Beta=(9.419 x 10(exp -5)) - (7.165 x 10(exp -9) x T (degC)/K within 0.2% accuracy.

All-solid-state asymmetric supercapacitors based on Fe-doped mesoporous Co3O4 and three-dimensional reduced graphene oxide electrodes with high energy and power densities.

Science.gov (United States)

Zhang, Cheng; Wei, Jun; Chen, Leiyi; Tang, Shaolong; Deng, Mingsen; Du, Youwei

2017-10-19

An asymmetric supercapacitor offers opportunities to effectively utilize the full potential of the different potential windows of the two electrodes for a higher operating voltage, resulting in an enhanced specific capacitance and significantly improved energy without sacrificing the power delivery and cycle life. To achieve high energy and power densities, we have synthesized an all-solid-state asymmetric supercapacitor with a wider voltage range using Fe-doped Co 3 O 4 and three-dimensional reduced graphene oxide (3DrGO) as the positive and negative electrodes, respectively. In contrast to undoped Co 3 O 4 , the increased density of states and modified charge spatial separation endow the Fe-doped Co 3 O 4 electrode with greatly improved electrochemical capacitive performance, including high specific capacitance (1997 F g -1 and 1757 F g -1 at current densities of 1 and 20 A g -1 , respectively), excellent rate capability, and superior cycling stability. Remarkably, the optimized all-solid-state asymmetric supercapacitor can be cycled reversibly in a wide range of 0-1.8 V, thus delivering a high energy density (270.3 W h kg -1 ), high power density (9.0 kW kg -1 at 224.2 W h kg -1 ), and excellent cycling stability (91.8% capacitance retention after 10 000 charge-discharge cycles at a constant current density of 10 A g -1 ). The superior capacitive performance suggests that such an all-solid-state asymmetric supercapacitor shows great potential for developing energy storage systems with high levels of energy and power delivery.

Quantitative density measurements from a real-time neutron radiography system

International Nuclear Information System (INIS)

McRae, D.D.; Jenkins, R.W. Jr.; Brenizer, J.S.; Tobin, K.W.; Hosticka, B.; Sulcoski, M.F.

1986-01-01

An advanced video system has been assembled from commercially available equipment to support the real-time neutron radiography facility established jointly by the University of Virginia Department of Nuclear Engineering and Engineering Physics, and the Philip Morris Research Center. A schematic diagram of the equipment used for real-time neutron radiography is presented. To obtain quantitative density measurements with this system, several modifications of both hardware and image processing software were required. After implementation of these changes, the system was capable of determining material densities by measuring the degree of neutron attenuation

Adsorption of short-chain fluids at solid substrates from density functional theory

International Nuclear Information System (INIS)

Bryk, P.; Bucior, K.; Sokolowski, S.; Zukocinski, G.

2005-01-01

We use microscopic density functional theory to investigate the adsorption of short-chains at solid surfaces. The fluid is modeled as freely-jointed tangent spheres that interact via a short-ranged attractive potential. Within the framework of fundamental measure theory we study how the structure and surface phase behaviour of adsorbed fluid changes when the chain length is increased. We observe that the wetting temperature rescaled by the bulk critical temperature decreases with an increase of the chain length. For longer chains this temperature reaches a plateau. For the surface critical temperature an inverse effect is observed, i.e. the surface critical temperature increases with the chain length and then attains a plateau. Furthermore, we analyze how the layering transitions change with the change of the chain length and with relative strength of the fluid-solid interaction. The critical temperature of the first layering transition, rescaled by the bulk critical temperature increases slightly with an increase of the chain length. We have found that for longer chains the layering transitions within consecutive layers are shifted towards very low temperatures and that their sequence is finally replaced by a single transition. Finally we investigate capillary condensation of chain fluid in slit-like pores. We find that for a fluid of chains consisting of a larger number of segments we observe an inversion effect. Namely, the critical temperature of capillary condensation decreases with increasing pore width for a certain interval of values of the pore width. This anomalous behavior is also influenced by the interaction between molecules and pore walls. (author)

A Fast Density-Based Clustering Algorithm for Real-Time Internet of Things Stream

Science.gov (United States)

Ying Wah, Teh

2014-01-01

Data streams are continuously generated over time from Internet of Things (IoT) devices. The faster all of this data is analyzed, its hidden trends and patterns discovered, and new strategies created, the faster action can be taken, creating greater value for organizations. Density-based method is a prominent class in clustering data streams. It has the ability to detect arbitrary shape clusters, to handle outlier, and it does not need the number of clusters in advance. Therefore, density-based clustering algorithm is a proper choice for clustering IoT streams. Recently, several density-based algorithms have been proposed for clustering data streams. However, density-based clustering in limited time is still a challenging issue. In this paper, we propose a density-based clustering algorithm for IoT streams. The method has fast processing time to be applicable in real-time application of IoT devices. Experimental results show that the proposed approach obtains high quality results with low computation time on real and synthetic datasets. PMID:25110753

Continuous time random walk model with asymptotical probability density of waiting times via inverse Mittag-Leffler function

Science.gov (United States)

Liang, Yingjie; Chen, Wen

2018-04-01

The mean squared displacement (MSD) of the traditional ultraslow diffusion is a logarithmic function of time. Recently, the continuous time random walk model is employed to characterize this ultraslow diffusion dynamics by connecting the heavy-tailed logarithmic function and its variation as the asymptotical waiting time density. In this study we investigate the limiting waiting time density of a general ultraslow diffusion model via the inverse Mittag-Leffler function, whose special case includes the traditional logarithmic ultraslow diffusion model. The MSD of the general ultraslow diffusion model is analytically derived as an inverse Mittag-Leffler function, and is observed to increase even more slowly than that of the logarithmic function model. The occurrence of very long waiting time in the case of the inverse Mittag-Leffler function has the largest probability compared with the power law model and the logarithmic function model. The Monte Carlo simulations of one dimensional sample path of a single particle are also performed. The results show that the inverse Mittag-Leffler waiting time density is effective in depicting the general ultraslow random motion.

Out-of-Time-Ordered Density Correlators in Luttinger Liquids.

Science.gov (United States)

Dóra, Balázs; Moessner, Roderich

2017-07-14

Information scrambling and the butterfly effect in chaotic quantum systems can be diagnosed by out-of-time-ordered (OTO) commutators through an exponential growth and large late time value. We show that the latter feature shows up in a strongly correlated many-body system, a Luttinger liquid, whose density fluctuations we study at long and short wavelengths, both in equilibrium and after a quantum quench. We find rich behavior combining robustly universal and nonuniversal features. The OTO commutators display temperature- and initial-state-independent behavior and grow as t^{2} for short times. For the short-wavelength density operator, they reach a sizable value after the light cone only in an interacting Luttinger liquid, where the bare excitations break up into collective modes. This challenges the common interpretation of the OTO commutator in chaotic systems. We benchmark our findings numerically on an interacting spinless fermion model in 1D and find persistence of central features even in the nonintegrable case. As a nonuniversal feature, the short-time growth exhibits a distance-dependent power.

Method for making a low density polyethylene waste form for safe disposal of low level radioactive material

Science.gov (United States)

Colombo, P.; Kalb, P.D.

1984-06-05

In the method of the invention low density polyethylene pellets are mixed in a predetermined ratio with radioactive particulate material, then the mixture is fed through a screw-type extruder that melts the low density polyethylene under a predetermined pressure and temperature to form a homogeneous matrix that is extruded and separated into solid monolithic waste forms. The solid waste forms are adapted to be safely handled, stored for a short time, and safely disposed of in approved depositories.

Decay of hollow states in time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Wismarsche Str. 43-45, Universitaet Rostock, Rostock-18051 (Germany)

2012-07-01

Hollow or multiply excited states are inaccessible in time dependent density functional theory (TDDFT) using adiabatic Kohn-Sham potentials. We determine the exact Kohn Sham (KS) potential for doubly excited states in an exactly solvable model Helium atom. The exact single-particle density corresponds to the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose origin is traced back to phase of the exact KS orbital. The potential controls the barrier height and width in order for the density to tunnel out and decay with the same rate as the doubly excited state in the ab initio time-dependent Schroedinger calculation. Instead, adiabatic KS potentials only show direct photoionization but no autoionization. A frequency-dependent linear response kernel would be necessary in order to capture the decay of autoionizing states.

Real-time control of the plasma density profile on ASDEX upgrade

International Nuclear Information System (INIS)

Mlynek, Alexander

2010-01-01

The tokamak concept currently is the most promising approach to future power generation by controlled thermonuclear fusion. The spatial distribution of the particle density in the toroidally confined fusion plasma is of particular importance. This thesis work therefore focuses on the question as to what extent the shape of the density profile can be actively controlled by a feedback loop in the fusion experiment ASDEX Upgrade. There are basically two essential requirements for such feedback control of the density profile, which has been experimentally demonstrated within the scope of this thesis work: On the one hand, for this purpose the density profile must be continuously calculated under real-time constraints during a plasma discharge. The calculation of the density profile is based on the measurements of a sub-millimeter interferometer, which provides the line-integrated electron density along 5 chords through the plasma. Interferometric density measurements can suffer from counting errors by integer multiples of 2π when detecting the phase difference between a probing and a reference beam. As such measurement errors have severe impact on the reconstructed density profile, one major part of this work consists in the development of new readout electronics for the interferometer, which allows for detection of such measurement errors in real-time with high reliability. A further part of this work is the design of a computer algorithm which reconstructs the spatial distribution of the plasma density from the line-integrated measurements. This algorithm has to be implemented on a computer which communicates the measured data to other computers in real-time, especially to the tokamak control system. On the other hand, a second fundamental requirement for the successful implementation of a feedback controller is the identification of at least one actuator which enables a modification of the density profile. Here, electron cyclotron resonance heating (ECRH) has been

Dynamics of Laser-Driven Shock Waves in Solid Targets

Science.gov (United States)

Aglitskiy, Y.; Karasik, M.; Velikovich, A. L.; Serlin, V.; Weaver, J.; Schmitt, A. J.; Obenschain, S. P.; Grun, J.; Metzler, N.; Zalesak, S. T.; Gardner, J. H.; Oh, J.; Harding, E. C.

2009-11-01

Accurate shock timing is a key issue of both indirect- and direct-drive laser fusions. The experiments on the Nike laser at NRL presented here were made possible by improvements in the imaging capability of our monochromatic x-ray diagnostics based on Bragg reflection from spherically curved crystals. Side-on imaging implemented on Nike makes it possible to observe dynamics of the shock wave and ablation front in laser-driven solid targets. We can choose to observe a sequence of 2D images or a continuous time evolution of an image resolved in one spatial dimension. A sequence of 300 ps snapshots taken using vanadium backlighter at 5.2 keV reveals propagation of a shock wave in a solid plastic target. The shape of the shock wave reflects the intensity distribution in the Nike beam. The streak records with continuous time resolution show the x-t trajectory of a laser-driven shock wave in a 10% solid density DVB foam.

XUV Absorption by Solid Density Aluminum

Energy Technology Data Exchange (ETDEWEB)

Iglesias, C A

2009-09-21

An inverse bremsstrahlung model for plasmas and simple metals that approximates the cold, solid Al experimental data below the L-edge is applied to matter conditions relevant to XUV laser applications. The model involves an all-order calculation using a semi-analytical effective electron-ion interaction. The predicted increases in XUV absorption with rising temperature occur via two effects: increased availability of final states from reduced electron degeneracy and a stronger electron-ion interaction from reduced screening. Discrepancies in the temperature dependence as well as other details between the present approach and a recently proposed absorption model are discussed.

Probe initial parton density and formation time via jet quenching

International Nuclear Information System (INIS)

Wang, Xin-Nian

2002-01-01

Medium modification of jet fragmentation function due to multiple scattering and induced gluon radiation leads directly to jet quenching or suppression of leading particle distribution from jet fragmentation. One can extract an effective total parton energy loss which can be related to the total transverse momentum broadening. For an expanding medium, both are shown to be sensitive to the initial parton density and formation time. Therefore, one can extract the initial parton density and formation time from simultaneous measurements of parton energy loss and transverse momentum broadening. Implication of the recent experimental data on effects of detailed balance in parton energy loss is also discussed

Universal time dependence of nighttime F region densities at high latitudes

International Nuclear Information System (INIS)

Beaujardiere, O.D.L.; Wickwar, V.B.; Caudal, G.

1985-01-01

Coordinated EISCAT, Chatanika, and Millstone Hill incoherent scatter radar observations have revealed that in the auroral zone, the nighttime F region densities vary substantially with the longitude of the observing site: EISCAT's densities are the largest and Millstone Hill's are the lowest. The nighttime F region densities measured by the individual radars are not uniform: the regions where the densities are maximum are the so-called ''blobs'' or ''patches'' that have been reported previously. The observations are consistent with the hypothesis that the nighttime densities are produced in significant amounts not by particle precipitation, but by solar EUV radiation, and that they have been transported across the polar cap. The observed differences can be explained by the offset of the geographic and geomagnetic poles. A larger portion of the magnetospheric convection pattern is sunlit when EISCAT is in the midnight sector than when Chatanika is. In winter, when Millstone Hill is in the midnight sector, almost all the auroral oval is in darkness. This universal time effect, which was observed on all coordinated three-radar experiments (September 1981 to February 1982), is illustrated using two periods of coincident radar and satellite observations: November 18--19, and December 15--16, 1981. These two periods were selected because they corresponded to relatively steady conditions. Dynamics Explorer (DE) measurements are used to aid in interpreting the radar observations. De 1 auroral images show what portion of the oval was sunlit. DE 2 data are used to measure the ion drift across the polar cap. Because the altitude of the ionization peak was high, the decay time of the F region density was substantially longer than the transit time across the polar cap

Time dependent density matrix theory and effective interaction

Energy Technology Data Exchange (ETDEWEB)

Tohyama, Mitsuru [Kyorin Univ., Mitaka, Tokyo (Japan). School of Medicine

1998-07-01

A correlated ground state of {sup 16}O and an E2 giant resonance built on it are calculated using an extended version of the time-dependent Hartree-Fock theory called the time-dependent density-matrix theory (TDDM). The Skyrme force is used in the calculation of both a mean field and two-body correlations. It is found that TDDM gives reasonable ground-state correlations and a large spreading width of the E2 giant resonance when single-particle states in the continuum are treated appropriately. (author)

Elasticity and Density of Paleozoic Shales from Bornholm

DEFF Research Database (Denmark)

Fabricius, Ida Lykke; Haugwitz, C.; Larsen, Pernille Birkelund

2017-01-01

Darcy. We found that solid density and elastic stiffness parameters only vary insignificantly with solid composition, when TOC is lower than 5%, but that mass density and TOC are correlated when TOC is higher than 5%. A similar correlation was not seen for TOC and Sonic logging data. A reason can...

Studies on steps affecting tritium residence time in solid blanket

International Nuclear Information System (INIS)

Tanaka, Satoru

1987-01-01

For the self sustaining of CTR fuel cycle, the effective tritium recovery from blankets is essential. This means that not only tritium breeding ratio must be larger than 1.0, but also high recovering speed is required for the short residence time of tritium in blankets. Short residence time means that the tritium inventory in blankets is small. In this paper, the tritium residence time and tritium inventory in a solid blanket are modeled by considering the steps constituting tritium release. Some of these tritium migration processes were experimentally evaluated. The tritium migration steps in a solid blanket using sintered breeding materials consist of diffusion in grains, desorption at grain edges, diffusion and permeation through grain boundaries, desorption at particle edges, diffusion and percolation through interconnected pores to purging stream, and convective mass transfer to stream. Corresponding to these steps, diffusive, soluble, adsorbed and trapped tritium inventories and the tritium in gas phase are conceivable. The code named TTT was made for calculating these tritium inventories and the residence time of tritium. An example of the results of calculation is shown. The blanket is REPUTER-1, which is the conceptual design of a commercial reversed field pinch fusion reactor studied at the University of Tokyo. The experimental studies on the migration steps of tritium are reported. (Kako, I.)

Acceleration of a solid-density plasma projectile to ultrahigh velocities by a short-pulse ultraviolet laser

Energy Technology Data Exchange (ETDEWEB)

Badziak, J.; Jablonski, S. [Institute of Plasma Physics and Laser Microfusion, Euratom Association, 01-497 Warsaw (Poland)

2011-08-15

It is shown by means of particle-in-cell simulations that a high-fluence ({>=}1 GJ/cm{sup 2}) solid-density plasma projectile can be accelerated up to sub-relativistic velocities by radiation pressure of an ultraviolet (UV) picosecond laser pulse of moderate values of dimensionless laser amplitude a{sub 0}{approx}10. The efficiency of acceleration by the UV laser is significantly higher than in the case of long-wavelength ({lambda} {approx} 1 {mu}m) driver of a comparable value of a{sub 0}, and the motion of the projectile is fairly well described by the ''Light Sail'' acceleration model.

Design and Characterisation of Solid Electrolytes for All-Solid-State Lithium Batteries

DEFF Research Database (Denmark)

Sveinbjörnsson, Dadi Þorsteinn

The development of all-solid-state lithium batteries, in which the currently used liquid electrolytes are substituted for solid electrolyte materials, could lead to safer batteries offering higher energy densities and longer cycle lifetimes. Designing suitable solid electrolytes with sufficient...... chemical and electrochemical stability, high lithium ion conduction and negligible electronic conduction remains a challenge. The highly lithium ion conducting LiBH4-LiI solid solution is a promising solid electrolyte material. Solid solutions with a LiI content of 6.25%-50% were synthesised by planetary......-rich microstructures during ball milling is found to significantly influence the conductivity of the samples. The long-range diffusion of lithium ions was measured using quasi-elastic neutron scattering. The solid solutions are found to exhibit two-dimensional conduction in the hexagonal plane of the crystal structure...

Solid Oxide Electrolyser Cell

DEFF Research Database (Denmark)

Jensen, Søren Højgaard

Solid oxide fuel cells (SOFCs) produced at Risø National Laboratory was tested as steam electrolysers under various current densities, operating temperatures and steam partial pressures. At 950 °C and a cell voltage of 1.48V the current density was -3.6A/cm2 with app. 30% H2 + 70% H2O in the inlet...... it is possible to achieve a production price of 0.7 US$/kg H2 with an electricity price of 1.3 US¢/kWh. The cell voltage was measured as function of time. In test ofabout two month of duration a long-term degradation was observed. At 850 °C, -0.5 A/cm2 with 50 vol% H2 the degradation rate was app. 20 mV/1000h...

Stationary solution of a time dependent density matrix formalism

International Nuclear Information System (INIS)

Tohyama, Mitsuru

1994-01-01

A stationary solution of a time-dependent density-matrix formalism, which is an extension of the time-dependent Hartree-Fock theory to include the effects of two-body correlations, is obtained for the Lipkin model hamiltonian, using an adiabatic treatment of the two-body interaction. It is found that the obtained result is a reasonable approximation for the exact solution of the model. (author)

Review on solid electrolytes for all-solid-state lithium-ion batteries

Science.gov (United States)

Zheng, Feng; Kotobuki, Masashi; Song, Shufeng; Lai, Man On; Lu, Li

2018-06-01

All-solid-state (ASS) lithium-ion battery has attracted great attention due to its high safety and increased energy density. One of key components in the ASS battery (ASSB) is solid electrolyte that determines performance of the ASSB. Many types of solid electrolytes have been investigated in great detail in the past years, including NASICON-type, garnet-type, perovskite-type, LISICON-type, LiPON-type, Li3N-type, sulfide-type, argyrodite-type, anti-perovskite-type and many more. This paper aims to provide comprehensive reviews on some typical types of key solid electrolytes and some ASSBs, and on gaps that should be resolved.

Procedure for Uranium-Molybdenum Density Measurements and Porosity Determination

Energy Technology Data Exchange (ETDEWEB)

Prabhakaran, Ramprashad [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Devaraj, Arun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Joshi, Vineet V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2016-08-13

The purpose of this document is to provide guidelines for preparing uranium-molybdenum (U-Mo) specimens, performing density measurements, and computing sample porosity. Typical specimens (solids) will be sheared to small rectangular foils, disks, or pieces of metal. A mass balance, solid density determination kit, and a liquid of known density will be used to determine the density of U-Mo specimens using the Archimedes principle. A standard test weight of known density would be used to verify proper operation of the system. By measuring the density of a U-Mo sample, it is possible to determine its porosity.

The separation of solid and liquid components of mixtures

International Nuclear Information System (INIS)

Hunter, W.M.

1980-01-01

An improved method of separating solid and liquid components of mixtures is described which is particularly suited for use in automated radioimmunoassay systems in the analysis of bound and free fractions. A second liquid, having a density intermediate between those of the solid and liquid components, is delivered to the solid/ liquid mixture to form a discrete layer below the mixture and the solid separates into this lower liquid layer assisted by centrifugal force. The second liquid of intermediate density is an aqueous solution of a highly hydrophilic and electrically non-polar solute, such as an aqueous sucrose solution. Further liquids of intermediate density and progressively higher density may be delivered to form further discrete layers below the initial layer of the second dense liquid. After separation of the solid and liquid components of the mixture, the supernatant liquid component of the original mixture is removed in a controlled and non-turbulent manner. The method is illustrated in radioimmunoassays for platelet β-thromboglobulin and human follicle stimulating hormone. (U.K.)

Pyrolysis of Medium Density Fiberboard (MDF) wastes in a screw reactor

International Nuclear Information System (INIS)

Ferreira, Suelem Daiane; Altafini, Carlos Roberto; Perondi, Daniele; Godinho, Marcelo

2015-01-01

Highlights: • Medium Density Fiberboard wastes were pirolized in an auger reactor. • Experiments were carried out at two reaction temperatures and three solid residence times. • Yields were influenced by pyrolysis temperature, as well as by solid residence time. • Higher temperature produced more bio-oil rather than char generation. • Chars superficial area were compatibles with those of commercial activated carbons. - Abstract: Medium Density Fiberboard (MDF) wastes were undergoes via a thermal treatment through of a pyrolysis process. Pyrolysis was carried out in a pilot scale reactor with screw conveyor at two reaction temperatures (450 and 600 °C) and, for each one, three solid residence times (9, 15 and 34 min) were evaluated. Products (char/bio-oil/fuel gas) of the pyrolysis process were characterized and quantified. Results revealed that the products yields were influenced by pyrolysis temperature, as well as by solid residence time. Char yield ranged between 17.3 and 39.7 (wt.%), the bio-oil yield ranged between 23.9 and 40.0 (wt.%), while the fuel gas yield ranged between 34.6 and 50.7 (wt.%). The samples surface area at 450 and 600 °C in 15-min residence time were surprisingly high, 415 and 593 m 2 g −1 , respectively, which are compatible with the superficial area of commercial activated carbons. Energetic efficiency of process was estimated from energetic content present in the reaction products and the energetic content of MDF wastes, and the following results were obtained: 41.4% (fuel gas), 35.5% (char) and 29.2% (bio-oil). The contribution of this work is the development of a detailed study of the MDF pyrolysis in a pilot reactor with screw conveyor that supports the biorefineries concept

Simulating variable-density flows with time-consistent integration of Navier-Stokes equations

Science.gov (United States)

Lu, Xiaoyi; Pantano, Carlos

2017-11-01

In this talk, we present several features of a high-order semi-implicit variable-density low-Mach Navier-Stokes solver. A new formulation to solve pressure Poisson-like equation of variable-density flows is highlighted. With this formulation of the numerical method, we are able to solve all variables with a uniform order of accuracy in time (consistent with the time integrator being used). The solver is primarily designed to perform direct numerical simulations for turbulent premixed flames. Therefore, we also address other important elements, such as energy-stable boundary conditions, synthetic turbulence generation, and flame anchoring method. Numerical examples include classical non-reacting constant/variable-density flows, as well as turbulent premixed flames.

Real-time boronization in PBX-M using erosion of solid boronized targets

International Nuclear Information System (INIS)

Kugel, H.W.; Timberlake, J.; Bell, R.; LeBlanc, B.; Okabayashi, M.; Paul, S.; Tighe, W.; Hirooka, Y.

1994-11-01

Thirty one real-time boronizations were applied to PBX-M using the plasma erosion of solid target probes. More than 17 g of boron were deposited in PBX-M using this technique. The probes were positioned at the edge plasma to optimize vaporization and minimize spallation. Auger depth profile analysis of poloidal and toroidal deposition sample coupon arrays indicate that boron was transported by the plasma around the torus and deep into the divertors. During discharges with continuous real-time boronization, low-Z and high-Z impurities decreased rapidly as plasma surfaces were covered during the first 20-30 discharges. After boronization, a short-term improvement in plasma conditions persisted prior to significant boron erosion from plasma surfaces, and a longer term, but less significant improvement persisted as boron farther from the edge continued gettering. Real-time solid target boronization has been found to be very effective for accelerating conditioning to new regimes and maintaining high performance plasma conditions

Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

DEFF Research Database (Denmark)

Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

2009-01-01

Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

Study of combustion properties of a solid propellant by highly time-resolved passive FTIR

Energy Technology Data Exchange (ETDEWEB)

Zhang, Liming; Zhang, Lin; Li, Yan; Liu, Bingping; Wang, Junde [Laboratory of Advanced Spectroscopy, Nanjing University of Science and Technology, Nanjing 210014 (China)

2006-10-15

With a time resolution of 0.125 s and a spectral resolution of 4 cm{sup -1}, emission spectra of the combustion process of a solid propellant were recorded by highly time-resolved passive FTIR. Some gaseous combustion products, such as H{sub 2}O, CO, CO{sub 2}, NO and HCl, were distinguished by the characteristic emission band of each molecule. The equation for flame temperature calculation based on the diatomic molecule emission fine structure theory was improved through judicious utilization of the spectral running number 'm' which makes the temperature measurement simpler and faster. Some combustion information of the solid propellant had been given including the characteristic spectral profile, the distribution of the absolute spectral energy, the distribution of the combustion flame temperature, and the concentration distributions of HCl and NO versus burning time. The results will provide theoretical and experimental bases for improving the formula and raising combustion efficiency of solid propellant, and developing the design of rocket motor, infrared guidance and antiguidance systems. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

A high-temperature furnace and a heating/drawing device designed for time-resolved X-ray diffraction measurements of polymer solids using imaging plates

International Nuclear Information System (INIS)

Murakami, Syozo; Tanno, Kiyomitsu; Tsuji, Masaki; Kohjiya, Shinzo

1995-01-01

For time-resolved X-ray diffraction measurements using the imaging plate system in the drawing and/or heating process of polymer solids, a high-temperature furnace for heat treatment and a heating/drawing device were newly designed and constructed. Then, to demonstrate their performance, some experimental results obtained in the drawing process of an extruded/blown film of high-density polyethylene at room temperature and in the crystallization process of an oriented amorphous film of poly(ethylene naphthalene-2,6-dicarboxylate) by heating were presented. Other experimental results obtained using them were also briefly cited. (author)

Time-dependent quantum fluid density functional theory of hydrogen ...

Indian Academy of Sciences (India)

A time-dependent generalized non-linear Schrödinger equation (GNLSE) of motion was earlier derived in our laboratory by combining density functional theory and quantum fluid dynamics in threedimensional space. In continuation of the work reported previously, the GNLSE is applied to provide additional knowledge on ...

Wavelet-based linear-response time-dependent density-functional theory

Science.gov (United States)

Natarajan, Bhaarathi; Genovese, Luigi; Casida, Mark E.; Deutsch, Thierry; Burchak, Olga N.; Philouze, Christian; Balakirev, Maxim Y.

2012-06-01

Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BIGDFT and results are compared against those obtained with the all-electron Gaussian-type orbital program DEMON2K for the calculation of electronic absorption spectra of N2 using the TD local density approximation (LDA). The two programs give comparable excitation energies and absorption spectra once suitably extensive basis sets are used. Convergence of LDA density orbitals and orbital energies to the basis-set limit is significantly faster for BIGDFT than for DEMON2K. However the number of virtual orbitals used in TD-DFT calculations is a parameter in BIGDFT, while all virtual orbitals are included in TD-DFT calculations in DEMON2K. As a reality check, we report the X-ray crystal structure and the measured and calculated absorption spectrum (excitation energies and oscillator strengths) of the small organic molecule N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1, 2-a]pyridin-3-amine.

Timing of solid food introduction and obesity: Hong Kong's "children of 1997" birth cohort.

Science.gov (United States)

Lin, Shi Lin; Leung, Gabriel M; Lam, Tai Hing; Schooling, C Mary

2013-05-01

Some observational studies in Western settings show that early introduction of solid food is associated with subsequent obesity. However, introduction of solid food and obesity share social patterning. We examined the association of the timing of the introduction of solid food with BMI and overweight (including obesity) into adolescence in a developed non-Western setting, in which childhood obesity is less clearly socially patterned. We used generalized estimating equation models to estimate the adjusted associations of the timing of the introduction of solid food (8 months) with BMI z score and overweight (including obesity) at different growth phases (infancy, childhood, and puberty) in 7809 children (88% follow-up) from a Chinese birth cohort, "Children of 1997." We assessed if the associations varied with gender or breastfeeding. We used multiple imputation for missing exposure and confounders. The introduction of solid food at associated with lower family socioeconomic position (SEP) but was not clearly associated with BMI or overweight (including obesity) in infancy [mean difference in BMI z score: 0.01; 95% confidence interval (CI): -0.14 to 0.17], childhood (0.14; 95% CI: -0.11 to 0.40), or at puberty (0.22; 95% CI: -0.07 to 0.52), adjusted for SEP and infant and maternal characteristics. In a non-Western developed setting, there was no clear association of the early introduction of solid food with childhood obesity. Together with the inconsistent evidence from studies in Western settings, this finding suggests that any observed associations might simply be residual confounding by SEP.

The radiation chemistry of organic solids

International Nuclear Information System (INIS)

Willard, J.E.

1987-01-01

The yields of primary products (ions, electrons, and excited state) produced by exposure of an organic compound to ionizing radiation are essentially independent of whether it is in the gas, liquid, or solid state. However, the nature and yields of the final products are often dependent on the state. This is the result of the effects of density and temperature on the relative probabilities of competing reactions of the primary species and of the radicals which they produce. The density effects are of two types. First, the dose proximity of neighboring molecules in the solid favors reactivation rather than decomposition of excited molecules and favors prompt recombination in the parent cage of the fragments of any that do decompose. Second, since the distance traveled by an energetic electron is depositing its energy is inversely proportional to the density of the medium, the tracks are shorter and the spur radii smaller in the solid than in the liquid (and in great contrast to the gas, where spur effects are negligible). The increased role of intraspur reactions of radicals, electrons, and cations in solids is shown by the results discussed in this chapter

Mathematical modeling of current density distribution in composite cathode of solid oxide fuel cells. Paper no. IGEC-1-099

International Nuclear Information System (INIS)

Kenney, B.; Karan, K.

2005-01-01

Cathodes processes in a solid oxide fuel cell (SOFC) are thought to dominate the overall electrochemical losses. One strategy for minimizing the cathode electrochemical losses in a state-of-the-art SOFC that utilize lanthanum-strontium-manganate (LSM) electrocatalyst and yttria-stabilized-zirconia (YSZ) electrolyte is to utilize composite cathodes comprising a mixture of LSM and YSZ. Composite cathodes improve performance by extending the active reaction zone from electrolyte-electrode interface to throughout the electrode. In this study, a two-dimensional composite cathode model was developed to assess cathode performance in terms of current density distributions. The model results indicate that geometric and microstructural parameters strongly influence current density distribution. In addition electrode composition affects magnitude and distribution of current. An optimum composition for equal-sized LSM/YSZ is 40 vol% LSM and 60 vol% YSZ at 900 o C. (author)

Critique of the foundations of time-dependent density-functional theory

International Nuclear Information System (INIS)

Schirmer, J.; Dreuw, A.

2007-01-01

The general expectation that, in principle, the time-dependent density-functional theory (TDDFT) is an exact formulation of the time evolution of an interacting N-electron system is critically reexamined. It is demonstrated that the previous TDDFT foundation, resting on four theorems by Runge and Gross (RG) [Phys. Rev. Lett. 52, 997 (1984)], is invalid because undefined phase factors corrupt the RG action integral functionals. Our finding confirms much of a previous analysis by van Leeuwen [Int. J. Mod. Phys. B 15, 1969 (2001)]. To analyze the RG theorems and other aspects of TDDFT, an utmost simplification of the Kohn-Sham (KS) concept has been introduced, in which the ground-state density is obtained from a single KS equation for one spatial (spinless) orbital. The time-dependent (TD) form of this radical Kohn-Sham (rKS) scheme, which has the same validity status as the ordinary KS version, has proved to be a valuable tool for analysis. The rKS concept is used to clarify also the alternative nonvariational formulation of TD KS theory. We argue that it is just a formal theory, allowing one to reproduce but not predict the time development of the exact density of the interacting N-electron system. Besides the issue of the formal exactness of TDDFT, it is shown that both the static and time-dependent KS linear response equations neglect the particle-particle (p-p) and hole-hole (h-h) matrix elements of the perturbing operator. For a local (multiplicative) operator this does not lead to a loss of information due to a remarkable general property of local operators. Accordingly, no logical inconsistency arises with respect to DFT, because DFT requires any external potential to be local. For a general nonlocal operator the error resulting from the neglected matrix elements is of second order in the electronic repulsion

Time-dependent density-functional theory in the projector augmented-wave method

DEFF Research Database (Denmark)

Walter, Michael; Häkkinen, Hannu; Lehtovaara, Lauri

2008-01-01

We present the implementation of the time-dependent density-functional theory both in linear-response and in time-propagation formalisms using the projector augmented-wave method in real-space grids. The two technically very different methods are compared in the linear-response regime where we...

Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function

DEFF Research Database (Denmark)

Lacevic, N.; Starr, F. W.; Schrøder, Thomas

2003-01-01

correlation function g4(r,t) and corresponding "structure factor" S4(q,t) which measure the spatial correlations between the local liquid density at two points in space, each at two different times, and so are sensitive to dynamical heterogeneity. We study g4(r,t) and S4(q,t) via molecular dynamics......Relaxation in supercooled liquids above their glass transition and below the onset temperature of "slow" dynamics involves the correlated motion of neighboring particles. This correlated motion results in the appearance of spatially heterogeneous dynamics or "dynamical heterogeneity." Traditional...... two-point time-dependent density correlation functions, while providing information about the transient "caging" of particles on cooling, are unable to provide sufficiently detailed information about correlated motion and dynamical heterogeneity. Here, we study a four-point, time-dependent density...

Solid-state framing camera with multiple time frames

Energy Technology Data Exchange (ETDEWEB)

Baker, K. L.; Stewart, R. E.; Steele, P. T.; Vernon, S. P.; Hsing, W. W.; Remington, B. A. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

2013-10-07

A high speed solid-state framing camera has been developed which can operate over a wide range of photon energies. This camera measures the two-dimensional spatial profile of the flux incident on a cadmium selenide semiconductor at multiple times. This multi-frame camera has been tested at 3.1 eV and 4.5 keV. The framing camera currently records two frames with a temporal separation between the frames of 5 ps but this separation can be varied between hundreds of femtoseconds up to nanoseconds and the number of frames can be increased by angularly multiplexing the probe beam onto the cadmium selenide semiconductor.

Three-dimensional nitrogen and boron co-doped graphene for high-performance all-solid-state supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Wu, Zhong-Shuai; Chen, Long; Sun, Yi; Muellen, Klaus [Max-Planck-Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); Winter, Andreas; Turchanin, Andrey [Universitaet Bielefeld, Fakultaet fuer Physik, Physik Supramolekularer Systeme und Oberflaechen, Universitaetsstr. 25D, 33615 Bielefeld (Germany); Feng, Xinliang [Max-Planck-Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, 200240, Shanghai (China)

2012-09-25

A simplified prototype device of high-performance all-solid-state supercapacitors (ASSSs) based on 3D nitrogen and boron co-doped monolithic graphene aerogels (BN-GAs) is demonstrated for the first time. The resulting ASSSs show high specific capacitance, good rate capability, and enhanced energy density or power density. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Accessing the bottleneck in all-solid state batteries, lithium-ion transport over the solid-electrolyte-electrode interface

NARCIS (Netherlands)

Yu, C.; Ganapathy, S.; van Eck, Ernst R H; Wang, H.; Basak, S.; Li, Z.; Wagemaker, M.

2017-01-01

Solid-state batteries potentially offer increased lithium-ion battery energy density and safety as required for large-scale production of electrical vehicles. One of the key challenges toward high-performance solid-state batteries is the large impedance posed by the electrode-electrolyte

Creation of Novel Solid-Solution Alloy Nanoparticles on the Basis of Density-of-States Engineering by Interelement Fusion.

Science.gov (United States)

Kobayashi, Hirokazu; Kusada, Kohei; Kitagawa, Hiroshi

2015-06-16

Currently 118 known elements are represented in the periodic table. Of these 118 elements, only about 80 elements are stable, nonradioactive, and widely available for our society. From the viewpoint of the "elements strategy", we need to make full use of the 80 elements to bring out their latent ability and create innovative materials. Furthermore, there is a strong demand that the use of rare or toxic elements be reduced or replaced while their important properties are retained. Advanced science and technology could create higher-performance materials even while replacing or reducing minor or harmful elements through the combination of more abundant elements. The properties of elements are correlated directly with their electronic states. In a solid, the magnitude of the density of states (DOS) at the Fermi level affects the physical and chemical properties. In the present age, more attention has been paid to improving the properties of materials by means of alloying elements. In particular, the solid-solution-type alloy is advantageous because the properties can be continuously controlled by tuning the compositions and/or combinations of the constituent elements. However, the majority of bulk alloys are of the phase-separated type under ambient conditions, where constituent elements are immiscible with each other. To overcome the challenge of the bulk-phase metallurgical aspects, we have focused on the nanosize effect and developed methods involving "nonequilibrium synthesis" or "a process of hydrogen absorption/desorption". We propose a new concept of "density-of-states engineering" for the design of materials having the most desirable and suitable properties by means of "interelement fusion". In this Account, we describe novel solid-solution alloys of Pd-Pt, Ag-Rh, and Pd-Ru systems in which the constituent elements are immiscible in the bulk state. The homogeneous solid-solution alloys of Pd and Pt were created from Pd core/Pt shell nanoparticles using a

Timing of solid food introduction and association with later childhood overweight and obesity: The IDEFICS study.

Science.gov (United States)

Papoutsou, Stalo; Savva, Savvas C; Hunsberger, Monica; Jilani, Hannah; Michels, Nathalie; Ahrens, Wolfgang; Tornaritis, Michael; Veidebaum, Toomas; Molnár, Dénes; Siani, Alfonso; Moreno, Luis A; Hadjigeorgiou, Charis

2018-01-01

This study investigated associations between timing of solid food introduction and childhood obesity and explored maternal characteristics influencing early feeding practices. Cross-sectional data from children 2-9 years (n = 10,808; 50.5% boys) residing in 8 European countries of the IDEFICS study (2007-2008) were included. Late solid food introduction (≥7 months of age) was associated with an increased prevalence of later childhood overweight/obesity among exclusively breastfed children (OR [odds ratio]: 1.38, 95% CI [confidence interval] [1.01, 1.88]). In contrast, early solid food introduction (associated with lower prevalence of overweight/obesity among children that ceased exclusive breastfeeding earlier than 4 months (OR: 0.63, 95% CI [0.47, 0.84]). Children that were introduced to solids right after 6 months exclusive breastfeeding and continued to receive breastmilk (≥12 months) were less likely to become overweight/obese (OR: 0.67, 95% CI [0.51, 0.88]) compared to children that discontinued to receive breastmilk. Analyses were adjusted for age, sex, country, birth weight, parental education level, parental body mass index, tobacco use in pregnancy, gestational weight gain, and gestational diabetes. Underweight mothers, overweight mothers, mothers who reported daily smoking during pregnancy, and low-educated mothers were less likely to follow recommendations on breastfeeding and timely solids introduction. Future studies should examine whether guidelines for solid food introduction timing have to distinguish between exclusively breastfed, formula fed, and too early exclusive breastfeeding-ceased infants. There is also need for more prospective studies; recall bias was an important current limitation. In conclusion, health professionals should emphasize benefits of breastfeeding and appropriate solid food introduction, especially to mothers that are less likely to follow recommendations. © 2017 John Wiley & Sons Ltd.

Degradation of solid oxide cells during co-electrolysis of H2O and CO2: Carbon deposition under high current densities

DEFF Research Database (Denmark)

Tao, Youkun; Ebbesen, Sune Dalgaard; Mogensen, Mogens Bjerg

2012-01-01

conversions of the reactants were no more than 66.8 %. Ni-YSZ electrode delamination and carbon nano-fibers could be observed after test at the Ni-YSZ | YSZ electrolyte interface for two of the cells. Thermodynamic calculation shows that the reactant conversion needed for carbon formation is above 99 %, far...... above the experimental conversions. The observed carbon formation may be caused by the gas diffusion limitations at high current densities. Carbon nano-fibers were only observed close to the YSZ electrolyte indicating a large overpotential gradient at the TPBs close to the electrolyte......During co-electrolysis of H2O and CO2 using solid oxide cells (SOCs) the risk of carbon deposition in the Ni-YSZ electrode under high current densities (∼ 2.0 A/cm2) was studied in this work. Five galvanostatic tests were performed at current density between 1.5 and 2.25 A/cm2 and the average...

Microwave measurements of the time evolution of electron density in the T-11M tokamak

International Nuclear Information System (INIS)

Petrov, V.G.; Petrov, A.A.; Malyshev, A.Yu.; Markov, V.K.; Babarykin, A.V.

2004-01-01

Unambiguous diagnostics intended for measuring the time behavior of the electron density and monitoring the line-averaged plasma density in the T-11M tokamak are described. The time behavior of the plasma density in the T-11M tokamak is measured by a multichannel phase-jump-free microwave polarization interferometer based on the Cotton-Mouton effect. After increasing the number of simultaneously operating interferometer channels and enhancing the sensitivity of measurements, it became possible to measure the time evolution of the plasma density profile in the T-11M tokamak. The first results from such measurements in various operating regimes of the T-11M tokamak are presented. The measurement and data processing techniques are described, the measurement errors are analyzed, and the results obtained are discussed. We propose using a pulsed time-of-flight refractometer to monitor the average plasma density in the T-11M tokamak. The refractometer emits nanosecond microwave probing pulses with a carrier frequency that is higher than the plasma frequency and, thus, operates in the transmission mode. A version of the instrument has been developed with a carrier frequency of 140 GHz, which allows one to measure the average density in regimes with a nominal T-11M plasma density of (3-5) x 10 13 cm -3 . Results are presented from the first measurements of the average density in the T-11M tokamak with the help of a pulsed time-of-flight refractometer by probing the plasma in the equatorial plane in a regime with the reflection of the probing radiation from the inner wall of the vacuum chamber

Extending the range of real time density matrix renormalization group simulations

Science.gov (United States)

Kennes, D. M.; Karrasch, C.

2016-03-01

We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement these modifications within any standard matrix product state (MPS) based formulation of the method. Most importantly, we show how to 'combine' the Schrödinger and Heisenberg time evolutions of arbitrary pure states | ψ 〉 and operators A in the evaluation of 〈A〉ψ(t) = 〈 ψ | A(t) | ψ 〉 . This includes quantum quenches. The generalization to (non-)thermal mixed state dynamics 〈A〉ρ(t) =Tr [ ρA(t) ] induced by an initial density matrix ρ is straightforward. In the context of linear response (ground state or finite temperature T > 0) correlation functions, one can extend the simulation time by a factor of two by 'exploiting time translation invariance', which is efficiently implementable within MPS DMRG. We present a simple analytic argument for why a recently-introduced disentangler succeeds in reducing the effort of time-dependent simulations at T > 0. Finally, we advocate the python programming language as an elegant option for beginners to set up a DMRG code.

Friction mechanisms and interfacial slip at fluid-solid interfaces

CERN Document Server

Leger, L

2003-01-01

We present series of experiments based on near field laser velocimetry, developed to characterize the friction mechanisms at fluid-solid interfaces. For polymers, entangled polymer melts are sheared against smooth solid surfaces, covered by surface attached polymer chains of the same chemical species, having a controlled surface density. Direct measurements of the interfacial velocity and of the shear force allow identification of the molecular mechanisms of friction. Depending on the value of the inverse of the shear rate experienced by the polymer compared to the reptation time, the transition between a regime of high and a regime of low friction observed when increasing the shear rate can be related to disentanglement or to the extraction of the surface chains from the bulk polymer. Surfaces with adjusted friction properties can thus be designed by choosing chain anchored length and surface density. For simple fluids, the direct measurements of the interfacial velocity show that, contrary to the usual hypo...

Analytical study of solids-gas two phase flow

International Nuclear Information System (INIS)

Hosaka, Minoru

1977-01-01

Fundamental studies were made on the hydrodynamics of solids-gas two-phase suspension flow, in which very small solid particles are mixed in a gas flow to enhance the heat transfer characteristics of gas cooled high temperature reactors. Especially, the pressure drop due to friction and the density distribution of solid particles are theoretically analyzed. The friction pressure drop of two-phase flow was analyzed based on the analytical result of the single-phase friction pressure drop. The calculated values of solid/gas friction factor as a function of solid/gas mass loading are compared with experimental results. Comparisons are made for Various combinations of Reynolds number and particle size. As for the particle density distribution, some factors affecting the non-uniformity of distribution were considered. The minimum of energy dispersion was obtained with the variational principle. The suspension density of particles was obtained as a function of relative distance from wall and was compared with experimental results. It is concluded that the distribution is much affected by the particle size and that the smaller particles are apt to gather near the wall. (Aoki, K.)

Time-Dependent Density Functional Theory for Open Systems and Its Applications.

Science.gov (United States)

Chen, Shuguang; Kwok, YanHo; Chen, GuanHua

2018-02-20

Photovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry is confined to isolated and closed systems, while quantum dissipation theory studies open quantum systems. The key quantity in quantum dissipation theory is the reduced system density matrix. As the reduced system density matrix is an O(M! × M!) matrix, where M is the number of the particles of the system of interest, quantum dissipation theory can only be employed to simulate systems of a few particles or degrees of freedom. It is thus important to combine quantum chemistry and quantum dissipation theory so that realistic open quantum systems can be simulated from first-principles. We have developed a first-principles method to simulate the dynamics of open electronic systems, the time-dependent density functional theory for open systems (TDDFT-OS). Instead of the reduced system density matrix, the key quantity is the reduced single-electron density matrix, which is an N × N matrix where N is the number of the atomic bases of the system of interest. As the dimension of the key quantity is drastically reduced, the TDDFT-OS can thus be used to simulate the dynamics of realistic open electronic systems and efficient numerical algorithms have been developed. As an application, we apply the method to study how quantum interference develops in a molecular transistor in time domain. We include electron-phonon interaction in our simulation and show that quantum interference in the given system is robust against nuclear vibration not only in the steady state but also in the transient dynamics. As another application, by combining TDDFT-OS with Ehrenfest dynamics, we study current-induced dissociation of water molecules under scanning tunneling microscopy and follow its time dependent

Classical theory of thermal radiation from a solid.

Science.gov (United States)

Guo, Wei

2016-06-01

In this work, a solid at a finite temperature is modeled as an ensemble of identical atoms, each of which moves around a lattice site inside an isotropic harmonic potential. The motion of one such atom is studied first. It is found that the atom moves like a time-dependent current density and, thus, can emit electromagnetic radiation. Since all the atoms are identical, they can radiate, too. The resultant radiation from the atoms is the familiar thermal radiation from the solid. After its general expression is obtained, the intensity of the thermal radiation is discussed for its properties, and specifically calculated in the low-temperature limit. Both atomic motion and radiation are formulated in the classical domain.

Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Bowman, David N. [Department of Chemistry; Supercomputing Institute and Chemical Theory Center; University of Minnesota; Minneapolis; USA; Asher, Jason C. [Department of Chemistry; Supercomputing Institute and Chemical Theory Center; University of Minnesota; Minneapolis; USA; Fischer, Sean A. [William R. Wiley Environmental Molecular Sciences Laboratory; Pacific Northwest National Laboratory; P.O. Box 999; Richland; USA; Cramer, Christopher J. [Department of Chemistry; Supercomputing Institute and Chemical Theory Center; University of Minnesota; Minneapolis; USA; Govind, Niranjan [William R. Wiley Environmental Molecular Sciences Laboratory; Pacific Northwest National Laboratory; P.O. Box 999; Richland; USA

2017-01-01

Threemeso-substituted tetrapyridyl porphyrins (free base, Ni(ii), and Cu(ii)) were investigated for their optical limiting (OL) capabilities using real-time (RT-), linear-response (LR-), and quadratic-response (QR-) time-dependent density functional theory (TDDFT) methods.

Density of liquid Ytterbium

International Nuclear Information System (INIS)

Stankus, S.V.; Basin, A.S.

1983-01-01

Results are presented for measurements of the density of metallic ytterbium in the liquid state and at the liquid-solid phase transition. Based on the numerical data obtained, the coefficient of thermal expansion βZ of the liquid and the density discontinuity on melting deltarho/sub m/ are calculated. The magnitudes of βZ and deltarho/sub m/ for the heavy lanthanides are compared

Time-dependent density functional theory for many-electron systems interacting with cavity photons.

Science.gov (United States)

Tokatly, I V

2013-06-07

Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates. The Kohn-Sham system is constructed, which allows us to calculate the above basic variables by solving self-consistent equations for noninteracting particles. We suggest possible approximations for the exchange-correlation potentials and discuss implications of this approach for the theory of open quantum systems. In particular we show that it naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.

Effects of drive current rise-time and initial load density distribution on Z-pinch characteristics

Institute of Scientific and Technical Information of China (English)

Duan Yao-Yong; Guo Yong-Hui; Wang Wen-Sheng; Qiu Ai-Ci

2005-01-01

A two-dimensional, three-temperature radiation magneto-hydrodynamics model is applied to the investigation of evolutional trends in x-ray radiation power, energy, peak plasma temperature and density as functions of drive current rise-time and initial load density distribution by using the typical experimental parameters of tungsten wire-array Z-pinch on the Qiangguang-Ⅰ generator. The numerical results show that as the drive current rise-time is shortened, x-ray radiation peak power, energy, peak plasma density and peak ion temperature increase approximately linearly, but among them the x-ray radiation peak power increases more quickly. As the initial plasma density distribution in the radial direction becomes gradually flattened, the peak radiation power and the peak ion-temperature almost exponentially increase, while the radiation energy and the peak plasma density change only a little. The main effect of shortening drive current rise-time is to enhance compression of plasma, and the effect of flattening initial load density distribution in the radial direction is to raise the plasma temperature. Both of the approaches elevate the x-ray peak radiation power.

Pulsed time-of-flight refractometry measurements of the electron density in the T-11M tokamak

International Nuclear Information System (INIS)

Petrov, A.A.; Petrov, V.G.; Malyshev, A.Yu.; Markov, V.K.; Babarykin, A.V.

2002-01-01

A new method for measuring the plasma density in magnetic confinement systems - pulsed time-of-flight refractometry - is developed and tested experimentally in the T-11M tokamak. The method is based on the measurements of the time delay of short (with a duration of several nanoseconds) microwave pulses propagating through the plasma. When the probing frequency is much higher than the plasma frequency, the measured delay in the propagation time is proportional to the line-averaged electron density regardless of the density profile. A key problem in such measurements is the short time delay of the pulse in the plasma (∼1 ns or less for small devices) and, consequently, low accuracy of the measurements of the average density. Various methods for improving the accuracy of such measurements are proposed and implemented in the T-11M experiments. The measurements of the line-averaged density in the T-11M tokamak in the low-density plasma regime are performed. The results obtained agree satisfactorily with interferometric data. The measurement errors are analyzed, and the possibility of using this technique to measure the electron density profile and the position of the plasma column is discussed

(Nbx, Zr1-x)4AlC3 MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations.

Science.gov (United States)

Lapauw, Thomas; Tytko, Darius; Vanmeensel, Kim; Huang, Shuigen; Choi, Pyuck-Pa; Raabe, Dierk; Caspi, El'ad N; Ozeri, Offir; To Baben, Moritz; Schneider, Jochen M; Lambrinou, Konstantina; Vleugels, Jozef

2016-06-06

The solubility of zirconium (Zr) in the Nb4AlC3 host lattice was investigated by combining the experimental synthesis of (Nbx, Zr1-x)4AlC3 solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH0.89, ZrH2, Al, and C starting powder mixtures. The crystal structure of the produced solid solutions was determined using X-ray and neutron diffraction. The limited Zr solubility (maximum of 18.5% of the Nb content in the host lattice) in Nb4AlC3 observed experimentally is consistent with the calculated minimum in the energy of mixing. The lattice parameters and microstructure were evaluated over the entire solubility range, while the chemical composition of (Nb0.85, Zr0.15)4AlC3 was mapped using atom probe tomography. The hardness, Young's modulus, and fracture toughness at room temperature as well as the high-temperature flexural strength and E-modulus of (Nb0.85, Zr0.15)4AlC3 were investigated and compared to those of pure Nb4AlC3. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m(1/2) for pure Nb4AlC3 to 10.1 ± 0.3 MPa/m(1/2) for the (Nb0.85, Zr0.15)4AlC3 solid solution.

Local thermodynamic mapping for effective liquid density-functional theory

Science.gov (United States)

Kyrlidis, Agathagelos; Brown, Robert A.

1992-01-01

The structural-mapping approximation introduced by Lutsko and Baus (1990) in the generalized effective-liquid approximation is extended to include a local thermodynamic mapping based on a spatially dependent effective density for approximating the solid phase in terms of the uniform liquid. This latter approximation, called the local generalized effective-liquid approximation (LGELA) yields excellent predictions for the free energy of hard-sphere solids and for the conditions of coexistence of a hard-sphere fcc solid with a liquid. Moreover, the predicted free energy remains single valued for calculations with more loosely packed crystalline structures, such as the diamond lattice. The spatial dependence of the weighted density makes the LGELA useful in the study of inhomogeneous solids.

Correlation Between Contrast Time-Density Time on Digital Subtraction Angiography and Flow: An in Vitro Study.

Science.gov (United States)

Brunozzi, Denise; Shakur, Sophia F; Ismail, Rahim; Linninger, Andreas; Hsu, Chih-Yang; Charbel, Fady T; Alaraj, Ali

2018-02-01

Digital subtraction angiography (DSA) provides an excellent anatomic characterization of cerebral vasculature, but hemodynamic assessment is often qualitative and subjective. Various clinical algorithms have been produced to semiquantify flow from the data obtained from DSA, but few have tested them against reliable flow values. An arched flow model was created and injected with contrast material. Seventeen injections were acquired in anterior-posterior and lateral DSA projections, and 4 injections were acquired in oblique projection. Image intensity change over the angiogram cycle of each DSA run was analyzed through a custom MATLAB code. Time-density plots obtained were divided into 3 components (time-density times, TDTs): TDT 10%-100% (time needed for contrast material to change image intensity from 10% to 100%), TDT 100%-10% (time needed for contrast material to change image intensity from 100% to 10%), and TDT 25%-25% (time needed for contrast material to change from 25% image intensity to 25%). Time-density index (TDI) was defined as model cross-sectional area to TDT ratio, and it was measured against different flow rates. TDI 10%-100% , TDI 100%-10% , and TDI 25%-25% all correlated significantly with flow (P < 0.001). TDI 10%-100% , TDI 100%-10% , and TDI 25%-25% showed, respectively, a correlation coefficient of 0.91, 0.91, and 0.97 in the anterior-posterior DSA projections (P < 0.001). In the lateral DSA projection, TDI 100%-10% showed a weaker correlation (r = 0.57; P = 0.03). Also in the oblique DSA projection, TDIs correlated significantly with flow. TDI on DSA correlates significantly with flow. Although in vitro studies might overlook conditions that occur in patients, this method appears to correlate with the flow and could offer a semiquantitative method to evaluate the cerebral blood flow. Copyright © 2017 Elsevier Inc. All rights reserved.

ac loss and dc critical current densities of Nb3Sn tapes by the solid state diffusion process

International Nuclear Information System (INIS)

Suenaga, M.; Klamut, C.; Bussiere, J.F.

1976-01-01

The effects of metallurgical processing on 60 Hz ac losses and dc critical currents in Nb 3 Sn tapes fabricated by the solid state diffusion technique were investigated. An addition of Al to the Cu--Sn alloy for the matrix resulted in large reduction in the ac losses of Nb 3 Sn tapes, but the highest linear critical current densities were observed in Nb 3 Sn tapes produced with a Nb-1 wt percent Zr core in a Cu-13 wt percent Sn matrix. Values of the losses and the critical currents in these tapes can meet the present requirements for the ac superconducting power cables

Obtaining of Solids With Potential Corrosion Inhibitory Effects by Electrocoagulation Vinasse Methods

Directory of Open Access Journals (Sweden)

Dra. Elaine Ojeda-Armaignac

2015-11-01

Full Text Available In this paper, electrocoagulation experiments are performed at different vinasse samples with a viewto obtaining solids with potential corrosion inhibitory effects. Experimental tests were performed with samples of complex sugar «Argeo Martínez» Guantánamo province, «Urbano Noris Holguín province, in the antique complex Destillery-Brewery «Hatuey» of the province of Santiago de Cuba and in the rum factory of Appleton» in Kingston Jamaica. Electrocoagulation preliminary tests performed with the vinasse from distilleries of Santiago de Cuba, Guantánamo and Holguín allowed the definition of thevariables and their domain, which were considered in the design of experiments to obtain the most favorable conditions of operation. Preliminary experiments corroborated that increasing the current density and pH, increase linearly solids obtained and current density values exceeding 0,194 5 A/cm2 are not feasible because they increase the energy consumption process and the increase of solids is negligible. Validation of electrocoagulation method was demonstrated with results of the experimentaldesign from Jamaica´s vinasse, that were similar to those obtained with Cuban vinasse; reaching favorable conditions for operation at current density of 0,194 5/cm2, pH equal to 8,97 and time 5,6 min, resulting in 15,42 g of total solids for a minimum consumption of 8,44 kW·h/kg.

On the choice of lens density profile in time delay cosmography

Science.gov (United States)

Sonnenfeld, Alessandro

2018-03-01

Time delay lensing is a mature and competitive cosmological probe. However, it is limited in accuracy by the well-known problem of the mass-sheet degeneracy: too rigid assumptions on the density profile of the lens can potentially bias the inference on cosmological parameters. I investigate the degeneracy between the choice of the lens density profile and the inference on the Hubble constant, focusing on double image systems. By expanding lensing observables in terms of the local derivatives of the lens potential around the Einstein radius, and assuming circular symmetry, I show that 3 degrees of freedom in the radial direction are necessary to achieve a few per cent accuracy in the time-delay distance. Additionally, while the time delay is strongly dependent on the second derivative of the potential, observables typically used to constrain lens models in time-delay studies, such as image position and radial magnification information, are mostly sensitive to the first and third derivatives, making it very challenging to accurately determine time-delay distances with lensing data alone. Tests on mock observations show that the assumption of a power-law density profile results in a 5 per cent average bias on H0, with a 6 per cent scatter. Using a more flexible model and adding unbiased velocity dispersion constraints allows me to obtain an inference with 1 per cent accuracy. A power-law model can still provide 3 per cent accuracy if velocity dispersion measurements are used to constrain its slope. Although this study is based on the assumption of axisymmetry, its main findings can be generalized to cases with moderate ellipticity.

Effective medium of periodic fluid-solid composites

KAUST Repository

Mei, Jun; Wu, Ying; Liu, Zhengyou

2012-01-01

An analytic solution of the effective mass density and bulk modulus of a periodic fluid-solid composite is obtained by using the multiple-scattering theory in the long-wavelength limit. It is shown that when the concentration of solid inclusions

Time-dependent internal density functional theory formalism and Kohn-Sham scheme for self-bound systems

International Nuclear Information System (INIS)

Messud, Jeremie

2009-01-01

The stationary internal density functional theory (DFT) formalism and Kohn-Sham scheme are generalized to the time-dependent case. It is proven that, in the time-dependent case, the internal properties of a self-bound system (such as an atomic nuclei or a helium droplet) are all defined by the internal one-body density and the initial state. A time-dependent internal Kohn-Sham scheme is set up as a practical way to compute the internal density. The main difference from the traditional DFT formalism and Kohn-Sham scheme is the inclusion of the center-of-mass correlations in the functional.

Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.

Science.gov (United States)

Kasper, Joseph M; Lestrange, Patrick J; Stetina, Torin F; Li, Xiaosong

2018-04-10

X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model, and a noncollinear density functional theory is required. Using the real-time exact two-component method, we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum. The abilities of different basis sets and density functionals to model spectra for both closed- and open-shell systems are investigated using SiCl 4 and three transition metal complexes, TiCl 4 , CrO 2 Cl 2 , and [FeCl 6 ] 3- . Although we are working in the real-time framework, individual molecular orbital transitions can still be recovered by projecting the density onto the ground state molecular orbital space and separating contributions to the time evolving dipole moment.

Measurement of true density

International Nuclear Information System (INIS)

Carr-Brion, K.G.; Keen, E.F.

1982-01-01

System for determining the true density of a fluent mixture such as a liquid slurry, containing entrained gas, such as air comprises a restriction in pipe through which at least a part of the mixture is passed. Density measuring means such as gamma-ray detectors and source measure the apparent density of the mixture before and after its passage through the restriction. Solid-state pressure measuring devices are arranged to measure the pressure in the mixture before and after its passage through the restriction. Calculating means, such as a programmed microprocessor, determine the true density from these measurements using relationships given in the description. (author)

Optical properties of Al nanostructures from time dependent density functional theory

KAUST Repository

Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

2016-01-01

The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting

Time-resolved x-ray spectra from laser-generated high-density plasmas

Science.gov (United States)

Andiel, U.; Eidmann, Klaus; Witte, Klaus-Juergen

2001-04-01

We focused frequency doubled ultra short laser pulses on solid C, F, Na and Al targets, K-shell emission was systematically investigated by time resolved spectroscopy using a sub-ps streak camera. A large number of laser shots can be accumulated when triggering the camera with an Auston switch system at very high temporal precision. The system provides an outstanding time resolution of 1.7ps accumulating thousands of laser shots. The time duration of the He-(alpha) K-shell resonance lines was observed in the range of (2-4)ps and shows a decrease with the atomic number. The experimental results are well reproduced by hydro code simulations post processed with an atomic kinetics code.

A case study of real-time monitoring of solid-state phase transformations in acoustically levitated particles using near infrared and Raman spectroscopy.

Science.gov (United States)

Rehder, Sönke; Wu, Jian X; Laackmann, Julian; Moritz, Hans-Ulrich; Rantanen, Jukka; Rades, Thomas; Leopold, Claudia S

2013-01-23

The objective of this study was to monitor the amorphous-to-crystalline solid-state phase transformation kinetics of the model drug ibuprofen with spectroscopic methods during acoustic levitation. Chemical and physical information was obtained by real-time near infrared (NIRS) and Raman spectroscopy measurements. The recrystallisation kinetic parameters (overall recrystallisation rate constant β and the time needed to reach 50% of the equilibrated level t(50)), were determined using a multivariate curve resolution approach. The acoustic levitation device coupled with non-invasive spectroscopy enabled monitoring of the recrystallisation process of the difficult-to-handle (adhesive) amorphous sample. The application of multivariate curve resolution enabled isolation of the underlying pure spectra, which corresponded well with the reference spectra of amorphous and crystalline ibuprofen. The recrystallisation kinetic parameters were estimated from the recrystallisation profiles. While the empirical recrystallisation rate constant determined by NIR and Raman spectroscopy were comparable, the lag time for recrystallisation was significantly lower with Raman spectroscopy as compared to NIRS. This observation was explained by the high energy density of the Raman laser beam, which might have led to local heating effects of the sample and thus reduced the recrystallisation onset time. It was concluded that acoustic levitation with NIR and Raman spectroscopy combined with multivariate curve resolution allowed direct determination of the recrystallisation kinetics of amorphous drugs and thus is a promising technique for monitoring solid-state phase transformations of adhesive small-sized samples during the early phase of drug development. Copyright © 2012 Elsevier B.V. All rights reserved.

Density perturbations due to the inhomogeneous discrete spatial structure of space-time

International Nuclear Information System (INIS)

Wolf, C.

1998-01-01

For the case that space-time permits an inhomogeneous discrete spatial structure due to varying gravitational fields or a foam-like structure of space-time, it is demonstrated that thermodynamic reasoning implies that matter-density perturbations will arise in the early universe

Micro-Solid Oxide Fuel Cell: A multi-fuel approach for portable applications

International Nuclear Information System (INIS)

Patil, Tarkeshwar C.; Duttagupta, Siddhartha P.

2016-01-01

Highlights: • We report the oxygen ion transport properties at the electrode–electrolyte interface (EEI) of the SOFC for the first time. • This ion transport plays a key role in the overall performance of SOFCs with different fuels. • The GIIB mechanism is also studied for the first time. • GIIB is assumed to be the prime reason for low power density and ion conductivity at the EEI when using hydrocarbon fuels. • Due to its scalability, a fuel cell can serve as a power source for on-chip applications and all portable equipment. - Abstract: The impact of oxygen ion transport at the electrolyte–electrode interface of a micro-solid oxide fuel cell using different fuels is investigated. Model validation is performed to verify the results versus the reported values. Furthermore, as the hydrogen-to-carbon ratio decreases, the diffusivity of the oxygen ion increases. This increase in diffusivity is observed because the number of hydrogen atoms available as the reacting species increases in fuels with lower hydrogen-to-carbon ratios. The oxygen ion conductivity and output power density decrease as the hydrogen-to-carbon ratio of the fuels decreases. The reason behind this impact is the formation of a gas-induced ion barrier at the electrode–electrolyte interface by the CO_2 molecules formed during the reaction at the interface, thus blocking the flow of oxygen ions. As the oxygen ions become blocked, the output current contribution from the reaction also decreases and thereby affects the overall performance of the micro-solid oxide fuel cell. The experimental verification confirms this because of a significant decrease in the output power density. Furthermore, as per the application in portable devices, the appropriate choice of fuel can be chosen so that the micro-solid oxide fuel cell operates at the maximum power density.

Analysis of the vertical penetration of a heated fluid layer in a solid, miscible bed

International Nuclear Information System (INIS)

Eck, G.

1982-03-01

The present study investigates the mass and heat transfer for the vertical penetration of a heated fluid layer in a solid, miscible bed using water-salt solutions (ZnBr 2 , NaBr) and polyethylenglycol 1500 (PEG) as simulation materials. The time depending spatial distribution of the molten material (PEG) has been measured for the first time with conductivity probes. The dependence of the downward heat flux on the density ratio rho*, i.e. the density of the fluid / the density of the molten solid, has been investigated with two different methods of heating, planar heating with a heat exchanger in a defined initial distance to the PEG-surface and electrolytical volume heating with a defined and timely constant power input. For 1 2 two layers have been observed in the fluid. This phenomenon is caused among other things by an anomality of the mixture density of the system salt solution-PEG. This process affects the downward heat flux so strongly, that it is impossible to transfer the results of such a system in this region of rho* to another system, for example to a corecatcher. The discrepancies between the measured heat fluxes and heat transfer coefficients of this study and that of other authors can be explained by the different construction of the planar heater, or by different boundary conditions in the case of volume heating. (orig.) [de

The optimal density of cellular solids in axial tension.

Science.gov (United States)

Mihai, L Angela; Alayyash, Khulud; Wyatt, Hayley

2017-05-01

For cellular bodies with uniform cell size, wall thickness, and shape, an important question is whether the same volume of material has the same effect when arranged as many small cells or as fewer large cells. To answer this question, for finite element models of periodic structures of Mooney-type material with different structural geometry and subject to large strain deformations, we identify a nonlinear elastic modulus as the ratio between the mean effective stress and the mean effective strain in the solid cell walls, and show that this modulus increases when the thickness of the walls increases, as well as when the number of cells increases while the volume of solid material remains fixed. Since, under the specified conditions, this nonlinear elastic modulus increases also as the corresponding mean stress increases, either the mean modulus or the mean stress can be employed as indicator when the optimum wall thickness or number of cells is sought.

A simple method to calculate first-passage time densities with arbitrary initial conditions

Science.gov (United States)

Nyberg, Markus; Ambjörnsson, Tobias; Lizana, Ludvig

2016-06-01

Numerous applications all the way from biology and physics to economics depend on the density of first crossings over a boundary. Motivated by the lack of general purpose analytical tools for computing first-passage time densities (FPTDs) for complex problems, we propose a new simple method based on the independent interval approximation (IIA). We generalise previous formulations of the IIA to include arbitrary initial conditions as well as to deal with discrete time and non-smooth continuous time processes. We derive a closed form expression for the FPTD in z and Laplace-transform space to a boundary in one dimension. Two classes of problems are analysed in detail: discrete time symmetric random walks (Markovian) and continuous time Gaussian stationary processes (Markovian and non-Markovian). Our results are in good agreement with Langevin dynamics simulations.

Effective medium of periodic fluid-solid composites

KAUST Repository

Mei, Jun

2012-05-24

An analytic solution of the effective mass density and bulk modulus of a periodic fluid-solid composite is obtained by using the multiple-scattering theory in the long-wavelength limit. It is shown that when the concentration of solid inclusions is high, the effective mass density is structure dependent and differs significantly from the leading-order dipole solution, whereas Wood\\'s formula is accurately valid, independently of the structures. Numerical evaluations from the analytic solution are shown to be in excellent agreement with finite-element simulations. In the vicinity of the tight-packing limit, the critical behavior of the effective mass density is also studied and it is independent of the lattice symmetry. © 2012 Europhysics Letters Association.

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

DEFF Research Database (Denmark)

Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

2008-01-01

Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

77 FR 17410 - Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of...

Science.gov (United States)

2012-03-26

... DEPARTMENT OF COMMERCE International Trade Administration [A-821-801] Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative Review AGENCY... Commerce (the Department) initiated an administrative review of the antidumping duty order on solid urea...

Type of oral solid medication packaging and medication preparation time in nursing homes: A direct observation study.

Science.gov (United States)

Cready, C M; Hudson, C; Dreyer, K

2017-12-01

Medication administration is a substantial portion of the workday in nursing homes, with the medication preparation step being the most time-consuming. However, little is known about how medication preparation time is affected by the type of packaging used for oral solid medications (ie, tablets/capsules). We examined the effects of two types of packaging. As fewer steps are associated with strip packaging compared to bingo card packaging, we hypothesized that the increase in medication preparation seconds per resident with each additional oral solid medication would be smaller when strip packaging was used. A total of 430 medication preparations conducted by eight nurses during the regularly scheduled morning medication administration period in two nursing homes-using strip packaging and bingo card packaging, respectively-were observed. Each medication preparation observation was matched to its corresponding medication administration record and observations averaged across resident. Using the resident sample (N=149), we estimated three regression models (adjusting the standard errors for the clustering of resident by nurse). The first model regressed medication preparation seconds on the number of oral solid medications. The second model added the type of packaging used and the control variables (type of unit [long-term care, post-acute care], the number of one-half pills and the dosage form diversity in the preparation). To test our hypothesis, the third model added an interaction term between the number of oral solid medications and the type of packaging used. As hypothesized, all else equal, the number of oral solid medications tended to increase medication preparation time per resident in both nursing homes, but the increase was smaller in the strip packaging nursing home (Ppackaging nursing home increased medication preparation by an average of 13 seconds (b=13.077), whereas each oral solid medication administered in the strip packaging nursing home

Removal of turbidity and suspended solids backwash water from rapid sand filter by using electrocoagulation

Directory of Open Access Journals (Sweden)

AR Yari

2016-07-01

Full Text Available Introduction: By appropriate method can be recycled more than 95 percent effluent backwashing the filter. This study aimed to examine the efficiency of the electrocoagulation process on turbidity and suspended solids removal from backwash effluent of rapid sand filter of water treatment plants No 1 in Karaj. Methods: This bench-scale experimental study was carried out on the samples of backwash effluent in a batch system. The Plexiglas tank with a volume of 4 liters, containing of 4 plate electrodes made of aluminum and iron was connected to a direct current power supply. Samples every 15 minutes to measure turbidity and suspended solids collected in the middle of the reactor and examined. Effect of several parameters such as current density, reaction time and voltage were studied. The total number of samples tested were 48. Turbidity and total suspended solids was measured by nephlometry and gravimetric method, respectively. Results: The highest removal efficiency of turbidity and suspended solids in reaction time of 60 minutes, current density of 2 mA and a voltage of 45 mV was observed. The highest removal efficiency of turbidity in aluminum and iron electrodes were 96.83 and 83.77 %, respectively. Also The highest removal efficiency of suspended solids were 96.73 and 86.22 %, respectively. Conclusion: The results showed that electro- coagulation process can be a good choice to remove turbidity and suspended from backwash of rapid sand filter. Aluminum electrode efficiency in the removal of turbidity and suspended solids was greater than the iron electrode.

Long time-scale density peaking in JET

International Nuclear Information System (INIS)

Sartori, R.; Saibene, G.; Becoulet, M.

2002-01-01

This paper discusses how the proximity to the L-H threshold affects the confinement of ELMy H-modes at high density. The largest reduction in confinement at high density is observed at the transition from the Type I to the Type III ELMy regime. At medium plasma triangularity, δ≅0.3 (where δ is the average triangularity at the separatrix), JET experiments show that, by increasing the margin above the L-H threshold power and maintaining the edge temperature above the critical temperature for the transition to Type III ELMs, it is possible to avoid the degradation of the pedestal pressure with density, normally observed at lower power. As a result, the range of achievable densities (both in the core and in the pedestal) is increased. At high power above the L-H threshold power the core density was equal to the Greenwald limit with H97≅0.9. There is evidence that a mixed regime of Type I and Type II ELMs has been obtained at this intermediate triangularity, possibly as a result of this increase in density. At higher triangularity, δ≅0.5, the power required to achieve similar results is lower. (author)

Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@4He300/TiO2(110)

Science.gov (United States)

de Lara-Castells, María Pilar; Aguirre, Néstor F.; Stoll, Hermann; Mitrushchenkov, Alexander O.; Mateo, David; Pi, Martí

2015-04-01

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid 4He droplets motion are combined to follow the short-time collision dynamics of the Au@4He300 system with the TiO2(110) surface. This composite approach demonstrates the 4He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed 4He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)].

Time-dependent density-functional theory concepts and applications

CERN Document Server

Ullrich, Carsten A

2011-01-01

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost.This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a s

Crystal density predictions for nitramines based on quantum chemistry

International Nuclear Information System (INIS)

Qiu Ling; Xiao Heming; Gong Xuedong; Ju Xuehai; Zhu Weihua

2007-01-01

An efficient and convenient method for predicting the crystalline densities of energetic materials was established based on the quantum chemical computations. Density functional theory (DFT) with four different basis sets (6-31G**, 6-311G**, 6-31+G**, and 6-311++G**) and various semiempirical molecular orbital (MO) methods have been employed to predict the molecular volumes and densities of a series of energetic nitramines including acyclic, monocyclic, and polycyclic/cage molecules. The relationships between the calculated values and experimental data were discussed in detail, and linear correlations were suggested and compared at different levels. The calculation shows that if the selected basis set is larger, it will expend more CPU (central processing unit) time, larger molecular volume and smaller density will be obtained. And the densities predicted by the semiempirical MO methods are all systematically larger than the experimental data. In comparison with other methods, B3LYP/6-31G** is most accurate and economical to predict the solid-state densities of energetic nitramines. This may be instructive to the molecular designing and screening novel HEDMs

Multi-configuration time-dependent density-functional theory based on range separation

DEFF Research Database (Denmark)

Fromager, E.; Knecht, S.; Jensen, Hans Jørgen Aagaard

2013-01-01

Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range Multi-Configuration- Self-Consistent Field (MCSCF) treatment with an adiabatic short...... (srGGA) approximations. As expected, when modeling long-range interactions with the MCSCF model instead of the adiabatic Buijse-Baerends density-matrix functional as recently proposed by Pernal [J. Chem. Phys. 136, 184105 (2012)10.1063/1.4712019], the description of both the 1D doubly-excited state...

Optimized effective potential in real time: Problems and prospects in time-dependent density-functional theory

International Nuclear Information System (INIS)

Mundt, Michael; Kuemmel, Stephan

2006-01-01

The integral equation for the time-dependent optimized effective potential (TDOEP) in time-dependent density-functional theory is transformed into a set of partial-differential equations. These equations only involve occupied Kohn-Sham orbitals and orbital shifts resulting from the difference between the exchange-correlation potential and the orbital-dependent potential. Due to the success of an analog scheme in the static case, a scheme that propagates orbitals and orbital shifts in real time is a natural candidate for an exact solution of the TDOEP equation. We investigate the numerical stability of such a scheme. An approximation beyond the Krieger-Li-Iafrate approximation for the time-dependent exchange-correlation potential is analyzed

Solid fiber Z-pinches

International Nuclear Information System (INIS)

Lindemuth, I.R.

1989-01-01

One- and two-dimensional magnetohydrodynamic computations have been performed to study the behavior of solid deuterium fiber Z-pinch experiments performed at Los Alamos and the Naval Research Laboratory. The computations use a tabulated atomic data base and ''cold-start'' initial conditions. The computations predict that the solid fiber persists longer in existing experiments than previously expected and that the discharge actually consists of a relatively low-density, hot plasma which has been ablated from the fiber. The computations exhibit m = 0 behavior in the hot, exterior plasma prior to complete ablation of the solid fiber. The m = 0 behavior enhances the fiber ablation rate. 10 refs., 5 figs

Maitra-Burke example of initial-state dependence in time-dependent density-functional theory

International Nuclear Information System (INIS)

Holas, A.; Balawender, R.

2002-01-01

In a recent paper, Maitra and Burke [Phys. Rev. A 63, 042501 (2001); 64, 039901(E) (2001)] have given an interesting and instructive example that illustrates a specific feature of the time-dependent density-functional theory--the dependence of the reconstructed time-dependent potential not only on the electron density, but also on the initial state of the system. However, a concise form of its presentation by these authors is insufficient to reveal all its peculiarities. Our paper represents a very detailed study of this valuable example, intended to facilitate a better understanding and appreciation

Effects of nanoscale density inhomogeneities on shearing fluids

DEFF Research Database (Denmark)

Ben, Dalton,; Peter, Daivis,; Hansen, Jesper Schmidt

2013-01-01

It is well known that density inhomogeneities at the solid-liquid interface can have a strong effect on the velocity profile of a nanoconfined fluid in planar Poiseuille flow. However, it is difficult to control the density inhomogeneities induced by solid walls, making this type of system...... systems. Using the sinusoidal transverse force method to produce shearing velocity profiles and the sinusoidal longitudinal force method to produce inhomogeneous density profiles, we are able to observe the interactions between the two property inhomogeneities at the level of individual Fourier components....... This gives us a method for direct measurement of the coupling between the density and velocity fields and allows us to introduce various feedback control mechanisms which customize fluid behavior in individual Fourier components. We briefly discuss the role of temperature inhomogeneity and consider whether...

76 FR 17380 - Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of...

Science.gov (United States)

2011-03-29

... DEPARTMENT OF COMMERCE International Trade Administration [A-821-801] Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative Review AGENCY... administrative review of the antidumping duty order on solid urea from the Russian Federation for the period July...

Stopping powers of solids for low-energy protons

International Nuclear Information System (INIS)

Ashley, J.C.; Ritchie, R.H.

1984-01-01

Electron gas models are useful approximations for describing the valence electron response of a solid to the passage of a charged particle. A simple free-electron gas model was used by Fermi and Teller to estimate the time required for a mesotron to be stopped in various solids. More recent work has employed the Lindhard dielectric response function, or approximations thereto, for calculations of the valence electron contributions to energy loss per unit pathlength for protons. Such calculations have generally shown rather poor agreement with experimental data for low-energy protons (velocity small compared to the Fermi velocity, v<< v/sub F/). The purpose of this paper is to draw attention to a recent calculation of the stopping power for slow protons using a density-functional formalism. These new results have been shown to give good agreement with experimental data and thus should provide valuable theoretical guidance in estimating stopping powers of solids for which no experimental data are available

Intensity-dependent resonant transmission of x-rays in solid-density aluminum plasma

Science.gov (United States)

Cho, M. S.; Chung, H.-K.; Cho, B. I.

2018-05-01

X-ray free-electron lasers (XFELs) provide unique opportunities to generate and investigate dense plasmas. The absorption and transmission properties of x-ray photons in dense plasmas are important in characterizing the state of the plasmas. Experimental evidence shows that the transmission of x-ray photons through dense plasmas depends greatly on the incident XFEL intensity. Here, we present a detailed analysis of intensity-dependent x-ray transmission in solid-density aluminum using collisional-radiative population kinetics calculations. Reverse saturable absorption (RSA), i.e., an increase in x-ray absorption with intensity has been observed for photon energies below the K-absorption edge and in the intensity range of 1016-1017 W/cm2 for XFEL photons with 1487 eV. At higher intensities, a transition from RSA to saturable absorption (SA) is predicted; thus, the x-ray absorption decreases with intensity above a threshold value. For XFEL photon energies of 1501 eV and 1515 eV, the transition from RSA to SA occurs at XFEL intensities between 1017-1018 W/cm2. Electron temperatures are predicted to be in the range of 30-50 eV for the given experimental conditions. Detailed population kinetics of the charge states explains the intensity-dependent absorption of x-ray photons and the fast modulation of XFEL pulses for both RSA and SA.

Effects of nest density, location, and timing on breeding success of Caspian Terns

Science.gov (United States)

Antolos, Michelle; Roby, D.D.; Lyons, Donald E.; Anderson, Scott K.; Collis, K.

2006-01-01

One of the proposed benefits of colonial nesting in birds is the protection afforded against avian predators. This advantage may be counter-balanced by the negative effects of intraspecific aggression on breeding success. Effects of nest density, nest location within the colony, and timing of nest initiation on productivity of Caspian Terns (Sterna caspia) were investigated on Crescent Island in the mid-Columbia River, Washington, USA. In the absence of intense nest predation at the Crescent Island tern colony, it was hypothesized that nest density would be negatively associated with productivity. A rangefinder was used to determine spatial distribution of Caspian Tern nests, and these data used to calculate nest characteristics (nest density, nearest neighbor distance, and distance to colony edge) for a randomly-selected subset of nests monitored for nest chronology and productivity. Productivity did not differ between nests in high- and low-density areas of the colony, and was positively associated with earlier nest initiation. Early nests were more productive, were located in areas of higher nest density, and were further from the colony edge than late nests. The strong effect of timing may have been attributable to seasonal declines in prey resources for terns at this site. Our results suggest that Caspian Terns nesting at the highest densities observed in this study did not incur immediate reproductive costs, despite increased potential for encounters between chicks and aggressive conspecific adults.

A conducting polymer nucleation scheme for efficient solid-state supercapacitors on paper

KAUST Repository

Kurra, Narendra; Park, Jihoon; Alshareef, Husam N.

2014-01-01

In this study, a thin nucleation layer is used to tune the morphology of conducting polymer electrodes and to optimize the performance of paper based solid-state supercapacitors. It is found that using an acid-treated poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) nucleation layer, prior to poly(3,4-ethylenedioxythiophene), PEDOT, electrochemical deposition, gives 5-6 times higher areal capacitance compared to a gold metal nucleation layer. Specifically, PEDOT supercapacitors with a high volumetric capacitance of 327 F cm-3, higher than any other PEDOT based supercapacitors reported in the literature, is achieved on the PEDOT:PSS nucleation layer; for the same devices, an areal capacitance of 242 mF cm-2 and an energy density of 14.5 mW h cm-3 at a power density of 350 mW cm-3 are obtained. Furthermore, these optimized PEDOT/PEDOT:PSS/paper electrodes are employed to fabricate solid-state supercapacitors using aqueous and ion gel electrolytes, with 32 and 11 mF cm-2 cell capacitance, respectively. The solid-state PEDOT device showed an energy density of 1.5 mW h cm-3 (normalised to the volume of the whole cell, including both the electrodes and the electrolyte), which is higher than the best reported ppy/paper (E = 1 mW h cm-3) and PAni/pencil/paper (E = 0.32 mW h cm-3) solid-state devices. The cycling performance showed that capacitance retention up to 80% is achieved after 10000 cycles. This journal is

A conducting polymer nucleation scheme for efficient solid-state supercapacitors on paper

KAUST Repository

Kurra, Narendra

2014-08-19

In this study, a thin nucleation layer is used to tune the morphology of conducting polymer electrodes and to optimize the performance of paper based solid-state supercapacitors. It is found that using an acid-treated poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) nucleation layer, prior to poly(3,4-ethylenedioxythiophene), PEDOT, electrochemical deposition, gives 5-6 times higher areal capacitance compared to a gold metal nucleation layer. Specifically, PEDOT supercapacitors with a high volumetric capacitance of 327 F cm-3, higher than any other PEDOT based supercapacitors reported in the literature, is achieved on the PEDOT:PSS nucleation layer; for the same devices, an areal capacitance of 242 mF cm-2 and an energy density of 14.5 mW h cm-3 at a power density of 350 mW cm-3 are obtained. Furthermore, these optimized PEDOT/PEDOT:PSS/paper electrodes are employed to fabricate solid-state supercapacitors using aqueous and ion gel electrolytes, with 32 and 11 mF cm-2 cell capacitance, respectively. The solid-state PEDOT device showed an energy density of 1.5 mW h cm-3 (normalised to the volume of the whole cell, including both the electrodes and the electrolyte), which is higher than the best reported ppy/paper (E = 1 mW h cm-3) and PAni/pencil/paper (E = 0.32 mW h cm-3) solid-state devices. The cycling performance showed that capacitance retention up to 80% is achieved after 10000 cycles. This journal is

Solid electrolyte material manufacturable by polymer processing methods

Science.gov (United States)

Singh, Mohit; Gur, Ilan; Eitouni, Hany Basam; Balsara, Nitash Pervez

2012-09-18

The present invention relates generally to electrolyte materials. According to an embodiment, the present invention provides for a solid polymer electrolyte material that is ionically conductive, mechanically robust, and can be formed into desirable shapes using conventional polymer processing methods. An exemplary polymer electrolyte material has an elastic modulus in excess of 1.times.10.sup.6 Pa at 90 degrees C. and is characterized by an ionic conductivity of at least 1.times.10.sup.-5 Scm-1 at 90 degrees C. An exemplary material can be characterized by a two domain or three domain material system. An exemplary material can include material components made of diblock polymers or triblock polymers. Many uses are contemplated for the solid polymer electrolyte materials. For example, the present invention can be applied to improve Li-based batteries by means of enabling higher energy density, better thermal and environmental stability, lower rates of self-discharge, enhanced safety, lower manufacturing costs, and novel form factors.

One-body density matrix and the momentum density in 4He and 3He

International Nuclear Information System (INIS)

Whitlock, P.A.; Panoff, R.M.

1984-01-01

The one-body density matrix and the momentum density for liquid and solid 4 He, determined from Green's Function Monte Carlo calculations using the HFDHE2 pair potential, are described. Values for the condensate fraction and the kinetic energy derived from these calculations are given and compared to recent experimental results. Preliminary results from variational Monte Carlo calculations on n(r) and n(k) for liquid 3 He are also reported

Relaxation Time of High-Density Amorphous Ice

Science.gov (United States)

Handle, Philip H.; Seidl, Markus; Loerting, Thomas

2012-06-01

Amorphous water plays a fundamental role in astrophysics, cryoelectron microscopy, hydration of matter, and our understanding of anomalous liquid water properties. Yet, the characteristics of the relaxation processes taking place in high-density amorphous ice (HDA) are unknown. We here reveal that the relaxation processes in HDA at 110-135 K at 0.1-0.2 GPa are of collective and global nature, resembling the alpha relaxation in glassy material. Measured relaxation times suggest liquid-like relaxation characteristics in the vicinity of the crystallization temperature at 145 K. By carefully relaxing pressurized HDA for several hours at 135 K, we produce a state that is closer to the ideal glass state than all HDA states discussed so far in literature.

Production and Magnetic Field Confinement of Laser-Irradiated Solid Particle Plasmas

Energy Technology Data Exchange (ETDEWEB)

Haught, A. F.; Polk, D. H.; Fader, W. J. [United Aircraft Research Laboratories East Hartford, CT (United States)

1969-01-15

The focused high-intensity beam from a Q-spoiled laser has been used to form a high-temperature, high-density plasma from a single 10-20 micron radius solid particle of lithium hydride which is electrically suspended in a vacuum environment free of all material supports. Time-resolved charge collection measurements of the freely expanding plasma have shown that a high degree of ionization of the 10{sup 15} atoms in the lithium hydride particle can be achieved and that the plasma produced is essentially spherically symmetric in density over the full 4 {pi} solid angle. Time-of-flight studies of the plasma expansion have shown that average electron and ion energies exceeding 200 electron volts are obtained and that the plasma expansion rate, like the plasma density, is spherically symmetric. No charge separation or separation of the lithium and hydrogen ions is observed in the expanding plasma. Numerical calculations of the plasma formation and expansion have been made using a one-dimensional spherical hydrodynamic model and, on the basis of the results obtained, an integrated similarity model has been developed for calculations of the plasma time history and energy over the range of conditions employed in the experiments. These calculations, which include the effects of laser pulse time history, fraction of the incident beam occupied by the expanding plasma, radial density and velocity gradients within the plasma, and spatial distribution of the incident laser energy, give results for the plasma radial density distribution, velocity profile, and plasma energy in good agreement with those determined experimentally over the full range of the present measurements. Measurements have been carried out to examine the interaction of these laser -produced plasmas with mirror, cusp, and minimum-B magnetic fields. Experiments with mirror and minimum-B magnetic fields up to 8 kC show that plasmas with densities of 10{sup 12} -10{sup 13} cm{sup -3} are confined for times of 5

X-ray absorption in insulators with non-Hermitian real-time time-dependent density functional theory.

Science.gov (United States)

Fernando, Ranelka G; Balhoff, Mary C; Lopata, Kenneth

2015-02-10

Non-Hermitian real-time time-dependent density functional theory was used to compute the Si L-edge X-ray absorption spectrum of α-quartz using an embedded finite cluster model and atom-centered basis sets. Using tuned range-separated functionals and molecular orbital-based imaginary absorbing potentials, the excited states spanning the pre-edge to ∼20 eV above the ionization edge were obtained in good agreement with experimental data. This approach is generalizable to TDDFT studies of core-level spectroscopy and dynamics in a wide range of materials.

Momentum density of hcp and liquid helium-4 by inelastic neutron scattering

International Nuclear Information System (INIS)

Hilleke, R.O.

1983-01-01

A measurement of the momentum density in hcp and liquid 4 He by inelastic neutron scattering is reported. Using the Low Resolution Medium Energy Chopper Spectrometer at the Intense Pulsed Neutron Source at Argonne National Laboratory, momentum transfers in the range 12 to 22.5 A -1 were attained. At these momentum transfers, the momentum density of the sample is related to the dynamic structure factor by the impulse approximation. The measured momentum distribution is Gaussian and the kinetic energy is larger than proposed by existing theories. Data were taken on two solid samples, the first was a 19.45 cm 3 /mole hcp solid, the second was 18.20 cm 3 /mole; both solid samples were maintained at 1.70 K during data collection. Data were also taken on a liquid sample with a molar volume of 18.20 cm 3 /mole at 4.00 K. At 1.70 K the two solid samples are essentially in their ground states so that the measurement is of the ground state momentum density. The liquid sample was included to see if the difference between the liquid and solid momentum density at the same molar volume was observable

Remarks on time-dependent [current]-density functional theory for open quantum systems.

Science.gov (United States)

Yuen-Zhou, Joel; Aspuru-Guzik, Alán

2013-08-14

Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a formalism that can incorporate dissipative effects in the dynamics of many-body quantum systems. Here, we review and clarify some formal aspects of these theories that have been recently questioned in the literature. In particular, we provide theoretical support for the following conclusions: (1) contrary to what we and others had stated before, within the master equation framework, there is in fact a one-to-one mapping between vector potentials and current densities for fixed initial state, particle-particle interaction, and memory kernel; (2) regardless of the first conclusion, all of our recently suggested Kohn-Sham (KS) schemes to reproduce the current and particle densities of the original OQS, and in particular, the use of a KS closed driven system, remains formally valid; (3) the Lindblad master equation maintains the positivity of the density matrix regardless of the time-dependence of the Hamiltonian or the dissipation operators; (4) within the stochastic Schrödinger equation picture, a one-to-one mapping from stochastic vector potential to stochastic current density for individual trajectories has not been proven so far, except in the case where the vector potential is the same for every member of the ensemble, in which case, it reduces to the Lindblad master equation picture; (5) master equations may violate certain desired properties of the density matrix, such as positivity, but they remain as one of the most useful constructs to study OQS when the environment is not easily incorporated explicitly in the calculation. The conclusions support our previous work as formally rigorous, offer new insights into it, and provide a common ground to discuss related theories.

Early-time particle dynamics and non-affine deformations during microstructure selection in solids

Energy Technology Data Exchange (ETDEWEB)

Sengupta, Surajit [Centre for Advanced Materials, Indian Association for the Cultivation of Science, 2A and 2B, Raja S C Mullick Road, Jadavpur, Kolkata 700032 (India); Rao, Madan [Raman Research Institute, C V Raman Avenue, Bangalore 560 080 (India); Bhattacharya, Jayee [S N Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Kolkata 700 098 (India)

2011-07-27

Solid-solid transitions are invariably associated with groups of particles whose deformations cannot be expressed as an affine strain about a reference configuration. The dynamics of these non-affine zones (NAZ) determine the subsequent microstructure, i.e. the mesoscale patterning resulting from the structural transition. Here, we focus on early-time dynamics of individual particles within an NAZ associated with a nucleation event. We show that the early-time behavior of these particles have distinctive characteristics depending on the transition temperature. The dynamics is heterogeneous, consisting of a few active particles exhibiting complex intermittent jamming and flow in response to internal stresses generated during the transformation. At low temperatures, the dynamics of these active particles is ballistic and the structural transformation proceeds via string-like correlated movement of active particles, along ridges in the potential energy topography set up by inactive particles. On increasing temperature, the dynamics of active particles show an abrupt transition from ballistic to diffusive behavior with a diffusion coefficient which appears to be independent of temperature. This dynamical transition in the nature of the trajectories of particles is coincident with a discontinuous transition in the microstructure of the solid. Finally, we characterize this transition in terms of a dynamical order parameter in the space of trajectories and discuss its connection with the glass transition and rheology of soft and granular matter.

Effects of convection and density difference on contact melting around a cylinder

International Nuclear Information System (INIS)

Zhao Yuansong; Chen Wenzhen; Sun Fengrui

2010-01-01

Contact melting around a horizontal cylindrical heat source is investigated theoretically. Considering the convection and solid-liquid density difference, the expression of melting velocity is obtained by solving the dominant equations of the molten layer. The effects of convection and density difference on the contact melting are analyzed and discussed. It is found that convection hinders the heat transfer from the heat source to solid phase change material (PCM) across the molten layer, and smaller melting velocity will be obtained while considering solid-liquid density difference. The comparison of the result in this paper with those of previous study shows the validity of the analytical mode established.

Degradation of solid oxide cells during co-electrolysis of steam and carbon dioxide at high current densities

DEFF Research Database (Denmark)

Tao, Youkun; Ebbesen, Sune Dalgaard; Mogensen, Mogens Bjerg

2016-01-01

and ∼15 μm LSM–YSZ oxygen electrode. The gas conversion was 45% at −1.5 A cm−2 and 60% at −2.0 A cm−2, and the operating durations were up to 700 h. The detailed electrochemical analysis revealed significant increase of the ohmic resistance, oxide ion transport resistance in the Ni–YSZ composite......In this work, the durability of Ni–YSZ based solid oxide cells was investigated during co-electrolysis of steam and carbon dioxide (45% H2O + 45% CO2 + 10% H2) at current density of −1.5 or −2.0 A cm−2. The cell consists of ∼300 μm Ni–YSZ support, ∼10 μm Ni–YSZ electrode, ∼10 μm YSZ electrolyte...

Varying plant density and harvest time to optimize cowpea leaf yield and nutrient content

Science.gov (United States)

Ohler, T. A.; Nielsen, S. S.; Mitchell, C. A.

1996-01-01

Plant density and harvest time were manipulated to optimize vegetative (foliar) productivity of cowpea [Vigna unguiculata (L.) Walp.] canopies for future dietary use in controlled ecological life-support systems as vegetables or salad greens. Productivity was measured as total shoot and edible dry weights (DW), edible yield rate [(EYR) grams DW per square meter per day], shoot harvest index [(SHI) grams DW per edible gram DW total shoot], and yield-efficiency rate [(YER) grams DW edible per square meter per day per grams DW nonedible]. Cowpeas were grown in a greenhouse for leaf-only harvest at 14, 28, 42, 56, 84, or 99 plants/m2 and were harvested 20, 30, 40, or 50 days after planting (DAP). Shoot and edible dry weights increased as plant density and time to harvest increased. A maximum of 1189 g shoot DW/m2 and 594 g edible DW/m2 were achieved at an estimated plant density of 85 plants/m2 and harvest 50 DAP. EYR also increased as plant density and time to harvest increased. An EYR of 11 g m-2 day-1 was predicted to occur at 86 plants/m2 and harvest 50 DAP. SHI and YER were not affected by plant density. However, the highest values of SHI (64%) and YER (1.3 g m-2 day-1 g-1) were attained when cowpeas were harvested 20 DAP. The average fat and ash contents [dry-weight basis (dwb)] of harvested leaves remained constant regardless of harvest time. Average protein content increased from 25% DW at 30 DAP to 45% DW at 50 DAP. Carbohydrate content declined from 50% DW at 30 DAP to 45% DW at 50 DAP. Total dietary fiber content (dwb) of the leaves increased from 19% to 26% as time to harvest increased from 20 to 50 days.

Estimation of restaurant solid waste generation rates

International Nuclear Information System (INIS)

Heck, H.H.; Major, I.

2002-01-01

Most solid waste utilities try to create a billing schedule that is proportional to solid waste generation rates. This research was trying to determine if the current billing rate structure was appropriate or if a different rate structure should be implemented. A multiple regression model with forward stepwise addition was developed which accurately predicts weekly solid waste generation rates for restaurants. The model was based on a study of daily solid waste generation at twenty-one different businesses. The weight and volume of solid waste generated was measure daily for two weeks during the winter and two weeks during the summer. Researchers followed the collection truck and measured the volume and weight of the container contents. Data was collected on the following independent variables describing each establishment; weight of waste per collection, volume per collection, container utilization factor, building area, contract haulers bill, yearly property tax, yearly solid waste tax, average number of collections per week, type of restaurant, modal number of collections per week, storage container size, waste density, number of employees, number of hours open per week, and weekly collection capacity (collections per week times storage container size). Independent variables were added to the regression equation based on their partial correlation coefficient and confidence level. The regression equations developed had correlation coefficients of 0.87 to 1.00, which was much better than the correlation coefficient (0.84) of an existing model DeGeare and Ongerth (1971) and a correlation coefficient of 0.54 based on the current solid waste disposal tax. (author)

High energy density matter issues related to future circular collider. Simulations of full beam impact with a solid copper cylindrical target

Energy Technology Data Exchange (ETDEWEB)

Tahir, N.A. [GSI Helmholtzzentrum fuer Schwerionenforschung, Darmstadt (Germany); Burkart, F.; Schmidt, R.; Wollmann, D. [CERN-AB, Geneva (Switzerland); Shutov, A. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Piriz, A.R. [E.T.S.I. Industrials, University of Castilla-La Mancha, Ciudad Real (Spain)

2017-11-15

This paper presents numerical simulations of the thermodynamic and hydrodynamic response of a solid copper cylindrical target that is subjected to the full impact of one future circular collider (FCC) ultra-relativistic proton beam. The target is facially irradiated so that the beam axis coincides with the cylinder axis. The simulations have been carried out employing an energy deposition code, FLUKA, and a 2D hydrodynamic code, BIG2, iteratively. The simulations show that, although the static range of a single FCC proton and its shower in solid copper is ∝1.5 m, the full beam may penetrate up to 350 m into the target as a result of hydrodynamic tunnelling. Moreover, simulations also show that a major part of the target is converted into high energy density (HED) matter, including warm dense matter (WDM) and strongly coupled plasma. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Factors affecting the density of Brassica napus seeds

NARCIS (Netherlands)

Young, L.; Jalink, H.; Denkert, R.; Reaney, M.

2006-01-01

Brassica napus seed is composed of low density oil (0.92 g.cm(-3)) and higher density solids (1.3-1.45 g.cm(-3)). Seed buoyant density may potentially be used to determine seed oil content and to separate seeds with different oil contents, however, we have found that seeds with the lowest buoyant

Correlated electron dynamics and memory in time-dependent density functional theory

International Nuclear Information System (INIS)

Thiele, Mark

2009-01-01

Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

Correlated electron dynamics and memory in time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Thiele, Mark

2009-07-28

Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

Comparative measurement of the neutral density and particle confinement time in EBT

International Nuclear Information System (INIS)

Glowienka, J.C.; Richards, R.K.

1985-11-01

The neutral density and particle confinement time in the ELMO Bumpy Torus-Scale Experiment (EBT-S) have been determined by two different techniques. These involve a spectroscopic measurement of molecular and atomic hydrogen emissions and a time-decay measurement of a fast-ion population using a diagnostic neutral beam. The results from both diagnostics exhibit identical trends for either estimate, although the absolute values differ by a factor of 2 to 3. The observed variations with fill gas pressure and microwave power from either technique are consistent with measurements of electron density and temperature. In this paper, the measurement techniques are discussed, and the results are compared in the context of consistency with independently observed plasma behavior. 6 refs., 7 figs

Solid malignant neoplasms after childhood irradiation: decrease of the relative risk with time after irradiation

International Nuclear Information System (INIS)

Vathaire, F. de; Shamsaldin, A.; Grimaud, E.; Campbell, S.; Guerra, M.; Raquin, M.; Hardiman, C.; Jan, P.; Rumeau, N.; Diallo, I.; Nicolazic, G.; Lamon, A.; Oberlin, O.; Cervens, C. de; Suarez, A.; Meresse, V.; Eschwege, F.; Sancho-Garnier, H.; Chavaudra, J.; Lermerle, J.; Bessa, E.; Bell, J.; Hawkins, M.; Schlienger, J.Y.; Panis, X.; Lagrande, J.L.; Gaboriaud, G.; Zucker, J.M.; Daly-Schveitzer, N.

1995-01-01

The pattern of the temporal distribution of solid cancer incidence after irradiation in childhood is not well known, although, its importance in radioprotection is well known. We studied a cohort of 1 055 children from 8 European cancer centres, who received radiotherapy between 1942 and 1985 for a first cancer in childhood. After a mean follow-up of 19 years, 26 children developed a solid second malignant neoplasm (SMN), as compared to 5.6 expected from general population rates. Both the excess relative risk and the excess of absolute risk of solid SMN were higher among children who were younger at time of the irradiation. After reaching a maximum 15 to 20 years after irradiation, the excess relative risk of SMN decreased with time after irradiation, when controlling for age at irradiation and sex. The analysis of the risk of thyroid, brain and breast cancer together, as a function of the dose averaged on these 3 organs lead to similar results. (authors). 16 refs., 8 tabs., 2 figs

High Reversibility of Soft Electrode Materials in All-solid-state Batteries

Directory of Open Access Journals (Sweden)

Atsushi eSakuda

2016-05-01

Full Text Available All-solid-state batteries using inorganic solid electrolytes (SEs are considered to be ideal batteries for electric vehicles (EVs and plug-in hybrid electric vehicles (PHEVs because they are potentially safer than conventional lithium-ion batteries (LIBs. In addition, all-solid-state batteries are expected to have long battery lives owing to the inhibition of chemical side reactions because only lithium ions move through the typically used inorganic SEs. The development of high-energy (more than 300 Wh kg-1 secondary batteries has been eagerly anticipated for years. The application of high-capacity electrode active materials is essential for fabricating such batteries. Recently, we proposed metal polysulfides as new electrode materials. These materials show higher conductivity and density than sulfur, which is advantageous for fabricating batteries with relatively higher energy density. Lithium niobium sulfides, such as Li3NbS4, have relatively high density, conductivity, and rate capability among metal polysulfide materials, and batteries with these materials have capacities high enough to potentially exceed the gravimetric energy density of conventional LIBs.Favorable solid-solid contact between the electrode and electrolyte particles is a key factor for fabricating high performance all-solid-state batteries. Conventional oxide-based positive electrode materials tend to be given rise to cracks during fabrication and/or charge-discharge processes. Here we report all-solid-state cells using lithium niobium sulfide as a positive electrode material, where favorable solid-solid contact was established by using lithium sulfide electrode materials because of their high processability. Cracks were barely observed in the electrode particles in the all-solid-state cells before or after charging and discharging with a high capacity of approx. 400 mAh g-1, suggesting that the lithium niobium sulfide electrode charged and discharged without experiencing

On the locus and spread of pseudo-density functions in the time-frequency plane

NARCIS (Netherlands)

Janssen, A.J.E.M.

1982-01-01

Various time-frequency pseudo-density functions used in signal analysis are compared with respect to spread. Among the members of Cohen's class of pseudo-density functions satisfying the finite support property as well as Moyal's formula, the Wigner distribution is the most well-behaved one in the

Double Lacunary Density and Some Inclusion Results in Locally Solid Riesz Spaces

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S. A. Mohiuddine

2013-01-01

Full Text Available We define the notions of double statistically convergent and double lacunary statistically convergent sequences in locally solid Riesz space and establish some inclusion relations between them. We also prove an extension of a decomposition theorem in this setup. Further, we introduce the concepts of double θ-summable and double statistically lacunary summable in locally solid Riesz space and establish a relationship between these notions.

Solid waste bin detection and classification using Dynamic Time Warping and MLP classifier

Energy Technology Data Exchange (ETDEWEB)

Islam, Md. Shafiqul, E-mail: shafique@eng.ukm.my [Dept. of Electrical, Electronic and Systems Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangore (Malaysia); Hannan, M.A., E-mail: hannan@eng.ukm.my [Dept. of Electrical, Electronic and Systems Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangore (Malaysia); Basri, Hassan [Dept. of Civil and Structural Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangore (Malaysia); Hussain, Aini; Arebey, Maher [Dept. of Electrical, Electronic and Systems Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangore (Malaysia)

2014-02-15

Highlights: • Solid waste bin level detection using Dynamic Time Warping (DTW). • Gabor wavelet filter is used to extract the solid waste image features. • Multi-Layer Perceptron classifier network is used for bin image classification. • The classification performance evaluated by ROC curve analysis. - Abstract: The increasing requirement for Solid Waste Management (SWM) has become a significant challenge for municipal authorities. A number of integrated systems and methods have introduced to overcome this challenge. Many researchers have aimed to develop an ideal SWM system, including approaches involving software-based routing, Geographic Information Systems (GIS), Radio-frequency Identification (RFID), or sensor intelligent bins. Image processing solutions for the Solid Waste (SW) collection have also been developed; however, during capturing the bin image, it is challenging to position the camera for getting a bin area centralized image. As yet, there is no ideal system which can correctly estimate the amount of SW. This paper briefly discusses an efficient image processing solution to overcome these problems. Dynamic Time Warping (DTW) was used for detecting and cropping the bin area and Gabor wavelet (GW) was introduced for feature extraction of the waste bin image. Image features were used to train the classifier. A Multi-Layer Perceptron (MLP) classifier was used to classify the waste bin level and estimate the amount of waste inside the bin. The area under the Receiver Operating Characteristic (ROC) curves was used to statistically evaluate classifier performance. The results of this developed system are comparable to previous image processing based system. The system demonstration using DTW with GW for feature extraction and an MLP classifier led to promising results with respect to the accuracy of waste level estimation (98.50%). The application can be used to optimize the routing of waste collection based on the estimated bin level.

Plasmas produced by incident laser in solids

International Nuclear Information System (INIS)

Oliveira Campos, D. de; Boeckelmann, H.K.

1984-01-01

The experimental arrangement for plasma production by incident laser in solids and a system of diagnostics are presented. The system of diagnostics allows: verify the plasma generation and expansion through the ultrahigh-speed photography; obtain measurements of temperature and density by spectroscopy (using an optical analyser of multichannels) and obtain measurements of kinetic energy of ions through his fly time, using a 'Faraday cup'. A vacuum system with an adsorption pump for pre-vacuum and ionic pump was used to reduce pressure and avoid mechanical vibrations and system contaminations. (M.C.K.) [pt

Density Anomalies in the Mantle and the Gravitational Core-Mantle Interaction

Science.gov (United States)

Kuang, Weijia; Liu, Lanbo

2003-01-01

Seismic studies suggest that the bulk of the mantle is heterogeneous, with density variations in depth as well as in horizontal directions (latitude and longitude). This density variation produces a three- dimensional gravity field throughout the Earth. On the other hand, the core density also varies in both time and space, due to convective core flow. Consequently, the fluid outer core and the solid mantle interact gravitationally due to the mass anomalies in both regions. This gravitational core-mantle interaction could play a significant role in exchange of angular momentum between the core and the mantle, and thus the change in Earth's rotation on time scales of decades and longer. Aiming at estimating the significance of the gravitational core-mantle interaction on Earth's rotation variation, we introduce in our MoSST core dynamics model a heterogeneous mantle, with a density distribution derived from seismic results. In this model, the core convection is driven by the buoyancy forces. And the density variation is determined dynamically with the convection. Numerical simulation is carried out with different parameter values, intending to extrapolate numerical results for geophysical implications.

Atomistic Modeling of the Fluid-Solid Interface in Simple Fluids

Science.gov (United States)

Hadjiconstantinou, Nicolas; Wang, Gerald

2017-11-01

Fluids can exhibit pronounced structuring effects near a solid boundary, typically manifested in a layered structure that has been extensively shown to directly affect transport across the interface. We present and discuss several results from molecular-mechanical modeling and molecular-dynamics (MD) simulations aimed at characterizing the structure of the first fluid layer directly adjacent to the solid. We identify a new dimensionless group - termed the Wall number - which characterizes the degree of fluid layering, by comparing the competing effects of wall-fluid interaction and thermal energy. We find that in the layering regime, several key features of the first layer layer - including its distance from the solid, its width, and its areal density - can be described using mean-field-energy arguments, as well as asymptotic analysis of the Nernst-Planck equation. For dense fluids, the areal density and the width of the first layer can be related to the bulk fluid density using a simple scaling relation. MD simulations show that these results are broadly applicable and robust to the presence of a second confining solid boundary, different choices of wall structure and thermalization, strengths of fluid-solid interaction, and wall geometries.

Controlling of merging electric field and IMF magnitude on storm-time changes in thermospheric mass density

Directory of Open Access Journals (Sweden)

Y. L. Zhou

2013-01-01

Full Text Available The controls of merging electrical field, Em, and IMF (interplanetary magnetic field magnitude, B, on the storm-time changes in upper thermospheric mass density are statistically investigated using GRACE accelerometer observations and the OMNI data of solar wind and IMF for 35 great storms during 2002–2006. It reveals the following: (1 The correlation coefficients between the air mass density changes and the parameters of Em and B are generally larger at lower latitudes than at higher latitudes, and larger in noon and midnight sectors than in dawn and dusk. (2 The most likely delay time (MLDT of mass density changes in respect to Em is about 1.5 h (4.5 h at high (low latitudes, having no distinct local time dependence, while it is 6 h at middle latitudes in all the local time sectors except for noon, which is longer than at low latitudes. A similar fact of longer delay time at mid-latitude is also seen for B. The MLDTs for B at various latitudes are all local time dependent distinctly with shorter delay time in noon/midnight sector and larger in dawn/dusk. Despite of widely spread of the delay time, IMF B exhibits still larger correlation coefficients with mass density changes among the interplanetary parameters. (3 The linear control factor of B on the density changes increases for large B, in contrast to somewhat saturation trend for larger Em. (4 The influence of B and Em on the mass densities shows different behavior for different types of storms. The influence intensity of Em is much stronger for CIR-driven than for CME-driven storm, while it is not so distinct for B. On the local time asymmetry of the influence, both Em and B have largest influence at noon sector for CME-driven storms, while an obviously larger intensification of the influence is found in dawn/dusk sector during CIR storms, especially for parameter Em.

STUDY OF EFFECTIVE TIME OF UNDILUTED FIXINGSOLUTIONS INLIGHTENING OF THE HIGH DENSITY PERIAPICAL RADIOGRAPHS

Directory of Open Access Journals (Sweden)

A ZAMANI NASER

2003-12-01

Full Text Available Introduction: Dental radiographs are occationally too dark because of different reasons such as over exposure, high concen-tration of developing solution and over development. Different chemicals are used to lighten these radiographs. In this research the undiluted fixed solution for the first time are tested and efficiency time of this solution in reducing the density of dark radiographs were evaluated. Method: Use of a dry mandible containing some teeth and 98 E speed periapical radiographs were prepared as foolow: A film wasexposed with 0.4 S... as positive control (ideal. 97 films were exposed with 1.8 S (dark and unreadable. Out of 97, one radiograph kept as positive control and remaining films prepared for study. All of radiographs developed and fixed with automatic processor in the same conditio. Out of 96 dark radiograph, 3 was used for pilot study and inserted in the undiluted fixing solution in different time. (2.5, 3 and 3.5 hrs. The result of pilot study showed that aii3 radiographs showed reductionin density and radiographs with her reduction time was closest to positive control for density and diognostic quality and radiograph with 2.5 hrs reduction time and 3.5 hre became darker and lighter as compared to positive control. The remaining 93 high density radiographs were divided into 3 groups, 31 in each group (group 1,2 and 3 first group 2.5 hrs, second 3 hrs and the third group 3.5 hrs were kept in undiluted fixed solution. for this, disposable glasses were used and in each glass a radiograph were inserted. The research time was spring and the temperature was about 2609 (without coolant. Evaluation of radiographs: For evaluation of radiographs 2 methods were used: First method used was: Densitometry: By this method the density of total lightened radiographs, positive control and negative control were determined. Another method was determined diagnostic quality of radiographs visually by radiologists, throng this way: Special

Hydrodynamic perspective on memory in time-dependent density-functional theory

International Nuclear Information System (INIS)

Thiele, M.; Kuemmel, S.

2009-01-01

The adiabatic approximation of time-dependent density-functional theory is studied in the context of nonlinear excitations of two-electron singlet systems. We compare the exact time evolution of these systems to the adiabatically exact one obtained from time-dependent Kohn-Sham calculations relying on the exact ground-state exchange-correlation potential. Thus, we can show under which conditions the adiabatic approximation breaks down and memory effects become important. The hydrodynamic formulation of quantum mechanics allows us to interpret these results and relate them to dissipative effects in the Kohn-Sham system. We show how the breakdown of the adiabatic approximation can be inferred from the rate of change of the ground-state noninteracting kinetic energy.

Measurements of the plasma density in the FTU tokamak by a pulsed time-of-flight X-wave refractometer

International Nuclear Information System (INIS)

Petrov, V. G.; Petrov, A. A.; Malyshev, A. Yu.; De Benedetti, M.; Tudisco, O.

2008-01-01

On-line control over the plasma density in tokamaks (especially, in long-term discharges) requires reliable measurements of the averaged plasma density. For this purpose, a new method of density measurements-a pulsed time-of-flight plasma refractometry-was developed and tested in the T-11M tokamak. This method allows one to determine the averaged density from the measured time delay of nanosecond microwave pulses propagating through the plasma. For an O-wave, the measured time delay is proportional to the line-averaged density and is independent of the density profile (f>>f p ) τ o ∼ k o 1/f 2 ∫ l N(x)dx. Here, f is the frequency of the probing wave, f p is the plasma frequency, l= 4 a is the path length for two-pass probing in the equatorial plane, a is the plasma minor radius, k O and k X are numerical factors, f c is the electron-cyclotron frequency at the axis of the plasma column, and f p >>f c , f. Measurements of the time delay provide the same information as plasma interferometry, though they do no employ the effect of interference. When the conditions f p >>f c , f are not satisfied, the measured time delay depends on the shape of the density profile. In this case, in order to determine the average density regardless of the density profile, it is necessary to perform simultaneous measurements at several probing frequencies in order to determine the average density. In ITER (Bt ∼ 5T), a spectral window between the lower and upper cutoff frequencies in the range of 50-100 GHz can be used for pulsed time-of-flight X-wave refractometry. This appreciably simplifies the diagnostics and eliminates the problem of the first mirror. In this paper, the first results obtained in the FTU tokamak with a prototype of the ITER pulsed time-of-flight refractometer are presented. The geometry and layout of experiments similar to the planned ITER experiments are described. The density measured by pulsed time-of-flight refractometry is shown to agree well with the

Real-Time Inhibitor Recession Measurements in Two Space Shuttle Reusable Solid Rocket Motors

Science.gov (United States)

McWhorter, B. B.; Ewing, M. E.; Bolton, D. E.; Albrechtsen, K. U.; Earnest, T. E.; Noble, T. C.; Longaker, M.

2003-01-01

Real-time internal motor insulation char line recession measurements have been evaluated for two full-scale static tests of the Space Shuttle Reusable Solid Rocket Motor (RSRM). These char line recession measurements were recorded on the forward facing propellant grain inhibitors to better understand the thermal performance of these inhibitors. The RSRM propellant grain inhibitors are designed to erode away during motor operation, thus making it difficult to use post-fire observations to determine inhibitor thermal performance. Therefore, this new internal motor instrumentation is invaluable in establishing an accurate understanding of inhibitor recession versus motor operation time. The data for the first test was presented at the 37th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit (AIAA 2001-3280) in July 2001. Since that time, a second full scale static test has delivered additional real-time data on inhibitor thermal performance. The evaluation of this data is presented in this paper. The second static test, in contrast to the first test, used a slightly different arrangement of instrumentation in the inhibitors. This instrumentation has yielded a better understanding of the inhibitor time dependent inboard tip recession. Graphs of inhibitor recession profiles with time are presented. Inhibitor thermal ablation models have been created from theoretical principals. The model predictions compare favorably with data from both tests. This verified modeling effort is important to support new inhibitor designs for a five segment Space Shuttle solid rocket motor. The internal instrumentation project on RSRM static tests is providing unique opportunities for other real-time internal motor measurements that could not otherwise be directly quantified.

Dynamic polarization in paramagnetic solids and microscopic correlation functions

International Nuclear Information System (INIS)

Boucher, Jean-Paul

1972-01-01

The different effects of Dynamic Nuclear Polarization in paramagnetic solids are described by means of a single thermodynamic formalism. In the case of large exchange interactions, the Overhauser effect correlated with nuclear relaxation time measurements can provide a way of studying correlation functions between electronic spins. This method is used to study the low-frequency behaviour of the microscopic spectral density which should diverge as ω → 0, in the case of a linear exchange chain. (author) [fr

High Reversibility of “Soft” Electrode Materials in All-Solid-State Batteries

Energy Technology Data Exchange (ETDEWEB)

Sakuda, Atsushi, E-mail: a.sakuda@aist.go.jp; Takeuchi, Tomonari, E-mail: a.sakuda@aist.go.jp; Shikano, Masahiro; Sakaebe, Hikari; Kobayashi, Hironori [Department of Energy and Environment, Research Institute for Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda (Japan)

2016-05-10

All-solid-state batteries using inorganic solid electrolytes (SEs) are considered to be ideal batteries for electric vehicles and plug-in hybrid electric vehicles because they are potentially safer than conventional lithium-ion batteries (LIBs). In addition, all-solid-state batteries are expected to have long battery life owing to the inhibition of chemical side reactions because only lithium ions move through the typically used inorganic SEs. The development of high-energy density (more than 300 Wh kg{sup −1}) secondary batteries has been eagerly anticipated for years. The application of high-capacity electrode active materials is essential for fabricating such batteries. Recently, we proposed metal polysulfides as new electrode materials. These materials show higher conductivity and density than sulfur, which is advantageous for fabricating batteries with relatively higher energy density. Lithium niobium sulfides, such as Li{sub 3}NbS{sub 4}, have relatively high density, conductivity, and rate capability among metal polysulfide materials, and batteries with these materials have capacities high enough to potentially exceed the gravimetric-energy density of conventional LIBs. Favorable solid–solid contact between the electrode and electrolyte particles is a key factor for fabricating high performance all-solid-state batteries. Conventional oxide-based positive electrode materials tend to give rise to cracks during fabrication and/or charge–discharge processes. Here, we report all-solid-state cells using lithium niobium sulfide as a positive electrode material, where favorable solid–solid contact was established by using lithium sulfide electrode materials because of their high processability. Cracks were barely observed in the electrode particles in the all-solid-state cells before or after charging and discharging with a high capacity of approximately 400 mAh g{sup −1} suggesting that the lithium niobium sulfide electrode charged and discharged without

High Reversibility of “Soft” Electrode Materials in All-Solid-State Batteries

International Nuclear Information System (INIS)

Sakuda, Atsushi; Takeuchi, Tomonari; Shikano, Masahiro; Sakaebe, Hikari; Kobayashi, Hironori

2016-01-01

All-solid-state batteries using inorganic solid electrolytes (SEs) are considered to be ideal batteries for electric vehicles and plug-in hybrid electric vehicles because they are potentially safer than conventional lithium-ion batteries (LIBs). In addition, all-solid-state batteries are expected to have long battery life owing to the inhibition of chemical side reactions because only lithium ions move through the typically used inorganic SEs. The development of high-energy density (more than 300 Wh kg −1 ) secondary batteries has been eagerly anticipated for years. The application of high-capacity electrode active materials is essential for fabricating such batteries. Recently, we proposed metal polysulfides as new electrode materials. These materials show higher conductivity and density than sulfur, which is advantageous for fabricating batteries with relatively higher energy density. Lithium niobium sulfides, such as Li 3 NbS 4 , have relatively high density, conductivity, and rate capability among metal polysulfide materials, and batteries with these materials have capacities high enough to potentially exceed the gravimetric-energy density of conventional LIBs. Favorable solid–solid contact between the electrode and electrolyte particles is a key factor for fabricating high performance all-solid-state batteries. Conventional oxide-based positive electrode materials tend to give rise to cracks during fabrication and/or charge–discharge processes. Here, we report all-solid-state cells using lithium niobium sulfide as a positive electrode material, where favorable solid–solid contact was established by using lithium sulfide electrode materials because of their high processability. Cracks were barely observed in the electrode particles in the all-solid-state cells before or after charging and discharging with a high capacity of approximately 400 mAh g −1 suggesting that the lithium niobium sulfide electrode charged and discharged without experiencing

Tile Drainage Density Reduces Groundwater Travel Times and Compromises Riparian Buffer Effectiveness.

Science.gov (United States)

Schilling, Keith E; Wolter, Calvin F; Isenhart, Thomas M; Schultz, Richard C

2015-11-01

Strategies to reduce nitrate-nitrogen (nitrate) pollution delivered to streams often seek to increase groundwater residence time to achieve measureable results, yet the effects of tile drainage on residence time have not been well documented. In this study, we used a geographic information system groundwater travel time model to quantify the effects of artificial subsurface drainage on groundwater travel times in the 7443-ha Bear Creek watershed in north-central Iowa. Our objectives were to evaluate how mean groundwater travel times changed with increasing drainage intensity and to assess how tile drainage density reduces groundwater contributions to riparian buffers. Results indicate that mean groundwater travel times are reduced with increasing degrees of tile drainage. Mean groundwater travel times decreased from 5.6 to 1.1 yr, with drainage densities ranging from 0.005 m (7.6 mi) to 0.04 m (62 mi), respectively. Model simulations indicate that mean travel times with tile drainage are more than 150 times faster than those that existed before settlement. With intensive drainage, less than 2% of the groundwater in the basin appears to flow through a perennial stream buffer, thereby reducing the effectiveness of this practice to reduce stream nitrate loads. Hence, strategies, such as reconnecting tile drainage to buffers, are promising because they increase groundwater residence times in tile-drained watersheds. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Kajian Pemilihan Sumber Mikroorganisme Solid Phase Microbial Fuel Cell (SMFC Berdasarkan Jenis dan Volume Sampah, Power Density dan Efisiensi Penurunan COD

Directory of Open Access Journals (Sweden)

Ganjar Samudro

2017-06-01

Full Text Available Mikroorganisme merupakan salah satu komponen penting dalam proses Solid Phase Microbial Fuel Cell (SMFC untuk degradasi bahan organik dan transfer elektron. Pemilihan sumber mikroorganisme menjadi metode yang paling sederhana untuk dikaji sebagai informasi awal ketersediaan dan identifikasi jenis mikroorganisme yang mendukung proses SMFC. Tujuan kajian ini adalah untuk memilih sumber mikroorganisme tanah, septic tank dan sedimen sungai yang tepat digunakan dalam proses SMFC berdasarkan jenis dan volume sampah, power density, dan efisiensi penurunan COD. Kajian ini didasarkan pada hasil penelitian menggunakan reaktor SMFC tipe single chamber microbial fuel cell dengan variabel jenis dan volume sampah , serta sumber mikroorganisme. Metode perbandingan secara kuantitatif dilakukan berdasarkan kecenderungan nilai power density dan efisiensi penurunan COD tertinggi di antara jenis dan volume sampah kantin, dedaunan dan komposit kantin-dedaunan. Hasil yang didapatkan adalah sumber mikroorganisme tanah dan sedimen sungai tepat digunakan untuk volume sampah 1/3 dan 2/3 dari volume reaktor, sedangkan sumber mikroorganisme septic tank tepat digunakan untuk volume sampah 1/3 dan 1/2 dari volume reaktor. Sumber mikroorganisme dari septic tank menunjukkan kinerja power density dan efisiensi penurunan COD yang lebih rendah dibandingkan sumber mikroorganisme tanah dan sedimen sungai.

Molecular mechanics and structure of the fluid-solid interface in simple fluids

Science.gov (United States)

Wang, Gerald J.; Hadjiconstantinou, Nicolas G.

2017-09-01

Near a fluid-solid interface, the fluid spatial density profile is highly nonuniform at the molecular scale. This nonuniformity can have profound effects on the dynamical behavior of the fluid and has been shown to play an especially important role when modeling a wide variety of nanoscale heat and momentum transfer phenomena. We use molecular-mechanics arguments and molecular-dynamics (MD) simulations to develop a better understanding of the structure of the first fluid layer directly adjacent to the solid in the layering regime, as delineated by a nondimensional number that compares the effects of wall-fluid interaction to thermal energy. Using asymptotic analysis of the Nernst-Planck equation, we show that features of the fluid density profile close to the wall, such as the areal density of the first layer ΣFL (defined as the number of atoms in this layer per unit of fluid-solid interfacial area), can be expressed as polynomial functions of the fluid average density ρave. This is found to be in agreement with MD simulations, which also show that the width of the first layer hFL is a linear function of the average density and only a weak function of the temperature T . These results can be combined to show that, for system average densities corresponding to a dense fluid (ρave≥0.7 ), the ratio C ≡ΣFLρavehFL, representing a density enhancement with respect to the bulk fluid, depends only weakly on temperature and is essentially independent of density. Further MD simulations suggest that the above results, nominally valid for large systems (solid in contact with semi-infinite fluid), also describe fluid-solid interfaces under considerable nanoconfinement, provided ρave is appropriately defined.

Adaptive density trajectory cluster based on time and space distance

Science.gov (United States)

Liu, Fagui; Zhang, Zhijie

2017-10-01

There are some hotspot problems remaining in trajectory cluster for discovering mobile behavior regularity, such as the computation of distance between sub trajectories, the setting of parameter values in cluster algorithm and the uncertainty/boundary problem of data set. As a result, based on the time and space, this paper tries to define the calculation method of distance between sub trajectories. The significance of distance calculation for sub trajectories is to clearly reveal the differences in moving trajectories and to promote the accuracy of cluster algorithm. Besides, a novel adaptive density trajectory cluster algorithm is proposed, in which cluster radius is computed through using the density of data distribution. In addition, cluster centers and number are selected by a certain strategy automatically, and uncertainty/boundary problem of data set is solved by designed weighted rough c-means. Experimental results demonstrate that the proposed algorithm can perform the fuzzy trajectory cluster effectively on the basis of the time and space distance, and obtain the optimal cluster centers and rich cluster results information adaptably for excavating the features of mobile behavior in mobile and sociology network.

3-D time-domain induced polarization tomography: a new approach based on a source current density formulation

Science.gov (United States)

Soueid Ahmed, A.; Revil, A.

2018-04-01

Induced polarization (IP) of porous rocks can be associated with a secondary source current density, which is proportional to both the intrinsic chargeability and the primary (applied) current density. This gives the possibility of reformulating the time domain induced polarization (TDIP) problem as a time-dependent self-potential-type problem. This new approach implies a change of strategy regarding data acquisition and inversion, allowing major time savings for both. For inverting TDIP data, we first retrieve the electrical resistivity distribution. Then, we use this electrical resistivity distribution to reconstruct the primary current density during the injection/retrieval of the (primary) current between the current electrodes A and B. The time-lapse secondary source current density distribution is determined given the primary source current density and a distribution of chargeability (forward modelling step). The inverse problem is linear between the secondary voltages (measured at all the electrodes) and the computed secondary source current density. A kernel matrix relating the secondary observed voltages data to the source current density model is computed once (using the electrical conductivity distribution), and then used throughout the inversion process. This recovered source current density model is in turn used to estimate the time-dependent chargeability (normalized voltages) in each cell of the domain of interest. Assuming a Cole-Cole model for simplicity, we can reconstruct the 3-D distributions of the relaxation time τ and the Cole-Cole exponent c by fitting the intrinsic chargeability decay curve to a Cole-Cole relaxation model for each cell. Two simple cases are studied in details to explain this new approach. In the first case, we estimate the Cole-Cole parameters as well as the source current density field from a synthetic TDIP data set. Our approach is successfully able to reveal the presence of the anomaly and to invert its Cole

Rayleigh-Taylor instability in accelerated elastic-solid slabs

Science.gov (United States)

Piriz, S. A.; Piriz, A. R.; Tahir, N. A.

2017-12-01

We develop the linear theory for the asymptotic growth of the incompressible Rayleigh-Taylor instability of an accelerated solid slab of density ρ2, shear modulus G , and thickness h , placed over a semi-infinite ideal fluid of density ρ110.1007/s000330050121] to arbitrary values of AT and unveil the singular feature of an instability threshold below which the slab is stable for any perturbation wavelength. As a consequence, an accelerated elastic-solid slab is stable if ρ2g h /G ≤2 (1 -AT) /AT .

Comparative evaluation of torrefaction and hydrothermal carbonization of lignocellulosic biomass for the production of solid biofuel

International Nuclear Information System (INIS)

Kambo, Harpreet Singh; Dutta, Animesh

2015-01-01

Highlights: • A comparative characterization of HTC and torrefaction is proposed. • The reaction temperature is the most governing parameter in the HTC process. • The inorganic compositions of biomass were significantly reduced via HTC. • The hydrochar produced at 260 °C shows fuel qualities comparable to that of coal. - Abstract: The work presented in this study demonstrates the potential of using hydrothermal carbonization (HTC) on miscanthus feedstock for the production of a carbon-rich solid fuel, referred to as hydrochar, whose physicochemical properties are comparable to that of coal. The effects of the processing conditions on the mass yield, energy yield and higher heating values (HHVs) were examined by varying the reaction temperature (190, 225, and 260 °C), the reaction time (5, 15, and 30 min) and the feedstock-to-water ratio (1:6 and 1:12). The results show that the reaction temperature is the most significant parameter governing the physicochemical properties of biomass. Increasing reaction temperature reduces the mass yield; however, it also significantly enhances the energy density of solid products. The hydrochar samples produced at 260 °C show a maximum energy density of 26–30 MJ/kg, with 66–74% of energy retained in the solid product. In comparison, the energy density, grindability, and hydrophobicity of the solid samples produced via torrefaction (a conventional thermal pre-treatment) were considerably lower than the hydrochar samples, even if the reaction time was kept much higher than HTC. Furthermore, the inorganic metallic composition of miscanthus feedstock almost remained unaffected after torrefaction; however, it was significantly reduced (30–70%) via HTC.

Multiple time scale analysis of pressure oscillations in solid rocket motors

Science.gov (United States)

Ahmed, Waqas; Maqsood, Adnan; Riaz, Rizwan

2018-03-01

In this study, acoustic pressure oscillations for single and coupled longitudinal acoustic modes in Solid Rocket Motor (SRM) are investigated using Multiple Time Scales (MTS) method. Two independent time scales are introduced. The oscillations occur on fast time scale whereas the amplitude and phase changes on slow time scale. Hopf bifurcation is employed to investigate the properties of the solution. The supercritical bifurcation phenomenon is observed for linearly unstable system. The amplitude of the oscillations result from equal energy gain and loss rates of longitudinal acoustic modes. The effect of linear instability and frequency of longitudinal modes on amplitude and phase of oscillations are determined for both single and coupled modes. For both cases, the maximum amplitude of oscillations decreases with the frequency of acoustic mode and linear instability of SRM. The comparison of analytical MTS results and numerical simulations demonstrate an excellent agreement.

The effect of ultrasonic pretreatment on biogas generation yield from organic fraction of municipal solid waste under medium solids concentration circumstance

International Nuclear Information System (INIS)

Rasapoor, Mazdak; Ajabshirchi, Yahya; Adl, Mehrdad; Abdi, Reza; Gharibi, Arash

2016-01-01

Highlights: • Ultrasonic pretreatment improved biogas yields at lower TS content samples. • Time of ultrasonication was significantly effective on maximum biogas yields. • Ultrasonic pretreatment can cause the release of TVFA content before digestion. • Specific energy between 5000 kJ/kg TS and 10,000 kJ/kg TS improved biogas yields. - Abstract: Hydrolysis is the most rate limiting step in almost all anaerobic digestion systems. To tackle long time duration, ultrasonic pretreatment proved that it can effectively improve biogas yield efficiency by effecting on soluble particles. In this study, the effect of three different ultrasonic power densities (0.2 W/mL, 0.4 W/mL and 0.6 W/mL) at three different times (10 min, 20 min and 30 min) on biogas yield of organic fraction of municipal solid waste (OFMSW) at three different total solid content (6%, 8% and 10%) were analyzed. Results showed significant (p < 0.01) effect of both sonication density and time of sonication on biogas final yield and biogas yield after 72 h digestion with the 6% TS content. Parameters like specific energy input and total volatile fatty acid (TVFA) content were also evaluated to find the best sonication treatments for OFMSW. For lower TS contents (6% and 8%), sonication treatment significantly (p < 0.01) increased TVFA concentration before digesting. It is also proved that specific energy input between 5000 kJ/kg TS and 10,000 kJ/kg TS can effectively increase the biogas yields, especially for 6% TS content, and caused maximum biogas yield produced after 72 h of digestion.

Lithium-Based High Energy Density Flow Batteries

Science.gov (United States)

Bugga, Ratnakumar V. (Inventor); West, William C. (Inventor); Kindler, Andrew (Inventor); Smart, Marshall C. (Inventor)

2014-01-01

Systems and methods in accordance with embodiments of the invention implement a lithium-based high energy density flow battery. In one embodiment, a lithium-based high energy density flow battery includes a first anodic conductive solution that includes a lithium polyaromatic hydrocarbon complex dissolved in a solvent, a second cathodic conductive solution that includes a cathodic complex dissolved in a solvent, a solid lithium ion conductor disposed so as to separate the first solution from the second solution, such that the first conductive solution, the second conductive solution, and the solid lithium ionic conductor define a circuit, where when the circuit is closed, lithium from the lithium polyaromatic hydrocarbon complex in the first conductive solution dissociates from the lithium polyaromatic hydrocarbon complex, migrates through the solid lithium ionic conductor, and associates with the cathodic complex of the second conductive solution, and a current is generated.

Solids loading evaluation for HB-line scrap recovery filters

International Nuclear Information System (INIS)

Crowder, M.L.

2000-01-01

The HB-Line Scrap Recovery facility uses wire screen filters to remove solids from plutonium-containing solutions transferred from the slab tank dissolvers. At times, the accumulation of solids is large enough to cause blinding (i.e., pluggage) of the filters. If the solids contain undissolved plutonium, significant accumulation of fissile material could impact operations. To address this potential issue, experiments were performed to define the minimum solids required to completely blind a filter. The solids loading experiments were performed by arranging 25- and 10-microm HB-Line filters in series to simulate the equipment in the scrap recovery process. Separate tests were performed using coarse and fine glass frit and cerium oxide powder suspended in 35 wt% sodium nitrate solution using a small turbine mixer. The solution and solids were transferred from a reservoir through the filter housings by vacuum. In each case, the 25-microm filter blinded first and was full of wet cake. After drying and accounting for the sodium nitrate in the filter cake, the following results were obtained. The results of the solids loading tests demonstrated that at least 800 g of solids accumulated in the filter housing before flow stopped. The actual amount of collected material was dependent upon the physical properties of the solids such as density and particle size. The mass of solids collected by the blinded 25-microm filter increased when successively finer solids were used in the experiments. Based on these results, one should anticipate that filters in the HB-Line Scrap Recovery Facility have the potential to collect similar quantities of material before transfer of solution from the dissolvers is severely impacted

Solid on liquid deposition, a review of technological solutions

OpenAIRE

Homsy, Alexandra; Laux, Edith; Jeandupeux, Laure; Charmet, Jérôme; Bitterli, Roland; Botta, Chiara; Rebetez, Yves; Banakh, Oksana; Keppner, Herbert

2015-01-01

Solid-on-liquid deposition (SOLID) techniques are of great interest to the MEMS and NEMS (Micro- and Nano Electro Mechanical Systems) community because of potential applications in biomedical engineering, on-chip liquid trapping, tunable micro-lenses, and replacements of gate oxides. However, depositing solids on liquid with subsequent hermetic sealing is difficult because liquids tend to have a lower density than solids. Furthermore, current systems seen in nature lack thermal, mechanical or...

Application of gamma-ray absorptiometry in the hydraulic transport of solids

International Nuclear Information System (INIS)

Fanger, H.U.; Michaelis, W.; Pepelnik, R.; The, H.L.

1978-01-01

The paper describes the development and application of advanced γ-ray absorptiometry techniques that may successfully be applied for the non-contact determination of medium density, local space concentrations, particle drift speeds and mass flows in transport systems. This improves the accuracy of density analysis and allows the measurement of the individual solid fraction contents in three-component flows, such as coal and rock or sediment and brine in water. Likewise, solid-air-water mixtures in air-lift systems may be analysed. Sufficient differences in the attenuation coefficients (i.e. mass density and/or chemical Z number) are requisites of this technique. The chemical composition of the components should be constant, more or less, and has to be known. The particle size does not affect the measurement up to a critical value which depends strongly on the material composition and the γ-ray energies used. For measuring the mean drift velocity of particles, a γ-ray transmission device with two equivalent radioactive sources and detectors is utilized. Both gamma-ray gates are arranged in a properly chosen distance, one after the other in the direction of flow. By using cross-correlation analysis, phase shift and mean velocity can be deduced from the dc-current modulations at the detector outputs. At the same time this measuring principle delivers the mean particle size and the size distribution in conveyor flows. Combination of space concentration and drift velocity yields the mass transport per unit time. (HP) [de

Development of Solid Ceramic Dosimeters for the Time-Integrative Passive Sampling of Volatile Organic Compounds in Waters.

Science.gov (United States)

Bonifacio, Riza Gabriela; Nam, Go-Un; Eom, In-Yong; Hong, Yong-Seok

2017-11-07

Time-integrative passive sampling of volatile organic compounds (VOCs) in water can now be accomplished using a solid ceramic dosimeter. A nonporous ceramic, which excludes the permeation of water, allowing only gas-phase diffusion of VOCs into the resin inside the dosimeter, effectively captured the VOCs. The mass accumulation of 11 VOCs linearly increased with time over a wide range of aqueous-phase concentrations (16.9 to 1100 μg L -1 ), and the linearity was dependent upon the Henry's constant (H). The average diffusivity of the VOCs in the solid ceramic was 1.46 × 10 -10 m 2 s -1 at 25 °C, which was 4 orders of magnitude lower than that in air (8.09 × 10 -6 m 2 s -1 ). This value was 60% greater than that in the water-permeable porous ceramic (0.92 × 10 -10 m 2 s -1 ), suggesting that its mass accumulation could be more effective than that of porous ceramic dosimeters. The mass accumulation of the VOCs in the solid ceramic dosimeter increased in the presence of salt (≥0.1 M) and with increasing temperature (4 to 40 °C) but varied only slightly with dissolved organic matter concentration. The solid ceramic dosimeter was suitable for the field testing and measurement of time-weighted average concentrations of VOC-contaminated waters.

Predictive densities for day-ahead electricity prices using time-adaptive quantile regression

DEFF Research Database (Denmark)

Jónsson, Tryggvi; Pinson, Pierre; Madsen, Henrik

2014-01-01

A large part of the decision-making problems actors of the power system are facing on a daily basis requires scenarios for day-ahead electricity market prices. These scenarios are most likely to be generated based on marginal predictive densities for such prices, then enhanced with a temporal...... dependence structure. A semi-parametric methodology for generating such densities is presented: it includes: (i) a time-adaptive quantile regression model for the 5%–95% quantiles; and (ii) a description of the distribution tails with exponential distributions. The forecasting skill of the proposed model...

Accurate Ground-State Energies of Solids and Molecules from Time-Dependent Density-Functional Theory

DEFF Research Database (Denmark)

Olsen, Thomas; Thygesen, Kristian Sommer

2014-01-01

We demonstrate that ground-state energies approaching chemical accuracy can be obtained by combining the adiabatic-connection fluctuation-dissipation theorem with time-dependent densityfunctional theory. The key ingredient is a renormalization scheme, which eliminates the divergence...

Effects of Sludge Particle Size and Density on Hanford Waste Processing

International Nuclear Information System (INIS)

Poloski, Adam P.; Wells, Beric E.; Mahoney, Lenna A.; Daniel, Richard C.; Tingey, Joel M.; Cooley, Scott K.

2008-01-01

The U.S. Department of Energy Office of River Protection's Waste Treatment and Immobilization Plant (WTP) will process and treat radioactive waste that is stored in tanks at the Hanford Site in southeastern Washington State. Piping and pumps have been selected to transport the high-level waste (HLW) slurries in the WTP. Pipeline critical-velocity calculations for these systems require the input of a bounding particle size and density. Various approaches based on statistical analyses have been used in the past to provide an estimate of this bounding size and density. In this paper, representative particle size and density distributions (PSDDs) of Hanford waste insoluble solids have been developed based on a new approach that relates measured particle-size distributions (PSDs) to solid-phase compounds. This work was achieved through extensive review of available Hanford waste PSDs and solid-phase compound data. Composite PSDs representing the waste in up to 19 Hanford waste tanks were developed, and the insoluble solid-phase compounds for the 177 Hanford waste tanks, their relative fractions, crystal densities, and particle size and shape were developed. With such a large combination of particle sizes and particle densities, a Monte Carlo simulation approach was used to model the PSDDs. Further detail was added by including an agglomeration of these compounds where the agglomerate density was modeled with a fractal dimension relation. The Monte Carlo simulations were constrained to hold the following relationships: (1) the composite PSDs are reproduced, (2) the solid-phase compound mass fractions are reproduced, (3) the expected in situ bulk-solids density is qualitatively reproduced, and (4) a representative fraction of the sludge volume comprising agglomerates is qualitatively reproduced to typical Hanford waste values. Four PSDDs were developed and evaluated. These four PSDD scenarios correspond to permutations where the master PSD was sonicated or not

Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

Science.gov (United States)

Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

2015-03-01

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

Culture and Density Effects on Tree Quality in Midrotation Non-Thinned Loblolly Pine Plantations

Directory of Open Access Journals (Sweden)

P. Corey Green

2018-02-01

Full Text Available Six non-thinned loblolly pine (Pinus taeda L. culture × density study sites in the Piedmont and Upper Coastal Plain of the Southeast U.S. were used to examine the effects of two cultural intensities and three planting densities on solid wood potential as well as the proportion and position of product-defining defects (forks, crooks, broken tops. A tree quality index (TQI was used to grade stems for solid wood potential. The results show that an operational management regime exhibited a higher proportion of trees with solid wood product potential than did a very intensive management regime. Trees subject to operational management exhibited product-defining defects higher on the stem; however, the proportion of stems with defects was not significantly different from the intensive management. Planting densities of 741, 1482, and 2223 trees per hectare (TPH exhibited a relatively narrow range of the proportion of trees with solid wood product potential that were not significantly different. Density did not have a significant effect on the heights of the product-defining defects. These results show that management intensity and less so planting density, affect the solid wood product potential indicators evaluated and should be considered when making management decisions.

Wavelet-based linear-response time-dependent density-functional theory

International Nuclear Information System (INIS)

Natarajan, Bhaarathi; Genovese, Luigi; Casida, Mark E.; Deutsch, Thierry; Burchak, Olga N.

2012-01-01

Highlights: ► We has been implemented LR-TD-DFT in the pseudopotential wavelet-based program. ► We have compared the results against all-electron Gaussian-type program. ► Orbital energies converges significantly faster for BigDFT than for DEMON2K. ► We report the X-ray crystal structure of the small organic molecule flugi6. ► Measured and calculated absorption spectrum of flugi6 is also reported. - Abstract: Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BIGDFT and results are compared against those obtained with the all-electron Gaussian-type orbital program DEMON2K for the calculation of electronic absorption spectra of N 2 using the TD local density approximation (LDA). The two programs give comparable excitation energies and absorption spectra once suitably extensive basis sets are used. Convergence of LDA density orbitals and orbital energies to the basis-set limit is significantly faster for BIGDFT than for DEMON2K. However the number of virtual orbitals used in TD-DFT calculations is a parameter in BIGDFT, while all virtual orbitals are included in TD-DFT calculations in DEMON2K. As a reality check, we report the X-ray crystal structure and the measured and calculated absorption spectrum (excitation energies and oscillator strengths) of the small organic molecule N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1, 2-a]pyridin-3-amine.

Ab initio approach to the ion stopping power at the plasma-solid interface

Science.gov (United States)

Bonitz, Michael; Schlünzen, Niclas; Wulff, Lasse; Joost, Jan-Philip; Balzer, Karsten

2016-10-01

The energy loss of ions in solids is of key relevance for many applications of plasmas, ranging from plasma technology to fusion. Standard approaches are based on density functional theory or SRIM simulations, however, the applicability range and accuracy of these results are difficult to assess, in particular, for low energies. Here we present an independent approach that is based on ab initio nonequilibrium Green functions theory, e.g. that allows to incorporate electronic correlations effects of the solid. We present the first application of this method to low-temperature plasmas, concentrating on proton and alpha-particle stopping in a graphene layer. In addition to the stopping power we present time-dependent results for the local electron density, the spectral function and the photoemission spectrum that is directly accessible in optical, UV or x-ray diagnostics. http://www.itap.uni-kiel.de/theo-physik/bonitz/.

Density functional theory and multiscale materials modeling

Indian Academy of Sciences (India)

One of the vital ingredients in the theoretical tools useful in materials modeling at all the length scales of interest is the concept of density. In the microscopic length scale, it is the electron density that has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids.

Density of states of colloidal glasses and supercooled liquids

NARCIS (Netherlands)

Ghosh, A.; Mari, R.; Chikkadi, V.; Schall, P.; Kurchan, J.; Bonn, D.

2010-01-01

The glass transition is perhaps the greatest unsolved problem in condensed matter physics: the main question is how to reconcile the liquid-like structure with solid-like mechanical properties. In solids, structure and mechanics are related directly through the vibrational density of states of the

Multiscale time-dependent density functional theory: Demonstration for plasmons.

Science.gov (United States)

Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J

2017-08-07

Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.

The use of perturbation theory in density-functional theory

International Nuclear Information System (INIS)

Goerling, A.

1996-01-01

Perturbation theory with respect to the electron-electron interaction leads to expressions for the exchange and correlation energies and potentials in terms of Kohn-Sham orbitals and Kohn-Sham eigenvalues. An exact open-quote exchange-only close-quote procedure for solids is introduced. Results for several semiconductors are presented. Perturbation theory expansions for the hardness of molecules and the bad gap of solids are given. Density-functional exchange and correlation energies for excited states are defined and a perturbation theory based Kohn-Sham formalism to treat excited states within density-functional theory is introduced

Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

Science.gov (United States)

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.

A multicomponent multiphase lattice Boltzmann model with large liquid–gas density ratios for simulations of wetting phenomena

International Nuclear Information System (INIS)

Zhang Qing-Yu; Zhu Ming-Fang; Sun Dong-Ke

2017-01-01

A multicomponent multiphase (MCMP) pseudopotential lattice Boltzmann (LB) model with large liquid–gas density ratios is proposed for simulating the wetting phenomena. In the proposed model, two layers of neighboring nodes are adopted to calculate the fluid–fluid cohesion force with higher isotropy order. In addition, the different-time-step method is employed to calculate the processes of particle propagation and collision for the two fluid components with a large pseudo-particle mass contrast. It is found that the spurious current is remarkably reduced by employing the higher isotropy order calculation of the fluid–fluid cohesion force. The maximum spurious current appearing at the phase interfaces is evidently influenced by the magnitudes of fluid–fluid and fluid–solid interaction strengths, but weakly affected by the time step ratio. The density ratio analyses show that the liquid–gas density ratio is dependent on both the fluid–fluid interaction strength and the time step ratio. For the liquid–gas flow simulations without solid phase, the maximum liquid–gas density ratio achieved by the present model is higher than 1000:1. However, the obtainable maximum liquid–gas density ratio in the solid–liquid–gas system is lower. Wetting phenomena of droplets contacting smooth/rough solid surfaces and the dynamic process of liquid movement in a capillary tube are simulated to validate the proposed model in different solid–liquid–gas coexisting systems. It is shown that the simulated intrinsic contact angles of droplets on smooth surfaces are in good agreement with those predicted by the constructed LB formula that is related to Young’s equation. The apparent contact angles of droplets on rough surfaces compare reasonably well with the predictions of Cassie’s law. For the simulation of liquid movement in a capillary tube, the linear relation between the liquid–gas interface position and simulation time is observed, which is identical to

Anisotropic dynamic mass density for fluidsolid composites

KAUST Repository

Wu, Ying

2012-10-01

By taking the low frequency limit of multiple-scattering theory, we obtain the dynamic effective mass density of fluidsolid composites with a two-dimensional rectangular lattice structure. The anisotropic mass density can be described by an angle-dependent dipole solution, to the leading-order of solid concentration. The angular dependence vanishes for the square lattice, but at high solid concentrations there is a structure-dependent factor that contributes to the leading-order solution. In all cases, Woods formula is found to be accurately valid for the effective bulk modulus, independent of the structures. Numerical evaluations from the solutions are shown to be in excellent agreement with finite-element simulations. © 2012 Elsevier B.V.

Achievement of transportable polarized D, in solid HD, with a one day passively maintained polarization

International Nuclear Information System (INIS)

Honig, A.; Alexander, N.; Fan, Q.; Wei, X.; Yu, Y.Y.

1993-01-01

At a previous workshop, we discussed evaporating solid HD with spin-polarized deuterons to produce a high density polarized deuteron gaseous internal target. Since then, we have achieved in solid HD 38% polarized D, whose spin-lattice relaxation time at 1.5 K in a field of 0.1 T is of the order of a day. Optimization of the procedure with the present apparatus should result in 60% D polarization, and longer polarization holding times. The polarized sample of approximately 0.2 cm 3 volume used here is extractable from the dilution refrigerator with a cold-transfer apparatus which maintains the sample at or below 5 K, insuring retention of the high polarization. It is subsequently insertable into a variety of systems, and employable as a polarized solid, liquid, or gas. We are exploring the possibility of extending the polarization maintenance time to about a month (with a matched 1 month preparation time), of polarizing metastably H as well as D, and of producing much larger samples, of the order of 100 cm 3

Tomographic reconstruction of the time-averaged density distribution in two-phase flow

International Nuclear Information System (INIS)

Fincke, J.R.

1982-01-01

The technique of reconstructive tomography has been applied to the measurement of time-average density and density distribution in a two-phase flow field. The technique of reconstructive tomography provides a model-independent method of obtaining flow-field density information. A tomographic densitometer system for the measurement of two-phase flow has two unique problems: a limited number of data values and a correspondingly coarse reconstruction grid. These problems were studied both experimentally through the use of prototype hardware on a 3-in. pipe, and analytically through computer generation of simulated data. The prototype data were taken on phantoms constructed of all Plexiglas and Plexiglas laminated with wood and polyurethane foam. Reconstructions obtained from prototype data are compared with reconstructions from the simulated data. Also presented are some representative results in a horizontal air/water flow

Time-dependent broken-symmetry density functional theory simulation of the optical response of entangled paramagnetic defects: Color centers in lithium fluoride

Science.gov (United States)

Janesko, Benjamin G.

2018-02-01

Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.

The Dynamic Density Bottle: A Make-and-Take, Guided Inquiry Activity on Density

Science.gov (United States)

Kuntzleman, Thomas S.

2015-01-01

An activity is described wherein students observe dynamic floating and sinking behavior of plastic pieces in various liquids. The liquids and solids are all contained within a plastic bottle; the entire assembly is called a "density bottle". After completing a series of experiments that guides students to think about the relative…

Many-body perturbation theory using the density-functional concept: beyond the GW approximation.

Science.gov (United States)

Bruneval, Fabien; Sottile, Francesco; Olevano, Valerio; Del Sole, Rodolfo; Reining, Lucia

2005-05-13

We propose an alternative formulation of many-body perturbation theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, which leads to excellent optical absorption and energy-loss spectra. The corresponding three-point vertex function and self-energy are then simply calculated via an integration, for any level of approximation. Moreover, we show the direct impact of this formulation on the time-dependent density-functional theory. Numerical results for the band gap of bulk silicon and solid argon illustrate corrections beyond the GW approximation for the self-energy.

Measurement of x-ray emission and thermal transport in near-solid-density plasmas heated by 130 fs laser pulses

International Nuclear Information System (INIS)

Young, B.K.; Wilson, B.G.; Price, D.F.; Stewart, R.E.

1998-01-01

Near-solid-density plasmas with peak temperatures of 370±50 eV have been generated using a high-contrast (∼10 -7 ), 400 nm, 130 fs laser pulse of intensity 3x10 17 Wcm -2 at the Ultrashort Pulse Laser at Lawrence Livermore National Laboratory. The x-ray-emission spectra from thin tracer layers of germanium, tamped by layers of plastic, were measured as a function of target depth. The results qualitatively agree with calculations based on detailed local thermodynamic equilibrium (LTE) and modified non-LTE spectroscopic opacity models using plasma conditions determined using LASNEX hydrodynamic simulations. No evidence of thermal flux inhibition into the bulk target material was observed. The experiments and detailed simulations are presented. copyright 1998 The American Physical Society

Treatment of Layered Structures Using a Semilocal meta-GGA Density Functional

DEFF Research Database (Denmark)

Madsen, Georg; Ferrighi, Lara; Hammer, Bjørk

2010-01-01

Density functional theory calculations on solids consisting of covalently bonded layers held together by dispersive interactions are presented. Utilizing the kinetic energy density in addition to the density and its gradients gives the meta-generalized gradient approximation (MGGA) M06-L enough...

Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions.

Science.gov (United States)

Olson, Angela C; Keith, Jason M; Batista, Enrique R; Boland, Kevin S; Daly, Scott R; Kozimor, Stosh A; MacInnes, Molly M; Martin, Richard L; Scott, Brian L

2014-12-14

Herein, we have evaluated relative changes in M-S electronic structure and orbital mixing in Group 6 MS4(2-) dianions using solid- and solution-phase S K-edge X-ray absorption spectroscopy (XAS; M = Mo, W), as well as density functional theory (DFT; M = Cr, Mo, W) and time-dependent density functional theory (TDDFT) calculations. To facilitate comparison with solution measurements (conducted in acetonitrile), theoretical models included gas-phase calculations as well as those that incorporated an acetonitrile dielectric, the latter of which provided better agreement with experiment. Two pre-edge features arising from S 1s → e* and t electron excitations were observed in the S K-edge XAS spectra and were reasonably assigned as (1)A1 → (1)T2 transitions. For MoS4(2-), both solution-phase pre-edge peak intensities were consistent with results from the solid-state spectra. For WS4(2-), solution- and solid-state pre-edge peak intensities for transitions involving e* were equivalent, while transitions involving the t orbitals were less intense in solution. Experimental and computational results have been presented in comparison to recent analyses of MO4(2-) dianions, which allowed M-S and M-O orbital mixing to be evaluated as the principle quantum number (n) for the metal valence d orbitals increased (3d, 4d, 5d). Overall, the M-E (E = O, S) analyses revealed distinct trends in orbital mixing. For example, as the Group 6 triad was descended, e* (π*) orbital mixing remained constant in the M-S bonds, but increased appreciably for M-O interactions. For the t orbitals (σ* + π*), mixing decreased slightly for M-S bonding and increased only slightly for the M-O interactions. These results suggested that the metal and ligand valence orbital energies and radial extensions delicately influenced the orbital compositions for isoelectronic ME4(2-) (E = O, S) dianions.

Interdependence of initial cell density, drug concentration and exposure time revealed by real-time impedance spectroscopic cytotoxicity assay

DEFF Research Database (Denmark)

Caviglia, Claudia; Zor, Kinga; Canepa, Silvia

2015-01-01

We investigated the combined effect of the initial cell density (12 500, 35 000, 75 000, and 100 000 cells cm−2) and concentration of the anti-cancer drug doxorubicin on HeLa cells by performing timedependent cytotoxicity assays using real-time electrochemical impedance spectroscopy. A correlation...... between the rate of cell death and the initial cell seeding density was found at 2.5 μM doxorubicin concentration, whereas this was not observed at 5 or 100 μM. By sensing the changes in the cell–substrate interaction using impedance spectroscopy under static conditions, the onset of cytotoxicity...... was observed 5 h earlier than when using a standard colorimetric end-point assay (MTS) which measures changes in the mitochondrial metabolism. Furthermore, with the MTS assay no cytotoxicity was observed after 15 h of incubation with 2.5 μM doxorubicin, whereas the impedance showed at this time point cell...

Density Functional Calculations of Solid State Heats of Formation

National Research Council Canada - National Science Library

Politzer, Peter

1999-01-01

It is now feasible to compute quite accurate gas phase heats of formation for relatively small molecules by means of ab initio or density functional techniques and one of several possible approaches...

Bone Density and Timing of Puberty in a Longitudinal Study of Girls.

Science.gov (United States)

Cattran, Ashley M; Kalkwarf, Heidi J; Pinney, Susan M; Huang, Bin; Biro, Frank M

2015-06-01

Primary: To examine the relationship between relative timing of puberty with bone mineral density (BMD) in a group of adolescent girls; Secondary: To determine if family history of breast cancer was associated with bone mineral density. Longitudinal study of girls recruited between 6 and 7 years of age seen every 6 months for 5 years, and subsequently seen annually. BMD of the lumbar spine was measured by dual-energy X-ray absorptiometry (DXA) at mean age of 12.5 years; age- and race-specific Z-scores (BMDz) were calculated. Age of pubertal onset was determined by the first occurrence of breast stage 2, and participants were categorized into race-specific early, on-time and late puberty onset groups. BMDz by timing of pubertal onset, and by family history of breast cancer. DXA scans were performed on 227 study participants, and a second scan was performed on 114 participants 2 years later. Age of onset of puberty was inversely correlated with BMDz, r = -0.31 (P puberty was associated with higher BMD. The high shared variance of BMD and timing of pubertal onset implies an underlying biologic basis. Copyright © 2015 North American Society for Pediatric and Adolescent Gynecology. Published by Elsevier Inc. All rights reserved.

Morphology and linear-elastic moduli of random network solids.

Science.gov (United States)

Nachtrab, Susan; Kapfer, Sebastian C; Arns, Christoph H; Madadi, Mahyar; Mecke, Klaus; Schröder-Turk, Gerd E

2011-06-17

The effective linear-elastic moduli of disordered network solids are analyzed by voxel-based finite element calculations. We analyze network solids given by Poisson-Voronoi processes and by the structure of collagen fiber networks imaged by confocal microscopy. The solid volume fraction ϕ is varied by adjusting the fiber radius, while keeping the structural mesh or pore size of the underlying network fixed. For intermediate ϕ, the bulk and shear modulus are approximated by empirical power-laws K(phi)proptophin and G(phi)proptophim with n≈1.4 and m≈1.7. The exponents for the collagen and the Poisson-Voronoi network solids are similar, and are close to the values n=1.22 and m=2.11 found in a previous voxel-based finite element study of Poisson-Voronoi systems with different boundary conditions. However, the exponents of these empirical power-laws are at odds with the analytic values of n=1 and m=2, valid for low-density cellular structures in the limit of thin beams. We propose a functional form for K(ϕ) that models the cross-over from a power-law at low densities to a porous solid at high densities; a fit of the data to this functional form yields the asymptotic exponent n≈1.00, as expected. Further, both the intensity of the Poisson-Voronoi process and the collagen concentration in the samples, both of which alter the typical pore or mesh size, affect the effective moduli only by the resulting change of the solid volume fraction. These findings suggest that a network solid with the structure of the collagen networks can be modeled in quantitative agreement by a Poisson-Voronoi process. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Emerging applications of spark plasma sintering in all solid-state lithium-ion batteries and beyond

Science.gov (United States)

Zhu, Hongzheng; Liu, Jian

2018-07-01

Solid-state batteries have received increasing attention due to their high safety aspect and high energy and power densities. However, the development of solid-state batteries is hindered by inferior solid-solid interfaces between the solid-state electrolyte and electrode, which cause high interfacial resistance, reduced Li-ion and electron transfer rate, and limited battery performance. Recently, spark plasma sintering (SPS) is emerging as a promising technique for fabricating solid-state electrolyte and electrode pellets with clean and intimate solid-solid interfaces. During the SPS process, the unique reaction mechanism through the combination of current, pressure and high heating rate allow the formation of desirable solid-solid interfaces between active material particles. Herein, this work focuses on the overview of the application of SPS for fabricating solid-state electrolyte and electrode in all solid-state Li-ion batteries, and beyond, such as solid-state Li-S and Na-ion batteries. The correlations among SPS parameters, interfacial resistance, and electrochemical properties of solid-state electrolytes and electrodes are discussed for different material systems. In the end, we point out future opportunities and challenges associated with SPS application in the hot area of solid-state batteries. It is expected that this timely review will stimulate more fundamental and applied research in the development of solid-state batteries by SPS.

Measuring device for the spatial neutron density distribution within a nuclear reactor

International Nuclear Information System (INIS)

Fracke, A.; Wachtler, H.

1974-01-01

A solid probe in a pneumatic tube is lead from the core to a measuring device outside the pressure vessel and reversely, in order to measure the local neutron density distribution inside a reactor core. The activiable solid probe is in the form of a steel spiral spring with densely open coils and semi-spherical end pieces. A good curve negotiating characteristic of the measuring probe and defined duration times are secured in the reactor core. Furthermore, the interior of the spiral can be filled with a lubricating medium, e.g. molybdenum sulphite, so that a better sliding of the measuring probe into the tubes of the pneumatic tube is ensured. (DG) [de

Sensitivity and uncertainty analysis for functionals of the time-dependent nuclide density field

International Nuclear Information System (INIS)

Williams, M.L.; Weisbin, C.R.

1978-04-01

An approach to extend the present ORNL sensitivity program to include functionals of the time-dependent nuclide density field is developed. An adjoint equation for the nuclide field was derived previously by using generalized perturbation theory; the present derivation makes use of a variational principle and results in the same equation. The physical significance of this equation is discussed and compared to that of the time-dependent neutron adjoint equation. Computational requirements for determining sensitivity profiles and uncertainties for functionals of the time-dependent nuclide density vector are developed within the framework of the existing FORSS system; in this way the current capability is significantly extended. The development, testing, and use of an adjoint version of the ORIGEN isotope generation and depletion code are documented. Finally, a sample calculation is given which estimates the uncertainty in the plutonium inventory at shutdown of a PWR due to assumed uncertainties in uranium and plutonium cross sections. 8 figures, 4 tables

Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times.

Science.gov (United States)

Mansø, Mads; Petersen, Anne Ugleholdt; Wang, Zhihang; Erhart, Paul; Nielsen, Mogens Brøndsted; Moth-Poulsen, Kasper

2018-05-16

Molecular photoswitches can be used for solar thermal energy storage by photoisomerization into high-energy, meta-stable isomers; we present a molecular design strategy leading to photoswitches with high energy densities and long storage times. High measured energy densities of up to 559 kJ kg -1 (155 Wh kg -1 ), long storage lifetimes up to 48.5 days, and high quantum yields of conversion of up to 94% per subunit are demonstrated in norbornadiene/quadricyclane (NBD/QC) photo-/thermoswitch couples incorporated into dimeric and trimeric structures. By changing the linker unit between the NBD units, we can at the same time fine-tune light-harvesting and energy densities of the dimers and trimers so that they exceed those of their monomeric analogs. These new oligomers thereby meet several of the criteria to be met for an optimum molecule to ultimately enter actual devices being able to undergo closed cycles of solar light-harvesting, energy storage, and heat release.

TANK 21 AND TANK 24 BLEND AND FEED STUDY: BLENDING TIMES, SETTLING TIMES, AND TRANSFERS

Energy Technology Data Exchange (ETDEWEB)

Lee, S.; Leishear, R.; Poirier, M.

2012-05-31

The Salt Disposition Integration (SDI) portfolio of projects provides the infrastructure within existing Liquid Waste facilities to support the startup and long term operation of the Salt Waste Processing Facility (SWPF). Within SDI, the Blend and Feed Project will equip existing waste tanks in the Tank Farms to serve as Blend Tanks where salt solutions of up to 1.2 million gallons will be blended in 1.3 million gallon tanks and qualified for use as feedstock for SWPF. In particular, Tanks 21 and 24 are planned to be used for blending and transferring to the SDI feed tank. These tanks were evaluated here to determine blending times, to determine a range of settling times for disturbed sludge, and to determine that the SWPF Waste Acceptance Criteria that less than 1200 mg/liter of solids will be entrained in salt solutions during transfers from the Tank 21 and Tank 24 will be met. Overall conclusions for Tank 21 and Tank 24 operations include: (1) Experimental correction factors were applied to CFD (computational fluid dynamics) models to establish blending times between approximately two and five hours. As shown in Phase 2 research, blending times may be as much as ten times greater, or more, if lighter fluids are added to heavier fluids (i.e., water added to salt solution). As the densities of two salt solutions converge this effect may be minimized, but additional confirmatory research was not performed. (2) At the current sludge levels and the presently planned operating heights of the transfer pumps, solids entrainment will be less than 1200 mg/liter, assuming a conservative, slow settling sludge simulant. (3) Based on theoretical calculations, particles in the density range of 2.5 to 5.0 g/mL must be greater than 2-4 {micro}m in diameter to ensure they settle adequately in 30-60 days to meet the SWPF feed criterion (<1200 mg/l). (4) Experimental tests with sludge batch 6 simulant and field turbidity data from a recent Tank 21 mixing evolution suggest the solid

US Heavy Ion Beam Research for Energy Density Physics Applications and Fusion

International Nuclear Information System (INIS)

Davidson, R.C.; Logan, B.G.; Barnard, J.J.; Bieniosek, F.M.; Briggs, R.J.; Callahan D.A.; Kireeff Covo, M.; Celata, C.M.; Cohen, R.H.; Coleman, J.E.; Debonnel, C.S.; Grote, D.P.; Efthimiom, P.C.; Eylon, S.; Friedman, A.; Gilson, E.P.; Grisham, L.R.; Henestroza, E.; Kaganovich, I.D.; Kwan, J.W.; Lee, E.P.; Lee, W.W.; Leitner, M.; Lund, S.M.; Meier, W.R.; Molvik, A.W.; Olson, C.L.; Penn, G.E.; Qin, H.; Roy, P.K.; Rose, D.V.; Sefkow, A.; Seidl, P.A.; Sharp, W.M.; Startsev, E.A.; Tabak, M.; Thoma, C.; Vay, J-L; Wadron, W.L.; Wurtele, J.S.; Welch, D.R.; Westenskow, G.A.; Yu, S.S.

2005-01-01

Key scientific results from recent experiments, modeling tools, and heavy ion accelerator research are summarized that explore ways to investigate the properties of high energy density matter in heavy-ion-driven targets, in particular, strongly-coupled plasmas at 0.01 to 0.1 times solid density for studies of warm dense matter, which is a frontier area in high energy density physics. Pursuit of these near-term objectives has resulted in many innovations that will ultimately benefit heavy ion inertial fusion energy. These include: neutralized ion beam compression and focusing, which hold the promise of greatly improving the stage between the accelerator and the target chamber in a fusion power plant; and the Pulse Line Ion Accelerator (PLIA), which may lead to compact, low-cost modular linac drivers

Solid - solid and solid - liquid phase transitions of iron and iron alloys under laser shock compression

Science.gov (United States)

Harmand, M.; Krygier, A.; Appel, K.; Galtier, E.; Hartley, N.; Konopkova, Z.; Lee, H. J.; McBride, E. E.; Miyanishi, K.; Nagler, B.; Nemausat, R.; Vinci, T.; Zhu, D.; Ozaki, N.; Fiquet, G.

2017-12-01

An accurate knowledge of the properties of iron and iron alloys at high pressures and temperatures is crucial for understanding and modelling planetary interiors. While Earth-size and Super-Earth Exoplanets are being discovered in increasingly large numbers, access to detailed information on liquid properties, melting curves and even solid phases of iron and iron at the pressures and temperatures of their interiors is still strongly limited. In this context, XFEL sources coupled with high-energy lasers afford unique opportunities to measure microscopic structural properties at far extreme conditions. Also the achievable time resolution allows the shock history and phase transition mechanisms to be followed during laser compression, improving our understanding of the high pressure and high strain experiments. Here we present recent studies devoted to investigate the solid-solid and solid-liquid transition in laser-shocked iron and iron alloys (Fe-Si, Fe-C and Fe-O alloys) using X-ray diffraction and X-ray diffuse scattering. Experiment were performed at the MEC end-station of the LCLS facility at SLAC (USA). Detection of the diffuse scattering allowed the identification of the first liquid peak position along the Hugoniot, up to 4 Mbar. The time resolution shows ultrafast (between several tens and several hundreds of picoseconds) solid-solid and solid-liquid phase transitions. Future developments at XFEL facilities will enable detailed studies of the solid and liquid structures of iron and iron alloys as well as out-of-Hugoniot studies.

An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

Energy Technology Data Exchange (ETDEWEB)

Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States)

2016-06-21

One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.

Non-linear behaviour of power density and exposure time of argon laser on ocular tissues

Energy Technology Data Exchange (ETDEWEB)

El-Sayed, E M; Talaat, M S; Salem, E F [Physics Department, Faculty of Science, Ain Shams University, Cairo (Egypt)

1997-12-31

In ophthalmology, the thermal effect of argon laser is the most widely used category of laser- tissue interaction. The rise in tissue temperature has to exceed a threshold value for photo coagulation of retinal blood vessels. This value mainly depends on the laser. The most suitable argon laser power P and exposure time (t) which would be more effective for thermal and electrical behaviour of chicken eye was studied. This was achieved by measuring the variations in ocular temperature in electroretinogram (ERG) records under the effect of argon experiment, while power density (P) and exposure time (t) were varied in four different ways for each dose (pt). Results indicated that for the same laser dose, the temperature distribution of the eye, using low power density and high exposure time was higher than that high power density and low exposure time, indicating non-linearity of the laser dose. This finding was confirmed by ERG records which showed similar variations in b-wave latency, amplitude and duration, for the laser exposure conditions. This indicates variations in retinal function due to laser-dependent temperature variations. 5 figs., 3 tabs.

Time resolved resonant inelastic X-ray scattering: A supreme tool to understand dynamics in solids and molecules

International Nuclear Information System (INIS)

Beye, M.; Wernet, Ph.; Schüßler-Langeheine, C.; Föhlisch, A.

2013-01-01

Highlights: •The high specificity of RIXS ideally suits time-resolved measurements. •Methods relating to the core hole lifetime cover the low femtosecond regime. •Pump-probe methods are used starting at sub-ps time scales. •FELs and synchrotrons are useful for pump-probe studies. •Examples from solid state dynamics and molecules are discussed. -- Abstract: Dynamics in materials typically involve different degrees of freedom, like charge, lattice, orbital and spin in a complex interplay. Time-resolved resonant inelastic X-ray scattering (RIXS) as a highly selective tool can provide unique insight and follow the details of dynamical processes while resolving symmetries, chemical and charge states, momenta, spin configurations, etc. In this paper, we review examples where the intrinsic scattering duration time is used to study femtosecond phenomena. Free-electron lasers access timescales starting in the sub-ps range through pump-probe methods and synchrotrons study the time scales longer than tens of ps. In these examples, time-resolved resonant inelastic X-ray scattering is applied to solids as well as molecular systems

Density of biogas digestate depending on temperature and composition.

Science.gov (United States)

Gerber, Mandy; Schneider, Nico

2015-09-01

Density is one of the most important physical properties of biogas digestate to ensure an optimal dimensioning and a precise design of biogas plant components like stirring devices, pumps and heat exchangers. In this study the density of biogas digestates with different compositions was measured using pycnometers at ambient pressure in a temperature range from 293.15 to 313.15K. The biogas digestates were taken from semi-continuous experiments, in which the marine microalga Nannochloropsis salina, corn silage and a mixture of both were used as feedstocks. The results show an increase of density with increasing total solid content and a decrease with increasing temperature. Three equations to calculate the density of biogas digestate were set up depending on temperature as well as on the total solid content, organic composition and elemental composition, respectively. All correlations show a relative deviation below 1% compared to experimental data. Copyright © 2015. Published by Elsevier Ltd.

Natural excitation orbitals from linear response theories : Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

NARCIS (Netherlands)

Van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

2017-01-01

Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In

Flash Kα radiography of laser-driven solid sphere compression for fast ignition

International Nuclear Information System (INIS)

Sawada, H.; Lee, S.; Nagatomo, H.; Arikawa, Y.; Nishimura, H.; Ueda, T.; Shigemori, K.; Fujioka, S.; Shiroto, T.; Ohnishi, N.; Sunahara, A.; Beg, F. N.; Theobald, W.; Pérez, F.; Patel, P. K.

2016-01-01

Time-resolved compression of a laser-driven solid deuterated plastic sphere with a cone was measured with flash Kα x-ray radiography. A spherically converging shockwave launched by nanosecond GEKKO XII beams was used for compression while a flash of 4.51 keV Ti Kα x-ray backlighter was produced by a high-intensity, picosecond laser LFEX (Laser for Fast ignition EXperiment) near peak compression for radiography. Areal densities of the compressed core were inferred from two-dimensional backlit x-ray images recorded with a narrow-band spherical crystal imager. The maximum areal density in the experiment was estimated to be 87 ± 26 mg/cm"2. The temporal evolution of the experimental and simulated areal densities with a 2-D radiation-hydrodynamics code is in good agreement.

Flash Kα radiography of laser-driven solid sphere compression for fast ignition

Energy Technology Data Exchange (ETDEWEB)

Sawada, H. [Department of Physics, University of Nevada Reno, Reno, Nevada 89557 (United States); Lee, S.; Nagatomo, H.; Arikawa, Y.; Nishimura, H.; Ueda, T.; Shigemori, K.; Fujioka, S. [Institute of Laser Engineering, Osaka University, Suita, Osaka (Japan); Shiroto, T.; Ohnishi, N. [Department of Aerospace Engineering, Tohoku University, Sendai, Miyagi (Japan); Sunahara, A. [Institute of Laser Technology, Nishi-ku, Osaka (Japan); Beg, F. N. [University of California San Diego, La Jolla, California 92093 (United States); Theobald, W. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States); Pérez, F. [LULI, Ecole Polytechnique, Palaiseau, Cedex (France); Patel, P. K. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

2016-06-20

Time-resolved compression of a laser-driven solid deuterated plastic sphere with a cone was measured with flash Kα x-ray radiography. A spherically converging shockwave launched by nanosecond GEKKO XII beams was used for compression while a flash of 4.51 keV Ti Kα x-ray backlighter was produced by a high-intensity, picosecond laser LFEX (Laser for Fast ignition EXperiment) near peak compression for radiography. Areal densities of the compressed core were inferred from two-dimensional backlit x-ray images recorded with a narrow-band spherical crystal imager. The maximum areal density in the experiment was estimated to be 87 ± 26 mg/cm{sup 2}. The temporal evolution of the experimental and simulated areal densities with a 2-D radiation-hydrodynamics code is in good agreement.

Time-of-flight measurements of the plasma density in the T-11M tokamak

International Nuclear Information System (INIS)

Petrov, V. G.; Petrov, A. A.; Malyshev, A. Yu.; Markov, V. K.; Babarykin, A. V.

2006-01-01

The average plasma density in the T-11M tokamak is determined by means of an O-mode time-of-flight refractometer measuring the propagation time τ of microwave pulses through the plasma. Since the front duration τ fr of these pulses is shorter than 2 ns, filtering the measured signal cannot reduce the signal-to-noise ratio below a certain level. This circumstance impedes the use of this diagnostics in larger devices, where the signals may be substantially attenuated because of the larger chamber size and larger waveguide losses. There are several ways to overcome these difficulties: to raise the microwave power, to increase the sensitivity of the receivers, etc. In this paper, a technique is described that is based on the differential method for determining the propagation time of a microwave signal through the plasma. In this method, the plasma is probed by two continuous microwaves with close frequencies and the phase difference between them Δφ 12 is measured. As long as the condition Δφ 12 < 2π is satisfied, the measurements are unambiguous, because there are no phase jumps by a value multiple of 2π, as is usually the case in conventional interferometers at an increased level of MHD activity, in regimes with a rapid density growth, etc. This method allows the signal to be filtered, thereby ensuring an appreciable improvement in the signal-to-noise ratio in comparison with the pulsed methods. The first measurements of the average density along the +3-cm chord were performed with the help of this new differential time-of-flight refractometer in the T-11M tokamak. The refractometry data agree well with the interferometric data and are used to recover the plasma-density profile

Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals.

Science.gov (United States)

King, Matthew D; Buchanan, William D; Korter, Timothy M

2011-03-14

The effects of applying an empirical dispersion correction to solid-state density functional theory methods were evaluated in the simulation of the crystal structure and low-frequency (10 to 90 cm(-1)) terahertz spectrum of the non-steroidal anti-inflammatory drug, naproxen. The naproxen molecular crystal is bound largely by weak London force interactions, as well as by more prominent interactions such as hydrogen bonding, and thus serves as a good model for the assessment of the pair-wise dispersion correction term in systems influenced by intermolecular interactions of various strengths. Modifications to the dispersion parameters were tested in both fully optimized unit cell dimensions and those determined by X-ray crystallography, with subsequent simulations of the THz spectrum being performed. Use of the unmodified PBE density functional leads to an unrealistic expansion of the unit cell volume and the poor representation of the THz spectrum. Inclusion of a modified dispersion correction enabled a high-quality simulation of the THz spectrum and crystal structure of naproxen to be achieved without the need for artificially constraining the unit cell dimensions.

Optical properties of Al nanostructures from time dependent density functional theory

KAUST Repository

Mokkath, Junais Habeeb

2016-04-05

The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting for increasing length and aspect ratio. For the chains the absorption is dominated by HOMO → LUMO transitions, whereas ladders and stripes reveal more complex spectra of plasmonic nature above a specific aspect ratio.

ANTHEM simulation of the early time magnetic field penetration of the plasma surrounding a high density Z-pinch

International Nuclear Information System (INIS)

Mason, R.J.

1989-01-01

The early time penetration of magnetic field into the low density coronal plasma of a Z-pinch fiber is studied with the implicit plasma simulation code ANTHEM. Calculations show the emission of electrons from the cathode, pinching of the electron flow, magnetic insulation of the electrons near the anode, and low density ion blow off. PIC-particle ion calculations show a late time clumping of the ion density not seen with a fluid ion treatment. 4 refs., 4 figs

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

Energy Technology Data Exchange (ETDEWEB)

Sissay, Adonay [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J. [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Lopata, Kenneth, E-mail: klopata@lsu.edu [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)

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

International Nuclear Information System (INIS)

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

2016-01-01

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.

Long-time evolution of a low-density ion beam

International Nuclear Information System (INIS)

Zachary, A.L.; Cohen, B.I.; Max, C.E.; Arons, J.

1989-01-01

With a new, orbit-averaged hybrid computer simulation code, we study a cold, fast low-density ion beam which propagates along the ambient magnetic field as it interacts with a much denser fluid background. We examine the character of the interactions as we vary the ion beam density relative to the background density over the range 1 x 10/sup -5/ to 3 x 10/sup -3/. The low beam density simulations may not be directly observable upstream of the Earth's bow shock, but they are included to help develop an understanding of the results seen in the simulations with high-beam density. However, our highest density simulation falls within the range of solar wind data. All the simulations, regardless of the relative beam density, show three distinct phases: (1) an early or ''linear'' phase; (2) an intermediate or ''trapping'' phase; and (3) a late or ''decorrelation'' phase. In the early phase, the beam excites a nearly monochromatic Alfven wave whose amplitude grows exponentially at a rate given by linear perturbation theory. The wave amplitude saturates when the linear growth rate is of the order of the trapping frequency

Recurrence Density Enhanced Complex Networks for Nonlinear Time Series Analysis

Science.gov (United States)

Costa, Diego G. De B.; Reis, Barbara M. Da F.; Zou, Yong; Quiles, Marcos G.; Macau, Elbert E. N.

We introduce a new method, which is entitled Recurrence Density Enhanced Complex Network (RDE-CN), to properly analyze nonlinear time series. Our method first transforms a recurrence plot into a figure of a reduced number of points yet preserving the main and fundamental recurrence properties of the original plot. This resulting figure is then reinterpreted as a complex network, which is further characterized by network statistical measures. We illustrate the computational power of RDE-CN approach by time series by both the logistic map and experimental fluid flows, which show that our method distinguishes different dynamics sufficiently well as the traditional recurrence analysis. Therefore, the proposed methodology characterizes the recurrence matrix adequately, while using a reduced set of points from the original recurrence plots.

Solid-state, triboelectrostatic and dissolution characteristics of spray-dried piroxicam-glucosamine solid dispersions.

Science.gov (United States)

Adebisi, Adeola O; Kaialy, Waseem; Hussain, Tariq; Al-Hamidi, Hiba; Nokhodchi, Ali; Conway, Barbara R; Asare-Addo, Kofi

2016-10-01

This work explores the use of both spray drying and d-glucosamine HCl (GLU) as a hydrophilic carrier to improve the dissolution rate of piroxicam (PXM) whilst investigating the electrostatic charges associated with the spray drying process. Spray dried PXM:GLU solid dispersions were prepared and characterised (XRPD, DSC, SEM). Dissolution and triboelectric charging were also conducted. The results showed that the spray dried PXM alone, without GLU produced some PXM form II (DSC results) with no enhancement in solubility relative to that of the parent PXM. XRPD results also showed the spray drying process to decrease the crystallinity of GLU and solid dispersions produced. The presence of GLU improved the dissolution rate of PXM. Spray dried PXM: GLU at a ratio of 2:1 had the most improved dissolution. The spray drying process generally yielded PXM-GLU spherical particles of around 2.5μm which may have contributed to the improved dissolution. PXM showed a higher tendency for charging in comparison to the carrier GLU (-3.8 versus 0.5nC/g for untreated material and -7.5 versus 3.1nC/g for spray dried materials). Spray dried PXM and spray dried GLU demonstrated higher charge densities than untreated PXM and untreated GLU, respectively. Regardless of PXM:GLU ratio, all spray dried PXM:GLU solid dispersions showed a negligible charge density (net-CMR: 0.1-0.3nC/g). Spray drying of PXM:GLU solid dispersions can be used to produce formulation powders with practically no charge and thereby improving handling as well as dissolution behaviour of PXM. Copyright © 2016 Elsevier B.V. All rights reserved.

Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory

Science.gov (United States)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-03-01

We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level quantum dot with on-site Coulomb interaction and tunnel coupling to a nearby reservoir. The noise spectra are derived from linear-response conductances via the fluctuation-dissipation theorem. Thereby, we analyze the performance of a recently derived exchange-correlation potential with time-nonlocal density dependence in the finite-frequency linear-response regime. We compare our TDDFT noise spectra with real-time perturbation theory and find excellent agreement for noise frequencies below the reservoir temperature.

Time-dependent reduced density matrix functional theory applied to laser-driven, correlated two-electron dynamics

Energy Technology Data Exchange (ETDEWEB)

Brics, Martins; Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

2013-07-01

Time-dependent density functional theory (TDDFT) with known and practicable exchange-correlation potentials does not capture highly correlated electron dynamics such as single-photon double ionization, autoionization, or nonsequential ionization. Time-dependent reduced density matrix functional theory (TDRDMFT) may remedy these problems. The key ingredients in TDRDMFT are the natural orbitals (NOs), i.e., the eigenfunctions of the one-body reduced density matrix (1-RDM), and the occupation numbers (OCs), i.e., the respective eigenvalues. The two-body reduced density matrix (2-RDM) is then expanded in NOs, and equations of motion for the NOs can be derived. If the expansion coefficients of the 2-RDM were known exactly, the problem at hand would be solved. In practice, approximations have to be made. We study the prospects of TDRDMFT following a top-down approach. We solve the exact two-electron time-dependent Schroedinger equation for a model Helium atom in intense laser fields in order to study highly correlated phenomena such as the population of autoionizing states or single-photon double ionization. From the exact wave function we calculate the exact NOs, OCs, the exact expansion coefficients of the 2-RDM, and the exact potentials in the equations of motion. In that way we can identify how many NOs and which level of approximations are necessary to capture such phenomena.

CFD simulation of a dry scroll vacuum pump with clearances, solid heating and thermal deformation

Science.gov (United States)

Spille-Kohoff, A.; Hesse, J.; Andres, R.; Hetze, F.

2017-08-01

Although dry scroll vacuum pumps (DSPV) are essential devices in many different industrial processes, the CFD simulation of such pumps is not widely used and often restricted to simplified cases due to its complexity: The working principle with a fixed and an orbiting scroll leads to working chambers that are changing in time and are connected through moving small radial and axial clearances in the range of 10 to 100 μm. Due to the low densities and low mass flow rates in vacuum pumps, it is important to include heat transfer towards and inside the solid components. Solid heating is very slow compared to the scroll revolution speed and the gas behaviour, thus a special workflow is necessary to reach the working conditions in reasonable simulation times. The resulting solid temperature is then used to compute the thermal deformation, which usually results in gap size changes that influence leakage flows. In this paper, setup steps and results for the simulation of a DSVP are shown and compared to theoretical and experimental results. The time-varying working chambers are meshed with TwinMesh, a hexahedral meshing programme for positive displacement machines. The CFD simulation with ANSYS CFX accounts for gas flow with compressibility and turbulence effects, conjugate heat transfer between gas and solids, and leakage flows through the clearances. Time-resolved results for torques, chamber pressure, mass flow, and heat flow between gas and solids are shown, as well as time- and space-resolved results for pressure, velocity, and temperature for different operating conditions of the DSVP.

Relationships of storm-time changes in thermospheric mass density with solar wind/IMF parameters and ring current index of Sym-H

Science.gov (United States)

Zhou, Yunliang; Ma, S. Y.; Xiong, Chao; Luehr, Hermann

The total air mass densities at about 500 km altitude are derived using super-STAR accelerom-eter measurements onboard GRACE satellites for 25 great magnetic storms with minimum Dst less than 100 nT during 2002 to 2006 years. Taking NRLMSISE-00 model-predicted densities without active ap index input as a reference baseline of quiet-time mass density, the storm-time changes in upper thermospheric mass densities are obtained by subtraction for all the storm events and sorted into different grids of latitude by local time sector. The relationships of the storm-time density changes with various interplanetary parameters and magnetospheric ring current index of Sym-H are statistically investigated. The parameters include Akasofu energy coupling function, the merging electric field Em, the magnitude of IMF component in the GSM y-z plane etc. as calculated from OMNI data at 1 AU. It is found that the storm-time changes in the upper thermospheric mass density have the best linear correlation with the Sym-H index in general, showing nearly zero time delay at low-latitudes and a little time ahead at high-latitudes for most cases. Unexpectedly, the magnitude of IMF component in the y-z plane, Byz, shows correlation with storm-time mass density changes better and closer than Akasofu function and even Em. And, the mass density changes lag behind Byz about 1-4 hours for most cases at low-latitudes. The correlations considered above are local time dependent, showing the lowest at dusk sectors. For the largest superstorm of November 2003, the changes in mass density are correlated very closely with Byz, Em, and Sym-H index, showing correlation coefficients averaged over all latitudes in noon sector as high as 0.93, 0.91 and 0.90 separately. The physical factors controlling the lag times between the mass density changes at mid-low-latitudes and the interplanetary parameter variations are also analyzed. The results in this study may pro-vide useful suggestions for establishing

Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum

International Nuclear Information System (INIS)

Martin, Richard L.; Kress, Joel D.; Campbell, I. H.; Smith, D. L.

2000-01-01

We use a hybrid density-functional-theory approach to calculate ground-state electronic properties and a time-dependent density-functional-theory approach to investigate the excited state electronic properties of molecular tris-(8-hydroxyquinolate)-aluminum, Alq. The calculated molecular results are compared with measurements on dense solid-state films of Alq. We specifically consider: the optical absorption spectrum near the fundamental absorption threshold, the ionization potential, the single-particle energy gap, the static dielectric constant, and the electric-field dependence of the electron mobility. We find that the molecular calculations can describe the optical absorption spectrum near the fundamental absorption threshold without significant corrections for solid-state effects. The energies of the triplet excited states are computed and the lowest triplet is found to lie 0.64 eV below the lowest excited singlet state. In contrast, large dielectric corrections must be included for the molecular calculations to describe the ionization potential and single-particle energy gap. When these dielectric corrections are made, using the calculated molecular polarizability, which accurately gives the measured static dielectric constant, both the ionization potential and single-particle energy gap are well described. The calculated molecular dipole moment can be used to interpret the electric-field dependence of the electron mobility. The solid-state properties, determined from the molecular calculations, are then used in a device model to describe the measured current-voltage characteristics in Alq diodes. (c) 2000 The American Physical Society

Compaction shock dissipation in low density granular explosive

Energy Technology Data Exchange (ETDEWEB)

Rao, Pratap T.; Gonthier, Keith A., E-mail: gonthier@me.lsu.edu; Chakravarthy, Sunada [Mechanical and Industrial Engineering Department, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)

2016-06-14

The microstructure of granular explosives can affect dissipative heating within compaction shocks that can trigger combustion and initiate detonation. Because initiation occurs over distances that are much larger than the mean particle size, homogenized (macroscale) theories are often used to describe local thermodynamic states within and behind shocks that are regarded as the average manifestation of thermodynamic fields at the particle scale. In this paper, mesoscale modeling and simulation are used to examine how the initial packing density of granular HMX (C{sub 4}H{sub 8}N{sub 8}O{sub 8}) C{sub 4}H{sub 8}N{sub 8}O{sub 8} having a narrow particle size distribution influences dissipation within resolved, planar compaction shocks. The model tracks the evolution of thermomechanical fields within large ensembles of particles due to pore collapse. Effective shock profiles, obtained by averaging mesoscale fields over space and time, are compared with those given by an independent macroscale compaction theory that predicts the variation in effective thermomechanical fields within shocks due to an imbalance between the solid pressure and a configurational stress. Reducing packing density is shown to reduce the dissipation rate within shocks but increase the integrated dissipated work over shock rise times, which is indicative of enhanced sensitivity. In all cases, dissipated work is related to shock pressure by a density-dependent power law, and shock rise time is related to pressure by a power law having an exponent of negative one.

Effect of mixture ratio, solids concentration and hydraulic retention time on the anaerobic digestion of the organic fraction of municipal solid waste.

Science.gov (United States)

Fongsatitkul, Prayoon; Elefsiniotis, Panagiotis; Wareham, David G

2010-09-01

This paper describes how the degradation of the organic fraction of municipal solid waste (OFMSW) is affected through codigestion with varying amounts of return activated sludge (RAS). Solid waste that had its inorganic fraction selectively removed was mixed with RAS in ratios of 100% OFMSW, 50% OFMSW/50% RAS, and 25% OFMSW/75% RAS. The total solids (TS) concentration was held at 8% and three anaerobic digester systems treating the mixtures were held (for the first run) at a total hydraulic retention time (HRT) of 28 days. Increasing amounts of RAS did not however improve the mixture's digestability, as indicated by little change and/or a drop in the main performance indices [including percentage volatile solids (VS) removal and specific gas production]. The optimum ratio in this research therefore appeared to be 100% OFMSW with an associated 85.1 ± 0.6% VS removal and 0.72 ± 0.01 L total gas g(- 1) VS. In the second run, the effect of increasing percentage of TS (8, 12% and 15%) at a system HRT of 28 days was observed to yield no improvement in the main performance indices (i.e. percentage VS removal and specific gas production). Finally, during the third run, variations in the total system HRT were investigated at an 8% TS, again using 100% OFMSW. Of the HRTs explored (23, 28 and 33 days), the longest HRT yielded the best performance overall, particularly in terms of specific gas production (0.77 ± 0.01 L total gas g(-1) VS).

Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory

Science.gov (United States)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-04-01

We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

Time series analysis of pressure fluctuation in gas-solid fluidized beds

Directory of Open Access Journals (Sweden)

C. Alberto S. Felipe

2004-09-01

Full Text Available The purpose of the present work was to study the differentiation of states of typical fluidization (single bubble, multiple bubble and slugging in a gas-solid fluidized bed, using spectral analysis of pressure fluctuation time series. The effects of the method of measuring (differential and absolute pressure fluctuations and the axial position of the probes in the fluidization column on the identification of each of the regimes studied were evaluated. Fast Fourier Transform (FFT was the mathematic tool used to analysing the data of pressure fluctuations, which expresses the behavior of a time series in the frequency domain. Results indicated that the plenum chamber was a place for reliable measurement and that care should be taken in measurement in the dense phase. The method allowed fluid dynamic regimes to be differentiated by their dominant frequency characteristics.

Plasma density control in real-time on the COMPASS tokamak

Czech Academy of Sciences Publication Activity Database

Janky, Filip; Hron, Martin; Havlíček, Josef; Varavin, Mykyta; Žáček, František; Seidl, Jakub; Pánek, Radomír

96-97, October (2015), s. 637-640 ISSN 0920-3796. [Symposium on Fusion Technology 2014(SOFT-28)/28./. San Sebastián, 29.09.2014-03.10.2014] R&D Projects: GA MŠk(CZ) LM2011021 EU Projects: European Commission(XE) 633053 Institutional support: RVO:61389021 Keywords : COMPASS tokamak * Real-time control * Density control * MARTe * Interferometer * Stickiness of the valve Subject RIV: JF - Nuclear Energetics OBOR OECD: Nuclear related engineering Impact factor: 1.301, year: 2015 http://www.sciencedirect.com/science/article/pii/S092037961500294X

Prediction of changes in important physical parameters during composting of separated animal slurry solid fractions.

Science.gov (United States)

Chowdhury, Md Albarune; de Neergaard, Andreas; Jensen, Lars Stoumann

2014-01-01

Solid-liquid separation of animal slurry, with solid fractions used for composting, has gained interest recently. However, efficient composting of separated animal slurry solid fractions (SSFs) requires a better understanding of the process dynamics in terms of important physical parameters and their interacting physical relationships in the composting matrix. Here we monitored moisture content, bulk density, particle density and air-filled porosity (AFP) during composting of SSF collected from four commercially available solid-liquid separators. Composting was performed in laboratory-scale reactors for 30 days (d) under forced aeration and measurements were conducted on the solid samples at the beginning of composting and at 10-d intervals during composting. The results suggest that differences in initial physical properties of SSF influence the development of compost maximum temperatures (40-70 degreeC). Depending on SSF, total wet mass and volume losses (expressed as % of initial value) were up to 37% and 34%, respectively. After 30 d of composting, relative losses of total solids varied from 17.9% to 21.7% and of volatile solids (VS) from 21.3% to 27.5%, depending on SSF. VS losses in all composts showed different dynamics as described by the first-order kinetic equation. The estimated component particle density of 1441 kg m-3 for VS and 2625 kg m-3 for fixed solids can be used to improve estimates of AFP for SSF within the range tested. The linear relationship between wet bulk density and AFP reported by previous researchers held true for SSF.

In depth fusion flame spreading with a deuterium—tritium plane fuel density profile for plasma block ignition

International Nuclear Information System (INIS)

Malekynia, B.; Razavipour, S. S.

2012-01-01

Solid-state fuel ignition was given by Chu and Bobin according to the hydrodynamic theory at x = 0 qualitatively. A high threshold energy flux density, i.e., E* = 4.3 × 10 12 J/m 2 , has been reached. Recently, fast ignition by employing clean petawatt—picosecond laser pulses was performed. The anomalous phenomena were observed to be based on suppression of prepulses. The accelerated plasma block was used to ignite deuterium—tritium fuel at solid-state density. The detailed analysis of the thermonuclear wave propagation was investigated. Also the fusion conditions at x ≠ 0 layers were clarified by exactly solving hydrodynamic equations for plasma block ignition. In this paper, the applied physical mechanisms are determined for nonlinear force laser driven plasma blocks, thermonuclear reaction, heat transfer, electron—ion equilibration, stopping power of alpha particles, bremsstrahlung, expansion, density dependence, and fluid dynamics. New ignition conditions may be obtained by using temperature equations, including the density profile that is obtained by the continuity equation and expansion velocity. The density is only a function of x and independent of time. The ignition energy flux density, E* t , for the x ≠ 0 layers is 1.95 × 10 12 J/m 2 . Thus threshold ignition energy in comparison with that at x = 0 layers would be reduced to less than 50 percent. (physics of gases, plasmas, and electric discharges)

High Energy Density Physics and Exotic Acceleration Schemes

International Nuclear Information System (INIS)

Cowan, T.; Colby, E.

2005-01-01

The High Energy Density and Exotic Acceleration working group took as our goal to reach beyond the community of plasma accelerator research with its applications to high energy physics, to promote exchange with other disciplines which are challenged by related and demanding beam physics issues. The scope of the group was to cover particle acceleration and beam transport that, unlike other groups at AAC, are not mediated by plasmas or by electromagnetic structures. At this Workshop, we saw an impressive advancement from years past in the area of Vacuum Acceleration, for example with the LEAP experiment at Stanford. And we saw an influx of exciting new beam physics topics involving particle propagation inside of solid-density plasmas or at extremely high charge density, particularly in the areas of laser acceleration of ions, and extreme beams for fusion energy research, including Heavy-ion Inertial Fusion beam physics. One example of the importance and extreme nature of beam physics in HED research is the requirement in the Fast Ignitor scheme of inertial fusion to heat a compressed DT fusion pellet to keV temperatures by injection of laser-driven electron or ion beams of giga-Amp current. Even in modest experiments presently being performed on the laser-acceleration of ions from solids, mega-amp currents of MeV electrons must be transported through solid foils, requiring almost complete return current neutralization, and giving rise to a wide variety of beam-plasma instabilities. As keynote talks our group promoted Ion Acceleration (plenary talk by A. MacKinnon), which historically has grown out of inertial fusion research, and HIF Accelerator Research (invited talk by A. Friedman), which will require impressive advancements in space-charge-limited ion beam physics and in understanding the generation and transport of neutralized ion beams. A unifying aspect of High Energy Density applications was the physics of particle beams inside of solids, which is proving to

Generation of Stationary Non-Gaussian Time Histories with a Specified Cross-spectral Density

Directory of Open Access Journals (Sweden)

David O. Smallwood

1997-01-01

Full Text Available The paper reviews several methods for the generation of stationary realizations of sampled time histories with non-Gaussian distributions and introduces a new method which can be used to control the cross-spectral density matrix and the probability density functions (pdfs of the multiple input problem. Discussed first are two methods for the specialized case of matching the auto (power spectrum, the skewness, and kurtosis using generalized shot noise and using polynomial functions. It is then shown that the skewness and kurtosis can also be controlled by the phase of a complex frequency domain description of the random process. The general case of matching a target probability density function using a zero memory nonlinear (ZMNL function is then covered. Next methods for generating vectors of random variables with a specified covariance matrix for a class of spherically invariant random vectors (SIRV are discussed. Finally the general case of matching the cross-spectral density matrix of a vector of inputs with non-Gaussian marginal distributions is presented.

Transport properties of the continuous-time random walk with a long-tailed waiting-time density

International Nuclear Information System (INIS)

Weissman, H.; Havlin, S.; Weiss, G.H.

1989-01-01

The authors derive asymptotic properties of the propagator p(r, t) of a continuous-time random walk (CTRW) in which the waiting time density has the asymptotic form ψ(t) ∼ T α /t α+1 when t >> T and 0 = ∫ 0 ∞ τψ(τ)dτ is finite. One is that the asymptotic behavior of p(0, t) is demonstrated by the waiting time at the origin rather than by the dimension. The second difference is that in the presence of a field p(r, t) no longer remains symmetric around a moving peak. Rather, it is shown that the peak of this probability always occurs at r = 0, and the effect of the field is to break the symmetry that occurs when < ∞. Finally, they calculate similar properties, although in not such great detail, for the case in which the single-step jump probabilities themselves have an infinite mean

High-Density Near-Field Optical Disc Recording

Science.gov (United States)

Shinoda, Masataka; Saito, Kimihiro; Ishimoto, Tsutomu; Kondo, Takao; Nakaoki, Ariyoshi; Ide, Naoki; Furuki, Motohiro; Takeda, Minoru; Akiyama, Yuji; Shimouma, Takashi; Yamamoto, Masanobu

2005-05-01

We developed a high-density near-field optical recording disc system using a solid immersion lens. The near-field optical pick-up consists of a solid immersion lens with a numerical aperture of 1.84. The laser wavelength for recording is 405 nm. In order to realize the near-field optical recording disc, we used a phase-change recording media and a molded polycarbonate substrate. A clear eye pattern of 112 GB capacity with 160 nm track pitch and 50 nm bit length was observed. The equivalent areal density is 80.6 Gbit/in2. The bottom bit error rate of 3 tracks-write was 4.5× 10-5. The readout power margin and the recording power margin were ± 30.4% and ± 11.2%, respectively.

Local density approximations for relativistic exchange energies

International Nuclear Information System (INIS)

MacDonald, A.H.

1986-01-01

The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

Solid-solution-like ZnO/C composites as excellent anode materials for lithium ion batteries

International Nuclear Information System (INIS)

Zhang, Guanhua; Zhang, Hang; Zhang, Xiang; Zeng, Wei; Su, Qingmei; Du, Gaohui; Duan, Huigao

2015-01-01

Exploring advanced anode materials to maximize the capacity of lithium ion batteries has been an active research area for decades. Constructing composites materials has been proved to be one of the most effective methods to achieve higher capacity due to the synergistic effect. In this work, we proposed and demonstrated a concept of solid-solution-like ZnO/C composites to approach the largest possible synergistic effect by introducing the most interfaces and minimizing the pulverization. The solid-solution-like ZnO/C electrode could achieve a high reversible capacity of 813.3 mAh g −1 at a current density of 100 mA g −1 after 100 cycles with a decrease rate of only 0.4% per cycle. Moreover, the discharge capacity still maintained 53.5% of the original value even when the current density increased to 40 times as much as the original, showing a distinguished rate performance. In addition, such solid-solution-like nanofibers can be easily prepared because of their compatibility with the existing industrial PAN-based spinning process. This may pave the way to mass produce lithium ion batteries with significantly enhanced performance using existing low-cost commercial facilities and recipes.

Air-stable n-type colloidal quantum dot solids

KAUST Repository

Ning, Zhijun; Voznyy, Oleksandr; Pan, Jun; Hoogland, Sjoerd H.; Adinolfi, Valerio; Xu, Jixian; Li, Min; Kirmani, Ahmad R.; Sun, Jonpaul; Minor, James C.; Kemp, Kyle W.; Dong, Haopeng; Rollny, Lisa R.; Labelle, André J.; Carey, Graham H.; Sutherland, Brandon R.; Hill, Ian G.; Amassian, Aram; Liu, Huan; Tang, Jiang; Bakr, Osman; Sargent, E. H.

2014-01-01

Colloidal quantum dots (CQDs) offer promise in flexible electronics, light sensing and energy conversion. These applications rely on rectifying junctions that require the creation of high-quality CQD solids that are controllably n-type (electron-rich) or p-type (hole-rich). Unfortunately, n-type semiconductors made using soft matter are notoriously prone to oxidation within minutes of air exposure. Here we report high-performance, air-stable n-type CQD solids. Using density functional theory we identify inorganic passivants that bind strongly to the CQD surface and repel oxidative attack. A materials processing strategy that wards off strong protic attack by polar solvents enabled the synthesis of an air-stable n-type PbS CQD solid. This material was used to build an air-processed inverted quantum junction device, which shows the highest current density from any CQD solar cell and a solar power conversion efficiency as high as 8%. We also feature the n-type CQD solid in the rapid, sensitive, and specific detection of atmospheric NO2. This work paves the way for new families of electronic devices that leverage air-stable quantum-tuned materials. © 2014 Macmillan Publishers Limited. All rights reserved.

Air-stable n-type colloidal quantum dot solids

KAUST Repository

Ning, Zhijun

2014-06-08

Colloidal quantum dots (CQDs) offer promise in flexible electronics, light sensing and energy conversion. These applications rely on rectifying junctions that require the creation of high-quality CQD solids that are controllably n-type (electron-rich) or p-type (hole-rich). Unfortunately, n-type semiconductors made using soft matter are notoriously prone to oxidation within minutes of air exposure. Here we report high-performance, air-stable n-type CQD solids. Using density functional theory we identify inorganic passivants that bind strongly to the CQD surface and repel oxidative attack. A materials processing strategy that wards off strong protic attack by polar solvents enabled the synthesis of an air-stable n-type PbS CQD solid. This material was used to build an air-processed inverted quantum junction device, which shows the highest current density from any CQD solar cell and a solar power conversion efficiency as high as 8%. We also feature the n-type CQD solid in the rapid, sensitive, and specific detection of atmospheric NO2. This work paves the way for new families of electronic devices that leverage air-stable quantum-tuned materials. © 2014 Macmillan Publishers Limited. All rights reserved.

Time-dependent occupation numbers in reduced-density-matrix-functional theory: Application to an interacting Landau-Zener model

International Nuclear Information System (INIS)

Requist, Ryan; Pankratov, Oleg

2011-01-01

We prove that if the two-body terms in the equation of motion for the one-body reduced density matrix are approximated by ground-state functionals, the eigenvalues of the one-body reduced density matrix (occupation numbers) remain constant in time. This deficiency is related to the inability of such an approximation to account for relative phases in the two-body reduced density matrix. We derive an exact differential equation giving the functional dependence of these phases in an interacting Landau-Zener model and study their behavior in short- and long-time regimes. The phases undergo resonances whenever the occupation numbers approach the boundaries of the interval [0,1]. In the long-time regime, the occupation numbers display correlation-induced oscillations and the memory dependence of the functionals assumes a simple form.

Communication: Unraveling the {sup 4}He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@{sup 4}He{sub 300}/TiO{sub 2}(110)

Energy Technology Data Exchange (ETDEWEB)

Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Aguirre, Néstor F. [Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain); Stoll, Hermann [Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany); Mitrushchenkov, Alexander O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Mateo, David; Pi, Martí [Department ECM, Facultat de Física, and IN" 2UB, Universitat de Barcelona, Diagonal 645, E-08028 Barcelona (Spain)

2015-04-07

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid {sup 4}He droplets motion are combined to follow the short-time collision dynamics of the Au@{sup 4}He{sub 300} system with the TiO{sub 2}(110) surface. This composite approach demonstrates the {sup 4}He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed {sup 4}He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)].

Hybrid passivated colloidal quantum dot solids

KAUST Repository

Ip, Alex

2012-07-29

Colloidal quantum dot (CQD) films allow large-area solution processing and bandgap tuning through the quantum size effect. However, the high ratio of surface area to volume makes CQD films prone to high trap state densities if surfaces are imperfectly passivated, promoting recombination of charge carriers that is detrimental to device performance. Recent advances have replaced the long insulating ligands that enable colloidal stability following synthesis with shorter organic linkers or halide anions, leading to improved passivation and higher packing densities. Although this substitution has been performed using solid-state ligand exchange, a solution-based approach is preferable because it enables increased control over the balance of charges on the surface of the quantum dot, which is essential for eliminating midgap trap states. Furthermore, the solution-based approach leverages recent progress in metal:chalcogen chemistry in the liquid phase. Here, we quantify the density of midgap trap states in CQD solids and show that the performance of CQD-based photovoltaics is now limited by electrong-"hole recombination due to these states. Next, using density functional theory and optoelectronic device modelling, we show that to improve this performance it is essential to bind a suitable ligand to each potential trap site on the surface of the quantum dot. We then develop a robust hybrid passivation scheme that involves introducing halide anions during the end stages of the synthesis process, which can passivate trap sites that are inaccessible to much larger organic ligands. An organic crosslinking strategy is then used to form the film. Finally, we use our hybrid passivated CQD solid to fabricate a solar cell with a certified efficiency of 7.0%, which is a record for a CQD photovoltaic device. © 2012 Macmillan Publishers Limited. All rights reserved.

Hybrid passivated colloidal quantum dot solids

KAUST Repository

Ip, Alex; Thon, Susanna; Hoogland, Sjoerd H.; Voznyy, Oleksandr; Zhitomirsky, David; Debnath, Ratan K.; Levina, Larissa; Rollny, Lisa R.; Carey, Graham H.; Fischer, Armin H.; Kemp, Kyle W.; Kramer, Illan J.; Ning, Zhijun; Labelle, André J.; Chou, Kang Wei; Amassian, Aram; Sargent, E. H.

2012-01-01

Colloidal quantum dot (CQD) films allow large-area solution processing and bandgap tuning through the quantum size effect. However, the high ratio of surface area to volume makes CQD films prone to high trap state densities if surfaces are imperfectly passivated, promoting recombination of charge carriers that is detrimental to device performance. Recent advances have replaced the long insulating ligands that enable colloidal stability following synthesis with shorter organic linkers or halide anions, leading to improved passivation and higher packing densities. Although this substitution has been performed using solid-state ligand exchange, a solution-based approach is preferable because it enables increased control over the balance of charges on the surface of the quantum dot, which is essential for eliminating midgap trap states. Furthermore, the solution-based approach leverages recent progress in metal:chalcogen chemistry in the liquid phase. Here, we quantify the density of midgap trap states in CQD solids and show that the performance of CQD-based photovoltaics is now limited by electrong-"hole recombination due to these states. Next, using density functional theory and optoelectronic device modelling, we show that to improve this performance it is essential to bind a suitable ligand to each potential trap site on the surface of the quantum dot. We then develop a robust hybrid passivation scheme that involves introducing halide anions during the end stages of the synthesis process, which can passivate trap sites that are inaccessible to much larger organic ligands. An organic crosslinking strategy is then used to form the film. Finally, we use our hybrid passivated CQD solid to fabricate a solar cell with a certified efficiency of 7.0%, which is a record for a CQD photovoltaic device. © 2012 Macmillan Publishers Limited. All rights reserved.

An Evaluation of a Dual Coriolis Meter System for In-Line Monitoring of Suspended Solids Concentrations in Radioactive Slurries

International Nuclear Information System (INIS)

Hylton, T.D.

2000-01-01

The U.S. Department of Energy (DOE) has millions of gallons of radioactive liquid and sludge wastes stored in underground tanks at several of its sites. In order to comply with various regulations and to circumvent potential problems associated with tank integrity, these wastes must be retrieved from the tanks, transferred to treatment facilities (or other storage locations), and processed to stable waste forms. The sludge wastes will typically be mobilized by some mechanical means (e.g., mixer pump, submerged jet) and mixed with the respective supernatants to create slurries that can be transferred by pipeline to the desired destination. Depending on the DOE site, these slurries may be transferred up to six miles. Since the wastes are radioactive, it is critically important for the transfers to be made without plugging a pipeline. To reduce such a risk, the relevant properties of the slurry (e.g., density, suspended solids concentration, viscosity, and particle size distribution) should be determined to be within acceptable limits prior to transfer. These properties should also be continuously monitored and controlled within specified limits while the transfer is in progress. The baseline method for determining the transport properties of slurries involves sampling and analysis; however, this method is time-consuming, and costly, and it does not provide real-time information. In addition, personnel who collect and analyze the samples are exposed to radiation. It is also questionable as to whether a laboratory analyst can obtain representative aliquots from the sample jar for these solid-liquid mixtures. The alternative method for determining the transport properties is in-line analysis. An in-line instrument is one that is connected to the process, analyzes the slurry as it flows through or by the instrument, and provides the results within seconds. This instrument can provide immediate feedback to operators so that, when necessary, the operators can respond

The solar wind plasma density control of night-time auroral particle precipitation

Directory of Open Access Journals (Sweden)

V. G. Vorobjev

2004-03-01

Full Text Available DMSP F6 and F7 spacecraft observations of the average electron and ion energy, and energy fluxes in different night-time precipitation regions for the whole of 1986 were used to examine the precipitation features associated with solar wind density changes. It was found that during magnetic quietness |AL|<100nT, the enhancement of average ion fluxes was observed at least two times, along with the solar wind plasma density increase from 2 to 24cm–3. More pronounced was the ion flux enhancement that occurred in the b2i–b4s and b4s–b5 regions, which are approximately corresponding to the statistical auroral oval and map to the magnetospheric plasma sheet tailward of the isotropy boundary. The average ion energy decrease of about 2–4kev was registered simultaneously with this ion flux enhancement. The results verify the occurrence of effective penetration of the solar wind plasma into the magnetospheric tail plasma sheet. Key words. Ionosphere (auroral ionosphere, particle precipitation – Magnetospheric physics (solar windmagnetosphere interaction

Exact-exchange time-dependent density-functional theory for static and dynamic polarizabilities

International Nuclear Information System (INIS)

Hirata, So; Ivanov, Stanislav; Bartlett, Rodney J.; Grabowski, Ireneusz

2005-01-01

Time-dependent density-functional theory (TDDFT) employing the exact-exchange functional has been formulated on the basis of the optimized-effective-potential (OEP) method of Talman and Shadwick for second-order molecular properties and implemented into a Gaussian-basis-set, trial-vector algorithm. The only approximation involved, apart from the lack of correlation effects and the use of Gaussian-type basis functions, was the consistent use of the adiabatic approximation in the exchange kernel and in the linear response function. The static and dynamic polarizabilities and their anisotropy predicted by the TDDFT with exact exchange (TDOEP) agree accurately with the corresponding values from time-dependent Hartree-Fock theory, the exact-exchange counterpart in the wave function theory. The TDOEP is free from the nonphysical asymptotic decay of the exchange potential of most conventional density functionals or from any other manifestations of the incomplete cancellation of the self-interaction energy. The systematic overestimation of the absolute values and dispersion of polarizabilities that plagues most conventional TDDFT cannot be seen in the TDOEP

Instability heating of solid-fiber Z pinches

International Nuclear Information System (INIS)

Riley, R.A. Jr.

1994-02-01

The Los Alamos High Density Z Pinch-II (HDZP-II) facility is used to study the dynamics of z-pinch plasmas generated from solid fibers of deuterated polyethylene CD 2 with a range in radii of 3--60 μm. HDZP-II is a pulsed-power generator that delivers a current that rises to 700 kA in 100 ns through an inductive load. A multiframe circular schlieren records the evolution of the shape and size of the plasma on seven images taken at 10-ns intervals. These circular-schlieren images show very strong m=0 instability at the onset of current and a rapid radial expansion of the plasma. No higher-order instabilities are observed. An interferometer is used to infer the electron density and electron line density, giving a measure of the fraction of plasma contained within the outline of the circular-schlieren image at one time during the multiframe sequence. A three-channel x-ray crystal-reflection spectrometer provides the time-resolved, spatially-averaged electron temperature. The magnitude of the x-ray emission at these energies also gives qualitative information about the electron temperature and density at late times. A lower bound on the ion temperature is inferred from the particle pressure needed to balance the magnetic field pressure. The ion temperature rose above that of the electrons, strongly suggesting an additional heating term that puts energy directly into the ions. An ion heating term is proposed to explain the observed rapid radial expansion and elevated ion temperatures. This heating term is based on the assumption that the observed m=0 instabilities reconnect, enclosing magnetic flux which degenerates into turbulence in the plasma. A 0-D simulation is developed to investigate the relevance of different physical models to the data presented

Instability heating of solid-fiber Z pinches

Energy Technology Data Exchange (ETDEWEB)

Riley, Jr., Ronald Alan [Univ. of California, San Diego, CA (United States)

1994-02-01

The Los Alamos High Density Z Pinch-II (HDZP-II) facility is used to study the dynamics of z-pinch plasmas generated from solid fibers of deuterated polyethylene CD₂ with a range in radii of 3--60 μm. HDZP-II is a pulsed-power generator that delivers a current that rises to 700 kA in 100 ns through an inductive load. A multiframe circular schlieren records the evolution of the shape and size of the plasma on seven images taken at 10-ns intervals. These circular-schlieren images show very strong m=0 instability at the onset of current and a rapid radial expansion of the plasma. No higher-order instabilities are observed. An interferometer is used to infer the electron density and electron line density, giving a measure of the fraction of plasma contained within the outline of the circular-schlieren image at one time during the multiframe sequence. A three-channel x-ray crystal-reflection spectrometer provides the time-resolved, spatially-averaged electron temperature. The magnitude of the x-ray emission at these energies also gives qualitative information about the electron temperature and density at late times. A lower bound on the ion temperature is inferred from the particle pressure needed to balance the magnetic field pressure. The ion temperature rose above that of the electrons, strongly suggesting an additional heating term that puts energy directly into the ions. An ion heating term is proposed to explain the observed rapid radial expansion and elevated ion temperatures. This heating term is based on the assumption that the observed m=0 instabilities reconnect, enclosing magnetic flux which degenerates into turbulence in the plasma. A 0-D simulation is developed to investigate the relevance of different physical models to the data presented.

Real-time evaluation of electron and current density profile parameters on TEXTOR

International Nuclear Information System (INIS)

Bruessau, W.D.; Soltwisch, H.

1985-08-01

The shapes of electron and current density profiles are monitored in real-time mode in order to get rapid qualitative information on the development of a TEXTOR tokamak plasma. The profiles are described by form parameters which relate to the signals of a 9-channel FIR-polari/interferometer in simple mathematical formulae. These profile parameters are obtained by real-time conversion of measured quantities for display on a storage oscilloscope or on a chart recorder. The application of the parameters is demonstrated in some examples. (orig.)

Gender-related differences in the apparent timing of skeletal density bands in the reef-building coral Siderastrea siderea

Science.gov (United States)

Carricart-Ganivet, J. P.; Vásquez-Bedoya, L. F.; Cabanillas-Terán, N.; Blanchon, P.

2013-09-01

Density banding in skeletons of reef-building corals is a valuable source of proxy environmental data. However, skeletal growth strategy has a significant impact on the apparent timing of density-band formation. Some corals employ a strategy where the tissue occupies previously formed skeleton during as the new band forms, which leads to differences between the actual and apparent band timing. To investigate this effect, we collected cores from female and male colonies of Siderastrea siderea and report tissue thicknesses and density-related growth parameters over a 17-yr interval. Correlating these results with monthly sea surface temperature (SST) shows that maximum skeletal density in the female coincides with low winter SSTs, whereas in the male, it coincides with high summer SSTs. Furthermore, maximum skeletal densities in the female coincide with peak Sr/Ca values, whereas in the male, they coincide with low Sr/Ca values. Both results indicate a 6-month difference in the apparent timing of density-band formation between genders. Examination of skeletal extension rates also show that the male has thicker tissue and extends faster, whereas the female has thinner tissue and a denser skeleton—but both calcify at the same rate. The correlation between extension and calcification, combined with the fact that density banding arises from thickening of the skeleton throughout the depth reached by the tissue layer, implies that S. siderea has the same growth strategy as massive Porites, investing its calcification resources into linear extension. In addition, differences in tissue thicknesses suggest that females offset the greater energy requirements of gamete production by generating less tissue, resulting in differences in the apparent timing of density-band formation. Such gender-related offsets may be common in other corals and require that environmental reconstructions be made from sexed colonies and that, in fossil corals where sex cannot be determined

All-solid-state flexible microsupercapacitors based on reduced graphene oxide/multi-walled carbon nanotube composite electrodes

Science.gov (United States)

Mao, Xiling; Xu, Jianhua; He, Xin; Yang, Wenyao; Yang, Yajie; Xu, Lu; Zhao, Yuetao; Zhou, Yujiu

2018-03-01

All-solid-state flexible microsupercapacitors have been intensely investigated in order to meet the rapidly growing demands for portable microelectronic devices. Herein, we demonstrate a facile, readily scalable and cost-effective laser induction process for preparing reduced graphene oxide/multi-walled carbon nanotube composite, which can be used as the interdigital electrodes in microsupercapacitors. The obtained composite exhibits high volumetric capacitance about 49.35 F cm-3, which is nearly 5 times higher than that of the pristine reduced graphene oxide film in aqueous 1.0 M H2SO4 solution (measured at a current density of 5 A cm-3 in a three-electrode testing). Additionally, an all-solid-state flexible microsupercapacitor employing these composite electrodes with PVA/H3PO4 gel electrolyte delivers high volumetric energy density of 6.47 mWh cm-3 at 10 mW cm-3 under the current density of 20 mA cm-3 as well as achieve excellent cycling stability retaining 88.6% of its initial value and outstanding coulombic efficiency after 10,000 cycles. Furthermore, the microsupercapacitors array connected in series/parallel can be easily adjusted to achieve the demands in practical applications. Therefore, this work brings a promising new candidate of prepare technologies for all-solid-state flexible microsupercapacitors as miniaturized power sources used in the portable and wearable electronics.

Solid pseudopapillary pancreas tumors. Often neglected

International Nuclear Information System (INIS)

Herrmann, K.A.; Reiser, M.F.; Zech, C.J.; Helmberger, T.; Bruns, C.

2008-01-01

Solid pseudopapillary tumors of the pancreas (SPTP) are rare tumors of the pancreas with low malignancy potential and a very good prognostic outcome after surgery. They typically occur in young women or adolescents and consist of solid, cystic and cystic-hemorrhagic components. Imaging findings in these tumors are characteristic and include a fibrotic capsule with a clear delineation and exhibit solid and cystic-hemorrhagic signal and density characteristics. Calcifications may be present in the periphery of the tumor. The tumor capsule shows contrast enhancement, the solid components in the periphery enhance in the early phase and gradually and inhomogeneously in late phases. MRI is superior to CT and other imaging modalities for characterization of SPTP. Awareness and knowledge of this tumor entity with an excellent prognosis is crucial to guide the patient towards effective, predominantly organ-sparing surgical treatment. (orig.) [de

Quantification of VX Nerve Agent in Various Food Matrices by Solid-Phase Extraction Ultra-Performance Liquid ChromatographyTime-of-Flight Mass Spectrometry

Science.gov (United States)

2016-04-01

QUANTIFICATION OF VX NERVE AGENT IN VARIOUS FOOD MATRICES BY SOLID - PHASE EXTRACTION ULTRA-PERFORMANCE...TITLE AND SUBTITLE Quantification of VX Nerve Agent in Various Food Matrices by Solid - Phase Extraction Ultra-Performance Liquid Chromatography...QUANTIFICATION OF VX NERVE AGENT IN VARIOUS FOOD MATRICES BY SOLID - PHASE EXTRACTION ULTRA-PERFORMANCE LIQUID CHROMATOGRAPHY–TIME-OF-FLIGHT MASS

Results of Characterization and Retrieval Testing on Tank 241-C-110 Heel Solids

Energy Technology Data Exchange (ETDEWEB)

Callaway, William S.

2013-09-30

Nine samples of heel solids from tank 241-C-110 were delivered to the 222-S Laboratory for characterization and dissolution testing. After being drained thoroughly, the sample solids were primarily white to light-brown with minor dark-colored inclusions. The maximum dimension of the majority of the solids was <2 mm; however, numerous pieces of aggregate, microcrystalline, and crystalline solids with maximum dimensions ranging from 5-70 mm were observed. In general, the larger pieces of aggregate solids were strongly cemented. Natrophosphate [Na{sub 7}F(PO{sub 4}){sub 2}°19H{sub 2}O] was the dominant solid phase identified in the heel solids. Results of chemical analyses suggested that 85-87 wt% of the heel solids were the fluoridephosphate double salt. The average bulk density measured for the heel solids was 1.689 g/mL; the reference density of natrophosphate is 1.71 g/mL. Dissolution tests on composite samples indicate that 94 to 97 wt% of the tank 241-C-110 heel solids can be retrieved by dissolution in water. Dissolution and recovery of the soluble components in 1 kg (0.59 L) of the heel solids required the addition of ≈9.5 kg (9.5 L) of water at 15 °C and ≈4.4 kg (4.45 L) of water at 45 °C. Calculations performed using the Environmental Simulation Program indicate that dissolution of the ≈0.86 kg of natrophosphate in each kilogram of the tank 241-C-110 heel solids would require ≈9.45 kg of water at 15 °C and ≈4.25 kg of water at 45 °C. The slightly larger quantities of water determined to be required to retrieve the soluble components in 1 kg of the heel solids are consistent with that required for the dissolution of solids composed mainly of natrophosphate with a major portion of the balance consisting of highly soluble sodium salts. At least 98% of the structural water, soluble phosphate, sodium, fluoride, nitrate, carbonate, nitrite, sulfate, oxalate, and chloride in the test composites was dissolved and recovered in the

Colonyzer: automated quantification of micro-organism growth characteristics on solid agar

Directory of Open Access Journals (Sweden)

Young Alexander

2010-05-01

Full Text Available Abstract Background High-throughput screens comparing growth rates of arrays of distinct micro-organism cultures on solid agar are useful, rapid methods of quantifying genetic interactions. Growth rate is an informative phenotype which can be estimated by measuring cell densities at one or more times after inoculation. Precise estimates can be made by inoculating cultures onto agar and capturing cell density frequently by plate-scanning or photography, especially throughout the exponential growth phase, and summarising growth with a simple dynamic model (e.g. the logistic growth model. In order to parametrize such a model, a robust image analysis tool capable of capturing a wide range of cell densities from plate photographs is required. Results Colonyzer is a collection of image analysis algorithms for automatic quantification of the size, granularity, colour and location of micro-organism cultures grown on solid agar. Colonyzer is uniquely sensitive to extremely low cell densities photographed after dilute liquid culture inoculation (spotting due to image segmentation using a mixed Gaussian model for plate-wide thresholding based on pixel intensity. Colonyzer is robust to slight experimental imperfections and corrects for lighting gradients which would otherwise introduce spatial bias to cell density estimates without the need for imaging dummy plates. Colonyzer is general enough to quantify cultures growing in any rectangular array format, either growing after pinning with a dense inoculum or growing with the irregular morphology characteristic of spotted cultures. Colonyzer was developed using the open source packages: Python, RPy and the Python Imaging Library and its source code and documentation are available on SourceForge under GNU General Public License. Colonyzer is adaptable to suit specific requirements: e.g. automatic detection of cultures at irregular locations on streaked plates for robotic picking, or decreasing analysis time by

Influence of isotopic disorder on solid state amorphization and polyamorphism in solid H2O -D2O solutions

Science.gov (United States)

Gromnitskaya, E. L.; Danilov, I. V.; Lyapin, A. G.; Brazhkin, V. V.

2015-10-01

We present a low-temperature and high-pressure ultrasonic study of elastic properties of isotopic H2O-D2O solid solutions, comparing their properties with those of the isotopically pure H2O and D2O ices. Measurements were carried out for solid state amorphization (SSA) from 1h to high-density amorphous (HDA) ice upon compression up to 1.8 GPa at 77 K and for the temperature-induced (77 -190 K ) u-HDA (unrelaxed HDA) → e-HDA (expanded HDA) → low-density amorphous (LDA )→1 c cascade of ice transformations near room pressure. There are many similarities in the elasticity behaviour of H2O ,D2O , and H2O-D2O solid solutions, including the softening of the shear elastic modulus as a precursor of SSA and the HDA →LDA transition. We have found significant isotopic effects during H/D substitution, including elastic softening of H2O -D2O solid solutions with respect to the isotopically pure ices in the case of the bulk moduli of ices 1c and 1h and for both bulk and shear elastic moduli of HDA ice at high pressures (>1 GPa ) . This softening is related to the configurational isotopic disorder in the solid solutions. At low pressures, the isotope concentration dependence of the elastic moduli of u-HDA ice changes remarkably and becomes monotonic with pronounced change of the bulk modulus (≈20 %) .

Stocking density, milking duration, and lying times of lactating cows on Canadian freestall dairy farms.

Science.gov (United States)

Charlton, G L; Haley, D B; Rushen, J; de Passillé, A M

2014-05-01

Lying time is an important measure of cow comfort, and the lying behavior of dairy cattle can now be recorded automatically with the use of accelerometers. To assess the effect that stall stocking density and the time that cows spend away from the home pen being milked has on the lying behavior of Holstein cattle, a total of 111 commercial freestall dairy farms were visited in Canada. Accelerometers were used to automatically record the lying behavior of 40 focal cows per farm. Total duration of lying, lying bout frequency, and the mean duration of lying bouts were calculated. Pen population was the total number of cows in the pen. To calculate stall stocking density (%) the number of cows in the pen and the number of useable stalls were counted and multiplied by 100, and the length × width of the pen was divided by the number of cows in the pen to calculate area/cow (m(2)). Time away from the pen per day was recorded from when the first cow in each pen was taken out of the home pen for milking until the last cow returned to the home pen after milking, and this time was multiplied by daily milking frequency. The median value for lying duration at the farm level was 10.6h/d, with 10.5 lying bouts/d, and a median lying bout duration of 1.2h. Stall stocking density ranged from 52.2 to 160.0%, with very few farms (7%) stocking at greater than 120%. Although stall stocking density was not significantly correlated with lying behavior, the results showed that no farm with stocking density greater that 100% achieved an average herd lying duration of 12h/d or higher, whereas 21.6% of farms with a stocking density of 100% or less did achieve the target lying time of ≥ 12 h/d, as recommended by the Canadian Code of Practice (χ(2)=4.86, degrees of freedom = 1). Area/cow (m(2)) was not correlated with any aspect of lying behavior, but regardless of space per cow, pen population was correlated with daily frequency and duration of lying bouts. As the number of cows in the pen

Some issues for blast from a structural reactive material solid

Science.gov (United States)

Zhang, F.

2018-03-01

Structural reactive material (SRM) is consolidated from a mixture of micro- or nanometric reactive metals and metal compounds to the mixture theoretical maximum density. An SRM can thus possess a higher energy density, relying on various exothermic reactions, and higher mechanical strength and heat resistance than that of conventional CHNO explosives. Progress in SRM solid studies is reviewed specifically as an energy source for air blast through the reaction of fine SRM fragments under explosive loading. This includes a baseline SRM solid explosion characterization, material properties of an SRM solid, and its dynamic fine fragmentation mechanisms and fragment reaction mechanisms. The overview is portrayed mainly from the author's own experimental studies combined with theoretical and numerical explanation. These advances have laid down some fundamentals for the next stage of developments.

Truncation scheme of time-dependent density-matrix approach II

Energy Technology Data Exchange (ETDEWEB)

Tohyama, Mitsuru [Kyorin University School of Medicine, Mitaka, Tokyo (Japan); Schuck, Peter [Institut de Physique Nucleaire, IN2P3-CNRS, Universite Paris-Sud, Orsay (France); Laboratoire de Physique et de Modelisation des Milieux Condenses, CNRS et Universite Joseph Fourier, Grenoble (France)

2017-09-15

A truncation scheme of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy for reduced density matrices, where a three-body density matrix is approximated by two-body density matrices, is improved to take into account a normalization effect. The truncation scheme is tested for the Lipkin model. It is shown that the obtained results are in good agreement with the exact solutions. (orig.)

Spin imaging in solids using synchronously rotating field gradients and samples

International Nuclear Information System (INIS)

Wind, R.A.; Yannoni, C.S.

1983-01-01

A method for spin-imaging in solids using nuclear magnetic resonance (NMR) spectroscopy is described. With this method, the spin density distribution of a two- or three-dimensional object such as a solid can be constructed resulting in an image of the sample. This method lends itself to computer control to map out an image of the object. This spin-imaging method involves the steps of placing a solid sample in the rf coil field and the external magnetic field of an NMR spectrometer. A magnetic field gradient is superimposed across the sample to provide a field gradient which results in a varying DC field that has different values over different parts of the sample. As a result, nuclei in different parts of the sample have different resonant NMR frequencies. The sample is rotated about an axis which makes a particular angle of 54.7 degrees with the static external magnetic field. The magnetic field gradient which has a spatial distribution related to the sample spinning axis is then rotated synchronously with the sample. Data is then collected while performing a solid state NMR line narrowing procedure. The next step is to change the phase relation between the sample rotation and the field gradient rotation. The data is again collected as before while the sample and field gradient are synchronously rotated. The phase relation is changed a number of times and data collected each time. The spin image of the solid sample is then reconstructed from the collected data

Time-dependent current-density functional theory for generalized open quantum systems.

Science.gov (United States)

Yuen-Zhou, Joel; Rodríguez-Rosario, César; Aspuru-Guzik, Alán

2009-06-14

In this article, we prove the one-to-one correspondence between vector potentials and particle and current densities in the context of master equations with arbitrary memory kernels, therefore extending time-dependent current-density functional theory (TD-CDFT) to the domain of generalized many-body open quantum systems (OQS). We also analyse the issue of A-representability for the Kohn-Sham (KS) scheme proposed by D'Agosta and Di Ventra for Markovian OQS [Phys. Rev. Lett. 2007, 98, 226403] and discuss its domain of validity. We suggest ways to expand their scheme, but also propose a novel KS scheme where the auxiliary system is both closed and non-interacting. This scheme is tested numerically with a model system, and several considerations for the future development of functionals are indicated. Our results formalize the possibility of practising TD-CDFT in OQS, hence expanding the applicability of the theory to non-Hamiltonian evolutions.

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock.

Science.gov (United States)

Hesselmann, Andreas; Görling, Andreas

2011-01-21

A recently introduced time-dependent exact-exchange (TDEXX) method, i.e., a response method based on time-dependent density-functional theory that treats the frequency-dependent exchange kernel exactly, is reformulated. In the reformulated version of the TDEXX method electronic excitation energies can be calculated by solving a linear generalized eigenvalue problem while in the original version of the TDEXX method a laborious frequency iteration is required in the calculation of each excitation energy. The lowest eigenvalues of the new TDEXX eigenvalue equation corresponding to the lowest excitation energies can be efficiently obtained by, e.g., a version of the Davidson algorithm appropriate for generalized eigenvalue problems. Alternatively, with the help of a series expansion of the new TDEXX eigenvalue equation, standard eigensolvers for large regular eigenvalue problems, e.g., the standard Davidson algorithm, can be used to efficiently calculate the lowest excitation energies. With the help of the series expansion as well, the relation between the TDEXX method and time-dependent Hartree-Fock is analyzed. Several ways to take into account correlation in addition to the exact treatment of exchange in the TDEXX method are discussed, e.g., a scaling of the Kohn-Sham eigenvalues, the inclusion of (semi)local approximate correlation potentials, or hybrids of the exact-exchange kernel with kernels within the adiabatic local density approximation. The lowest lying excitations of the molecules ethylene, acetaldehyde, and pyridine are considered as examples.

Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding

NARCIS (Netherlands)

Ruger, R.; Niehaus, T.; van Lenthe, E.; Heine, T.; Visscher, L.

2016-01-01

We report a time-dependent density functional based tight-binding (TD-DFTB) scheme for the calculation of UV/Vis spectra, explicitly taking into account the excitation of nuclear vibrations via the adiabatic Hessian Franck-Condon method with a harmonic approximation for the nu- clear wavefunction.

Time-dependent dielectric breakdown measurements of porous organosilicate glass using mercury and solid metal probes

Energy Technology Data Exchange (ETDEWEB)

Pei, Dongfei; Nichols, Michael T.; Shohet, J. Leon, E-mail: shohet@engr.wisc.edu [Plasma Processing and Technology Laboratory, Department of Electrical and Computer Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); King, Sean W.; Clarke, James S. [Intel Corporation, Hillsboro, Oregon 97124 (United States); Nishi, Yoshio [Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States)

2014-09-01

Time-dependent dielectric breakdown (TDDB) is one of the major concerns for low-k dielectric materials. During plasma processing, low-k dielectrics are subjected to vacuum ultraviolet photon radiation and charged-particle bombardment. To examine the change of TDDB properties, time-to-breakdown measurements are made to porous SiCOH before and after plasma exposure. Significant discrepancies between mercury and solid-metal probes are observed and have been shown to be attributed to mercury diffusion into the dielectric porosities.

Time-dependent dielectric breakdown measurements of porous organosilicate glass using mercury and solid metal probes

International Nuclear Information System (INIS)

Pei, Dongfei; Nichols, Michael T.; Shohet, J. Leon; King, Sean W.; Clarke, James S.; Nishi, Yoshio

2014-01-01

Time-dependent dielectric breakdown (TDDB) is one of the major concerns for low-k dielectric materials. During plasma processing, low-k dielectrics are subjected to vacuum ultraviolet photon radiation and charged-particle bombardment. To examine the change of TDDB properties, time-to-breakdown measurements are made to porous SiCOH before and after plasma exposure. Significant discrepancies between mercury and solid-metal probes are observed and have been shown to be attributed to mercury diffusion into the dielectric porosities

A nanostructured surface increases friction exponentially at the solid-gas interface.

Science.gov (United States)

Phani, Arindam; Putkaradze, Vakhtang; Hawk, John E; Prashanthi, Kovur; Thundat, Thomas

2016-09-06

According to Stokes' law, a moving solid surface experiences viscous drag that is linearly related to its velocity and the viscosity of the medium. The viscous interactions result in dissipation that is known to scale as the square root of the kinematic viscosity times the density of the gas. We observed that when an oscillating surface is modified with nanostructures, the experimentally measured dissipation shows an exponential dependence on kinematic viscosity. The surface nanostructures alter solid-gas interplay greatly, amplifying the dissipation response exponentially for even minute variations in viscosity. Nanostructured resonator thus allows discrimination of otherwise narrow range of gaseous viscosity making dissipation an ideal parameter for analysis of a gaseous media. We attribute the observed exponential enhancement to the stochastic nature of interactions of many coupled nanostructures with the gas media.

A nanostructured surface increases friction exponentially at the solid-gas interface

Science.gov (United States)

Phani, Arindam; Putkaradze, Vakhtang; Hawk, John E.; Prashanthi, Kovur; Thundat, Thomas

2016-09-01

According to Stokes’ law, a moving solid surface experiences viscous drag that is linearly related to its velocity and the viscosity of the medium. The viscous interactions result in dissipation that is known to scale as the square root of the kinematic viscosity times the density of the gas. We observed that when an oscillating surface is modified with nanostructures, the experimentally measured dissipation shows an exponential dependence on kinematic viscosity. The surface nanostructures alter solid-gas interplay greatly, amplifying the dissipation response exponentially for even minute variations in viscosity. Nanostructured resonator thus allows discrimination of otherwise narrow range of gaseous viscosity making dissipation an ideal parameter for analysis of a gaseous media. We attribute the observed exponential enhancement to the stochastic nature of interactions of many coupled nanostructures with the gas media.

Estimation of energy density of Li-S batteries with liquid and solid electrolytes

Science.gov (United States)

Li, Chunmei; Zhang, Heng; Otaegui, Laida; Singh, Gurpreet; Armand, Michel; Rodriguez-Martinez, Lide M.

2016-09-01

With the exponential growth of technology in mobile devices and the rapid expansion of electric vehicles into the market, it appears that the energy density of the state-of-the-art Li-ion batteries (LIBs) cannot satisfy the practical requirements. Sulfur has been one of the best cathode material choices due to its high charge storage (1675 mAh g-1), natural abundance and easy accessibility. In this paper, calculations are performed for different cell design parameters such as the active material loading, the amount/thickness of electrolyte, the sulfur utilization, etc. to predict the energy density of Li-S cells based on liquid, polymeric and ceramic electrolytes. It demonstrates that Li-S battery is most likely to be competitive in gravimetric energy density, but not volumetric energy density, with current technology, when comparing with LIBs. Furthermore, the cells with polymer and thin ceramic electrolytes show promising potential in terms of high gravimetric energy density, especially the cells with the polymer electrolyte. This estimation study of Li-S energy density can be used as a good guidance for controlling the key design parameters in order to get desirable energy density at cell-level.

Two-electron Rabi oscillations in real-time time-dependent density-functional theory

International Nuclear Information System (INIS)

Habenicht, Bradley F.; Tani, Noriyuki P.; Provorse, Makenzie R.; Isborn, Christine M.

2014-01-01

We investigate the Rabi oscillations of electrons excited by an applied electric field in several simple molecular systems using time-dependent configuration interaction (TDCI) and real-time time-dependent density-functional theory (RT-TDDFT) dynamics. While the TDCI simulations exhibit the expected single-electron Rabi oscillations at a single resonant electric field frequency, Rabi oscillations in the RT-TDDFT simulations are a two-electron process. The existence of two-electron Rabi oscillations is determined both by full population inversion between field-free molecular orbitals and the behavior of the instantaneous dipole moment during the simulations. Furthermore, the Rabi oscillations in RT-TDDFT are subject to an intensity threshold of the electric field, below which Rabi oscillations do not occur and above which the two-electron Rabi oscillations occur at a broad range of frequencies. It is also shown that at field intensities near the threshold intensity, the field frequency predicted to induce Rabi oscillations by linear response TDDFT only produces detuned Rabi oscillations. Instead, the field frequency that yields the full two-electron population inversion and Rabi oscillation behavior is shown to be the average of single-electron transition frequencies from the ground S 0 state and the doubly-excited S 2 state. The behavior of the two-electron Rabi oscillations is rationalized via two possible models. The first model is a multi-photon process that results from the electric field interacting with the three level system such that three level Rabi oscillations may occur. The second model suggests that the mean-field nature of RT-TDDFT induces paired electron propagation

Semi-solid metal forming of beryllium-reinforced aluminum alloys

International Nuclear Information System (INIS)

Haws, W.; Lane, L.; Marder, J.; Nicholas, N.

1995-01-01

A Powder Metallurgy (PM) based, Semi-Solid Metal (SSM) forming process has been developed to produce low cost near-net shapes of beryllium-reinforced aluminum alloys. Beryllium acts as a reinforcing additive to the aluminum, in which there is nearly no mutual solid solubility. The modulus of elasticity of the alloy dramatically increases, while the density and thermal expansion coefficient decrease with increasing beryllium content. The material is suitable for complex thermal management and vibration resistance applications, as well as for airborne components which are density and stiffness sensitive. The forming process involves heating a blank of the material to a temperature at which the aluminum is semi-solid and the beryllium is solid. The semi-solid blank is then injected without turbulence into a permanent mold. High quality, near net shape components can be produced which are functionally superior to those produced by other permanent mold processes. Dimensional accuracy is equivalent to or better than that obtained in high pressure die casting. Cost effectiveness is the primary advantage of this technique compared to other forming processes. The advantages and limitations of the process are described. Physical and mechanical property data are presented, as well as directions for future investigation

An extrapolation scheme for solid-state NMR chemical shift calculations

Science.gov (United States)

Nakajima, Takahito

2017-06-01

Conventional quantum chemical and solid-state physical approaches include several problems to accurately calculate solid-state nuclear magnetic resonance (NMR) properties. We propose a reliable computational scheme for solid-state NMR chemical shifts using an extrapolation scheme that retains the advantages of these approaches but reduces their disadvantages. Our scheme can satisfactorily yield solid-state NMR magnetic shielding constants. The estimated values have only a small dependence on the low-level density functional theory calculation with the extrapolation scheme. Thus, our approach is efficient because the rough calculation can be performed in the extrapolation scheme.

Effect of coating density on oxidation resistance and Cr vaporization from solid oxide fuel cell interconnects

DEFF Research Database (Denmark)

Talic, Belma; Falk-Windisch, Hannes; Venkatachalam, Vinothini

2017-01-01

•Protective action of dense and porous spinel coatings on Crofer 22 APU was compared. •Reduction and re-oxidation produces denser coatings than heat treating in air only. •Coating density has minor influence on oxidation resistance at 800 °C in air. •Dense coating resulted in three times lower Cr...... evaporation rate than porous coating....

A study on conductivity, density, and viscosity of molten salt systems

International Nuclear Information System (INIS)

Cho, Kangjo

1976-01-01

A relation between the equivalent conductivity and density for molten salts is deduced with the aid of significant structures theory, and the solid state density at melting point is evaluated approximately for some rare-earth metal chlorides and the other chlorides. Furthermore, the relation among the equivalent conductivity, density, and viscosity for some molten salts is discussed. (auth.)

Plasma density evolution in plasma opening switch obtained by a time-resolved sensitive He-Ne interferometer

Science.gov (United States)

Chen, Lin; Ren, Jing; Guo, Fan; Zhou, LiangJi; Li, Ye; He, An; Jiang, Wei

2014-03-01

To understand the formation process of vacuum gap in coaxial microsecond conduction time plasma opening switch (POS), we have made measurements of the line-integrated plasma density during switch operation using a time-resolved sensitive He-Ne interferometer. The conduction current and conduction time in experiments are about 120 kA and 1 μs, respectively. As a result, more than 85% of conduction current has been transferred to an inductive load with rise time of 130 ns. The radial dependence of the density is measured by changing the radial location of the line-of-sight for shots with the same nominal POS parameters. During the conduction phase, the line-integrated plasma density in POS increases at all radial locations over the gun-only case by further ionization of material injected from the guns. The current conduction is observed to cause a radial redistribution of the switch plasma. A vacuum gap forms rapidly in the plasma at 5.5 mm from the center conductor, which is consistent with the location where magnetic pressure is the largest, allowing current to be transferred from the POS to the load.

Solid electrolyte for solid-state batteries: Have lithium-ion batteries reached their technical limit?

Energy Technology Data Exchange (ETDEWEB)

Kartini, Evvy [Center for Science and Technology of Advanced Materials – National Nuclear Energy Agency, Kawasan Puspiptek Serpong, Tangerang Selatan15314, Banten (Indonesia); Manawan, Maykel [Post Graduate Program of Materials Science, University of Indonesia, Jl.Salemba Raya No.4, Jakarta 10430 (Indonesia)

2016-02-08

With increasing demand for electrical power on a distribution grid lacking storage capabilities, utilities and project developers must stabilize what is currently still intermittent energy production. In fact, over half of utility executives say “the most important emerging energy technology” is energy storage. Advanced, low-cost battery designs are providing promising stationary storage solutions that can ensure reliable, high-quality power for customers, but research challenges and questions lefts. Have lithium-ion batteries (LIBs) reached their technical limit? The industry demands are including high costs, inadequate energy densities, long recharge times, short cycle-life times and safety must be continually addressed. Safety is still the main problem on developing the lithium ion battery.The safety issue must be considered from several aspects, since it would become serious problems, such as an explosion in a Japan Airlines 787 Dreamliner’s cargo hold, due to the battery problem. The combustion is mainly due to the leakage or shortcut of the electrodes, caused by the liquid electrolyte and polymer separator. For this reason, the research on solid electrolyte for replacing the existing liquid electrolyte is very important. The materials used in existing lithium ion battery, such as a separator and liquid electrolyte must be replaced to new solid electrolytes, solid materials that exhibits high ionic conductivity. Due to these reasons, research on solid state ionics materials have been vastly growing worldwide, with the main aim not only to search new solid electrolyte to replace the liquid one, but also looking for low cost materials and environmentally friendly. A revolutionary paradigm is also required to design new stable anode and cathode materials that provide electrochemical cells with high energy, high power, long lifetime and adequate safety at competitive manufacturing costs. Lithium superionic conductors, which can be used as solid electrolytes

Solid electrolyte for solid-state batteries: Have lithium-ion batteries reached their technical limit?

International Nuclear Information System (INIS)

Kartini, Evvy; Manawan, Maykel

2016-01-01

With increasing demand for electrical power on a distribution grid lacking storage capabilities, utilities and project developers must stabilize what is currently still intermittent energy production. In fact, over half of utility executives say “the most important emerging energy technology” is energy storage. Advanced, low-cost battery designs are providing promising stationary storage solutions that can ensure reliable, high-quality power for customers, but research challenges and questions lefts. Have lithium-ion batteries (LIBs) reached their technical limit? The industry demands are including high costs, inadequate energy densities, long recharge times, short cycle-life times and safety must be continually addressed. Safety is still the main problem on developing the lithium ion battery.The safety issue must be considered from several aspects, since it would become serious problems, such as an explosion in a Japan Airlines 787 Dreamliner’s cargo hold, due to the battery problem. The combustion is mainly due to the leakage or shortcut of the electrodes, caused by the liquid electrolyte and polymer separator. For this reason, the research on solid electrolyte for replacing the existing liquid electrolyte is very important. The materials used in existing lithium ion battery, such as a separator and liquid electrolyte must be replaced to new solid electrolytes, solid materials that exhibits high ionic conductivity. Due to these reasons, research on solid state ionics materials have been vastly growing worldwide, with the main aim not only to search new solid electrolyte to replace the liquid one, but also looking for low cost materials and environmentally friendly. A revolutionary paradigm is also required to design new stable anode and cathode materials that provide electrochemical cells with high energy, high power, long lifetime and adequate safety at competitive manufacturing costs. Lithium superionic conductors, which can be used as solid electrolytes

Solid electrolyte for solid-state batteries: Have lithium-ion batteries reached their technical limit?

Science.gov (United States)

Kartini, Evvy; Manawan, Maykel

2016-02-01

With increasing demand for electrical power on a distribution grid lacking storage capabilities, utilities and project developers must stabilize what is currently still intermittent energy production. In fact, over half of utility executives say "the most important emerging energy technology" is energy storage. Advanced, low-cost battery designs are providing promising stationary storage solutions that can ensure reliable, high-quality power for customers, but research challenges and questions lefts. Have lithium-ion batteries (LIBs) reached their technical limit? The industry demands are including high costs, inadequate energy densities, long recharge times, short cycle-life times and safety must be continually addressed. Safety is still the main problem on developing the lithium ion battery.The safety issue must be considered from several aspects, since it would become serious problems, such as an explosion in a Japan Airlines 787 Dreamliner's cargo hold, due to the battery problem. The combustion is mainly due to the leakage or shortcut of the electrodes, caused by the liquid electrolyte and polymer separator. For this reason, the research on solid electrolyte for replacing the existing liquid electrolyte is very important. The materials used in existing lithium ion battery, such as a separator and liquid electrolyte must be replaced to new solid electrolytes, solid materials that exhibits high ionic conductivity. Due to these reasons, research on solid state ionics materials have been vastly growing worldwide, with the main aim not only to search new solid electrolyte to replace the liquid one, but also looking for low cost materials and environmentally friendly. A revolutionary paradigm is also required to design new stable anode and cathode materials that provide electrochemical cells with high energy, high power, long lifetime and adequate safety at competitive manufacturing costs. Lithium superionic conductors, which can be used as solid electrolytes

Charge density study of two FeS2 polymorphs

DEFF Research Database (Denmark)

Schmøkel, Mette Stokkebro; Jørgensen, Mads Ry Vogel; Bjerg, Lasse

Experimental charge density studies of inorganic solids have proven to be a difficult task due to systematic errors related to data collection such as absorption and extinction; however, the use of synchrotron radiation has the potential to minimize these problems. [1] One of the pioneering...... experimental electron density studies of an inorganic solid containing a transition metal was presented by Stevens et al. [2] who investigated the effect of crystal-field splitting of the partially filled iron d-orbitals in the pyrite structure of FeS2. Other studies of various FeS2 structures, including...... pyrite, has been performed by Gibbs et al. [3], however, these are all based on theoretical calculations rather than experiment. In the current study we revisit FeS2 through an experimental charge density study of the two low-spin iron FeS2 structures, pyrite and marcasite. High-quality, low...

Carbon-free Solid Dispersion LiCoO2 Redox Couple Characterization and Electrochemical Evaluation for All Solid Dispersion Redox Flow Batteries

International Nuclear Information System (INIS)

Qi, Zhaoxiang; Liu, Aaron L.; Koenig, Gary M.

2017-01-01

Highlights: • LiCoO 2 particles can be cycled in carbon-free and binder-free coin cells. • A carbon-free LiCoO 2 suspension is electrochemically oxidized and reduced. • Comparable size LiCoO 2 and Li 4 Ti 5 O 12 suspensions have similar rheological properties. • First demonstration of redox couples with solid suspensions for both electrodes. - Abstract: Semi-solid flow batteries have been reported to have among the highest energy densities for redox flow batteries, however, they rely on percolated carbon networks which increase the electrolyte viscosity significantly. We report the first demonstration of carbon-free redox flow couples comprised of dispersed lithium-ion battery active material suspensions, with sub-micrometer LiCoO 2 (LCO) particles at the cathode and Li 4 Ti 5 O 12 (LTO) particles at the anode. Both electrochemical and rheological properties of the LCO suspensions are reported and compared to previous reports for LTO dispersed electrochemical redox couples. An LTO anode and LCO cathode full cell was constructed and reversible electrochemical redox reaction of the dispersed particles was successfully demonstrated. This carbon-free dispersed lithium-ion active material full cell provides a proof-of-concept for a system that lies between the relatively high viscosity semi-solid flow cells with percolated carbon networks and the relatively low energy density conventional flow cells comprised of dissolved transition metals, providing a system for future study of the trade-off between energy density and viscosity for electrochemical flow cells that rely on solid active materials.

Li-ion conduction in the LiBH4:LiI system from Density Functional Theory calculations and Quasi-Elastic Neutron Scattering

DEFF Research Database (Denmark)

Myrdal, Jon Steinar Gardarsson; Blanchard, Didier; Sveinbjörnsson, Dadi Þorsteinn

2013-01-01

The hexagonal high-temperature polymorph of LiBH4 is stabilized by solid solution with LiI to exhibit superionic Li+ ionic conductivity at room temperature. Herein, the mechanisms for the Li+ diffusion are investigated for the first time by density functional theory (DFT) calculations coupled...

Spectroscopic investigation of the charge dynamics of heavy ions penetrating solid and gaseous targets

International Nuclear Information System (INIS)

Korostiy, S.

2007-01-01

This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of 48 Ca 6+ - 48 Ca 10+ and 26 Mg 5+ ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile K-shell spectra is used to calculate the ion velocity in dependence on the ion penetration depth in the target material. A comparative analysis of K α spectra of fast heavy ions is performed in solid (silica aerogels) and gaseous targets (Ar and Ne gases) at the same ion energy. It is shown that the dominant role of collisions in dense matter leads to an increase of the effective ionization cross section at high ion velocity and suppression of the electron capture to the projectile ion excited states at low ion velocity. As a result, an increase of the ion charge state in dense matter is observed. The experimentally detected effects are interpreted with numerical calculations of the projectile population kinetics, which are in good agreement with measurements. (orig.)

Spectroscopic investigation of the charge dynamics of heavy ions penetrating solid and gaseous targets

Energy Technology Data Exchange (ETDEWEB)

Korostiy, S

2007-01-15

This thesis presents the study of the slowing down process of fast heavy ions inside matter. In the framework of this research, the influence of the target density on the stopping process is investigated. Experiments on the interaction of {sup 48}Ca{sup 6+}-{sup 48}Ca{sup 10+} and {sup 26}Mg{sup 5+} ion beams with initial energies of 11.4 MeV/u and 5.9 MeV/u with solid and gaseous targets have been carried out. A novel diagnostic method, X-ray spectroscopy of K-shell projectile radiation, is used to determine the ion charge state in relation to its velocity during the penetration of fast heavy ions inside the stopping material. A spatially resolved analysis of the projectile and target radiation in solids is achieved for the first time. The application of low-density silica aerogels as stopping media provided a stretching of the ion stopping length by 20 - 100 times in comparison with solid quartz. The Doppler Effect observed on the projectile K-shell spectra is used to calculate the ion velocity in dependence on the ion penetration depth in the target material. A comparative analysis of K{sub {alpha}} spectra of fast heavy ions is performed in solid (silica aerogels) and gaseous targets (Ar and Ne gases) at the same ion energy. It is shown that the dominant role of collisions in dense matter leads to an increase of the effective ionization cross section at high ion velocity and suppression of the electron capture to the projectile ion excited states at low ion velocity. As a result, an increase of the ion charge state in dense matter is observed. The experimentally detected effects are interpreted with numerical calculations of the projectile population kinetics, which are in good agreement with measurements. (orig.)

Recommended reference materials for realization of physicochemical properties density

CERN Document Server

Herington, E F G

1976-01-01

This book first presents the nomenclature and units used in the determination of densities of liquids and solids, followed by a general description of the apparatus and the methods used in the measurement of density, with particular reference to the pycnometric, hydrostatic weighing, magnetic float, and temperature flotation methods. The use of water as a density reference material is then explained, focusing on the isotopic composition of Standard Mean Ocean Water (SMOW) and the absolute density of SMOW as a function of temperature. Problems due to the effect of pressure and dissolved gases o

U.S. Heavy Ion Beam Research for High Energy Density Physics Applications and Fusion

International Nuclear Information System (INIS)

Davidson, R.C.; Logan, B.G.; Barnard, J.J.; Bieniosek, F.M.; Briggs, R.J.

2005-01-01

Key scientific results from recent experiments, modeling tools, and heavy ion accelerator research are summarized that explore ways to investigate the properties of high energy density matter in heavy-ion-driven targets, in particular, strongly-coupled plasmas at 0.01 to 0.1 times solid density for studies of warm dense matter, which is a frontier area in high energy density physics. Pursuit of these near-term objectives has resulted in many innovations that will ultimately benefit heavy ion inertial fusion energy. These include: neutralized ion beam compression and focusing, which hold the promise of greatly improving the stage between the accelerator and the target chamber in a fusion power plant; and the Pulse Line Ion Accelerator (PLIA), which may lead to compact, low-cost modular linac drivers

On the relation between texture perception and fundamental mechanical parameters for liquids and time dependent solids

NARCIS (Netherlands)

Vliet, van T.

2002-01-01

Abstract Aspects of the relationship between texture perception in the mouth and fundamental mechanical parameters for liquids and time dependent solids are discussed. The emphasis is on the physical side of the relation. The importance is stressed of the incorporation of a thorough knowledge of

Fast-Rate Capable Electrode Material with Higher Energy Density than LiFePO4: 4.2V LiVPO4F Synthesized by Scalable Single-Step Solid-State Reaction.

Science.gov (United States)

Kim, Minkyung; Lee, Seongsu; Kang, Byoungwoo

2016-03-01

Use of compounds that contain fluorine (F) as electrode materials in lithium ion batteries has been considered, but synthesizing single-phase samples of these compounds is a difficult task. Here, it is demonstrated that a simple scalable single-step solid-state process with additional fluorine source can obtain highly pure LiVPO 4 F. The resulting material with submicron particles achieves very high rate capability ≈100 mAh g -1 at 60 C-rate (1-min discharge) and even at 200 C-rate (18 s discharge). It retains superior capacity, ≈120 mAh g -1 at 10 C charge/10 C discharge rate (6-min) for 500 cycles with >95% retention efficiency. Furthermore, LiVPO 4 F shows low polarization even at high rates leading to higher operating potential >3.45 V (≈3.6 V at 60 C-rate), so it achieves high energy density. It is demonstrated for the first time that highly pure LiVPO 4 F can achieve high power capability comparable to LiFePO 4 and much higher energy density (≈521 Wh g -1 at 20 C-rate) than LiFePO 4 even without nanostructured particles. LiVPO 4 F can be a real substitute of LiFePO 4.

Solid-state sintering of tungsten heavy alloys

International Nuclear Information System (INIS)

Gurwell, W.E.

1994-10-01

Solid-state sintering is a technologically important step in the fabrication of tungsten heavy alloys. This work addresses practical variables affecting the sinterability: powder particle size, powder mixing, and sintering temperature and time. Compositions containing 1 to 10 micrometer (μM) tungsten (W) powders can be fully densified at temperatures near the matrix solidus. Blending with an intensifier bar provided good dispersion of elemental powders and good as-sintered mechanical properties under adequate sintering conditions. Additional ball milling increases powder bulk density which primarily benefits mold and die filling. Although fine, 1 μm W powder blends have high sinterability, higher as-sintered ductilities are reached in shorter sintering times with coarser, 5 μm W powder blends; 10μm W powder blends promise the highest as-sintered ductilities due to their coarse microstructural W

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

Science.gov (United States)

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

Method for determining scan timing based on analysis of formation process of the time-density curve

International Nuclear Information System (INIS)

Yamaguchi, Isao; Ishida, Tomokazu; Kidoya, Eiji; Higashimura, Kyoji; Suzuki, Masayuki

2005-01-01

A strict determination of scan timing is needed for dynamic multi-phase scanning and 3D-CT angiography (3D-CTA) by multi-detector row CT (MDCT). In the present study, contrast media arrival time (T AR ) was measured in the abdominal aorta at the bifurcation of the celiac artery for confirmation of circulatory differences in patients. In addition, we analyzed the process of formation of the time-density curve (TDC) and examined factors that affect the time to peak aortic enhancement (T PA ). Mean T AR was 15.57±3.75 s. TDCs were plotted for each duration of injection. The rising portions of TDCs were superimposed on one another. TDCs with longer injection durations were piled up upon one another. Rise angle was approximately constant in response to each flow rate. Rise time (T R ) showed a good correlation with injection duration (T ID ). T R was 1.01 T ID (R 2 =0.994) in the phantom study and 0.94 T lD -0.60 (R 2 =0.988) in the clinical study. In conclusion, for the selection of optimal scan timing it is useful to determine T R at a given point and to determine the time from T AR . (author)

Numerically stable fluid–structure interactions between compressible flow and solid structures

KAUST Repository

Grétarsson, Jón Tómas

2011-04-01

We propose a novel method to implicitly two-way couple Eulerian compressible flow to volumetric Lagrangian solids. The method works for both deformable and rigid solids and for arbitrary equations of state. The method exploits the formulation of [11] which solves compressible fluid in a semi-implicit manner, solving for the advection part explicitly and then correcting the intermediate state to time tn+1 using an implicit pressure, obtained by solving a modified Poisson system. Similar to previous fluid-structure interaction methods, we apply pressure forces to the solid and enforce a velocity boundary condition on the fluid in order to satisfy a no-slip constraint. Unlike previous methods, however, we apply these coupled interactions implicitly by adding the constraint to the pressure system and combining it with any implicit solid forces in order to obtain a strongly coupled, symmetric indefinite system (similar to [17], which only handles incompressible flow). We also show that, under a few reasonable assumptions, this system can be made symmetric positive-definite by following the methodology of [16]. Because our method handles the fluid-structure interactions implicitly, we avoid introducing any new time step restrictions and obtain stable results even for high density-to-mass ratios, where explicit methods struggle or fail. We exactly conserve momentum and kinetic energy (thermal fluid-structure interactions are not considered) at the fluid-structure interface, and hence naturally handle highly non-linear phenomenon such as shocks, contacts and rarefactions. © 2011 Elsevier Inc.

Mixing of solids in different mixing devices

Indian Academy of Sciences (India)

INGRID BAUMAN, DUŠKA ´CURI ´C and MATIJA BOBAN ... whose main cause is the difference in particle size, density shape and resilience. ..... Gyebis J, Katai F 1990 Determination and randomness in mixing of particulate solids, Chem.

Orbital approach to the electronic structure of solids

CERN Document Server

Canadell, Enric; Iung, Christophe

2012-01-01

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

Relativistic time-dependent local-density approximation theory and applications to atomic physics

International Nuclear Information System (INIS)

Parpia, F.Z.

1984-01-01

A time-dependent linear-response theory appropriate to the relativistic local-density approximation (RLDA) to quantum electrodynamics (QED) is developed. The resulting theory, the relativistic time-dependent local-density approximation (RTDLDA) is specialized to the treatment of electric excitations in closed-shell atoms. This formalism is applied to the calculation of atomic photoionization parameters in the dipole approximation. The static-field limit of the RTDLDA is applied to the calculation of dipole polarizabilities. Extensive numerical calculations of the photoionization parameters for the rare gases neon, argon, krypton, and xenon, and for mercury from the RTDLDA are presented and compared in detail with the results of other theories, in particular the relativistic random-phase approximation (RRPA), and with experimental measurements. The predictions of the RTDLDA are comparable with the RRPA calculations made to date. This is remarkable in that the RTDLDA entails appreciably less computational effort. Finally, the dipole polarizabilities predicted by the static-field RTDLDA are compared with other determinations of these quantities. In view of its simplicity, the static-field RTDLDA demonstrates itself to be one of the most powerful theories available for the calculation of dipole polarizabilities

Experimental verification of agreement between thermal and real time visual melt-solid interface positions in vertical Bridgman grown germanium

Science.gov (United States)

Barber, P. G.; Fripp, A. L.; Debnam, W. J.; Woodell, G.; Berry, R. F.; Simchick, R. T.

1996-03-01

Measurements of the liquid-solid interface position during crystal growth were made by observing the discontinuity of the temperature gradient with movable thermocouples in a centerline, quartz capillary placed inside a sealed quartz ampoule of germanium in a vertical Bridgman furnace. Simultaneously, in situ, real time visual observations, using X-ray imaging technology, determined the position of the melt-solid interface. The radiographically detected interface position was several millimeters from the thermal interface position and the direction of displacement depended upon the direction of thermocouple insertion. Minimization of this spurious heat flow was achieved by using an unclad thermocouple that had each of its two wire leads entering the capillary from different ends of the furnace. Using this configuration the visual interface coincided with the thermal interface. Such observations show the utility of using in situ, real time visualization to record the melt-solid interface shape and position during crystal growth; and they suggest improvements in furnace and ampoule designs for use in high thermal gradients.

Effect of cultural conditions on antrodin C production by basidiomycete Antrodia camphorata in solid-state fermentation.

Science.gov (United States)

Xia, Yongjun; Wang, Yuanlong; Zhang, Bobo; Xu, Ganrong; Ai, Lianzhong

2014-01-01

Antrodia camphorata is a medicinal fungus and antrodin C is one of the main bioactive components of A. camphorata in the submerged fermentation (SmF). To optimize the culture conditions, the factors influencing the production of antrodin C by A. camphorata under solid-state fermentation (SSF) were investigated in this study. Different solid substrates and external nitrogen sources were tested for their efficiency in producing antrodin C. The response surface methodology was applied to evaluate the influence of several variables, namely, the concentrations of soybean meal, initial moisture content, and inoculum density on antrodin C production in solid-state fermentation. The experimental results show that the optimum fermentation medium for antrodin C production by A. camphorata was composed of 0.578 g soybean meal, 0.05 g Na2 HPO4 , 0.05 g MgSO4 for 100 g rice, with 51.83% initial moisture content, 22 day culture time, 28 °C culture temperature, and 35.54% inoculum density. At optimized conditions, 6,617.36 ± 92.71 mg kg(-1) yield of antrodin C was achieved. Solid-state fermentation is one good cultural method to improve the production of antrodin C by A. camphorata. © 2014 International Union of Biochemistry and Molecular Biology, Inc.

Controlling growth density and patterning of single crystalline silicon nanowires

International Nuclear Information System (INIS)

Chang, Tung-Hao; Chang, Yu-Cheng; Liu, Fu-Ken; Chu, Tieh-Chi

2010-01-01

This study examines the usage of well-patterned Au nanoparticles (NPs) as a catalyst for one-dimensional growth of single crystalline Si nanowires (NWs) through the vapor-liquid-solid (VLS) mechanism. The study reports the fabrication of monolayer Au NPs through the self-assembly of Au NPs on a 3-aminopropyltrimethoxysilane (APTMS)-modified silicon substrate. Results indicate that the spin coating time of Au NPs plays a crucial role in determining the density of Au NPs on the surface of the silicon substrate and the later catalysis growth of Si NWs. The experiments in this study employed optical lithography to pattern Au NPs, treating them as a catalyst for Si NW growth. The patterned Si NW structures easily produced and controlled Si NW density. This approach may be useful for further studies on single crystalline Si NW-based nanodevices and their properties.

Ionization potential depression in an atomic-solid-plasma picture

Science.gov (United States)

Rosmej, F. B.

2018-05-01

Exotic solid density matter such as heated hollow crystals allow extended material studies while their physical properties and models such as the famous ionization potential depression are presently under renewed controversial discussion. Here we develop an atomic-solid-plasma (ASP) model that permits ionization potential depression studies also for single and multiple core hole states. Numerical calculations show very good agreement with recently available data not only in absolute values but also for Z-scaled properties while currently employed methods fail. For much above solid density compression, the ASP model predicts increased K-edge energies that are related to a Fermi surface rising. This is in good agreement with recent quantum molecular dynamics simulations. For hot dense matter a quantum number dependent optical electron finite temperature ion sphere model is developed that fits well with line shift and line disappearance data from dense laser produced plasma experiments. Finally, the physical transparency of the ASP picture allows a critical discussion of current methods.

Time-dependent quantum fluid density functional theory of hydrogen ...

Indian Academy of Sciences (India)

WINTEC

density functional theory; quantum fluid dynamics. 1. Introduction ... dynamics of strongly non-linear interaction of atoms with intense ... theory and quantum fluid dynamics in real space. .... clear evidence of bond softening since density in the.

Time-dependent density functional theory for open quantum systems with unitary propagation.

Science.gov (United States)

Yuen-Zhou, Joel; Tempel, David G; Rodríguez-Rosario, César A; Aspuru-Guzik, Alán

2010-01-29

We extend the Runge-Gross theorem for a very general class of open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS) time-dependent density functional theory, it is possible to rigorously include the effects of the environment within a bath functional in the KS potential. A Markovian bath functional inspired by the theory of nonlinear Schrödinger equations is suggested, which can be readily implemented in currently existing real-time codes. Finally, calculations on a helium model system are presented.

Prediction of changes in important physical parameters during composting of separated animal slurry solid fractions

DEFF Research Database (Denmark)

Chowdhury, Md Albarune; de Neergaard, Andreas; Jensen, Lars Stoumann

2014-01-01

Solid-liquid separation of animal slurry, with solid fractions used for composting, has gained interest recently. However, efficient composting of separated animal slurry solid fractions (SSFs) requires a better understanding of the process dynamics in terms of important physical parameters...... and their interacting physical relationships in the composting matrix. Here we monitored moisture content, bulk density, particle density and air-filled porosity (AFP) during composting of SSF collected from four commercially available solid-liquid separators. Composting was performed in laboratory-scale reactors...... for 30 days (d) under forced aeration and measurements were conducted on the solid samples at the beginning of composting and at 10-d intervals during composting. The results suggest that differences in initial physical properties of SSF influence the development of compost maximum temperatures (40...

First-principles calculations of Moessbauer hyperfine parameters for solids and large molecules

International Nuclear Information System (INIS)

Guenzburger, Diana; Ellis, D.E.; Zeng, Z.

1997-10-01

Electronic structure calculations based on Density Functional theory were performed for solids and large molecules. The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Moessbauer hyperfine parameters were derived. (author)

Joint Mapping of Mobility and Trap Density in Colloidal Quantum Dot Solids

KAUST Repository

Stadler, Philipp; Sutherland, Brandon R.; Ren, Yuan; Ning, Zhijun; Simchi, Arash; Thon, Susanna M.; Hoogland, Sjoerd; Sargent, Edward H.

2013-01-01

to be harnessed. Here, we deploy nanodielectric field-effect transistors to map the energy landscape within the band gap of a colloidal quantum dot solid. We exploit the self-limiting nature of the potentiostatic anodization growth mode to produce the thinnest

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

Science.gov (United States)

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

Energy density and storage capacity cost comparison of conceptual solid and liquid sorption seasonal heat storage systems for low-temperature space heating

NARCIS (Netherlands)

Scapino, L.; Zondag, H.A.; Van Bael, J.; Diriken, J.; Rindt, C.C.M.

Sorption heat storage can potentially store thermal energy for long time periods with a higher energy density compared to conventional storage technologies. A performance comparison in terms of energy density and storage capacity costs of different sorption system concepts used for seasonal heat