Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations.

PubMed

Horn, Paul R; Head-Gordon, Martin

2016-02-28

In energy decomposition analysis (EDA) of intermolecular interactions calculated via density functional theory, the initial supersystem wavefunction defines the so-called "frozen energy" including contributions such as permanent electrostatics, steric repulsions, and dispersion. This work explores the consequences of the choices that must be made to define the frozen energy. The critical choice is whether the energy should be minimized subject to the constraint of fixed density. Numerical results for Ne2, (H2O)2, BH3-NH3, and ethane dissociation show that there can be a large energy lowering associated with constant density orbital relaxation. By far the most important contribution is constant density inter-fragment relaxation, corresponding to charge transfer (CT). This is unwanted in an EDA that attempts to separate CT effects, but it may be useful in other contexts such as force field development. An algorithm is presented for minimizing single determinant energies at constant density both with and without CT by employing a penalty function that approximately enforces the density constraint.

Evolution of density and velocity profiles of dark matter and dark energy in spherical voids

NASA Astrophysics Data System (ADS)

Novosyadlyj, Bohdan; Tsizh, Maksym; Kulinich, Yurij

2017-02-01

We analyse the evolution of cosmological perturbations which leads to the formation of large isolated voids in the Universe. We assume that initial perturbations are spherical and all components of the Universe (radiation, matter and dark energy) are continuous media with ideal fluid energy-momentum tensors, which interact only gravitationally. Equations of the evolution of perturbations for every component in the comoving to cosmological background reference frame are obtained from equations of energy and momentum conservation and Einstein's ones and are integrated numerically. Initial conditions are set at the early stage of evolution in the radiation-dominated epoch, when the scale of perturbation is much larger than the particle horizon. Results show how the profiles of density and velocity of matter and dark energy are formed and how they depend on parameters of dark energy and initial conditions. In particular, it is shown that final matter density and velocity amplitudes change within range ˜4-7 per cent when the value of equation-of-state parameter of dark energy w vary in the range from -0.8 to -1.2, and change within ˜1 per cent only when the value of effective sound speed of dark energy vary over all allowable range of its values.

[Copper recovery from artificial bioleaching lixivium of waste printed circuit boards].

PubMed

Cheng, Dan; Zhu, Neng-Wu; Wu, Ping-Xiao; Zou, Ding-Hui; Xing, Yi-Jia

2014-04-01

The key step to realize metal recovery from bioleaching solutions is the recovery of copper from bioleaching lixivium of waste printed circuit boards in high-grade form. The influences of cathode material, current density, initial pH and initial copper ion concentration on the efficiency and energy consumption of copper recovery from artificial bioleaching lixivium under condition of constant current were investigated using an electro-deposition approach. The results showed that the larger specific surface area of the cathode material (carbon felt) led to the higher copper recovery efficiency (the recovery efficiencies of the anode and the cathode chambers were 96.56% and 99.25%, respectively) and the smaller the total and unit mass product energy consumption (the total and unit mass product energy consumptions were 0.022 kW x h and 15.71 kW x h x kg(-1), respectively). The copper recovery efficiency and energy consumption increased with the increase of current density. When the current density was 155.56 mA x cm(-2), the highest copper recovery efficiencies in the anode and cathode chambers reached 98.51% and 99.37%, respectively. Accordingly, the highest total and unit mass product energy consumptions were 0.037 kW x h and 24.34 kW x h x kg(-1), respectively. The copper recovery efficiency was also significantly affected by the initial copper ion concentration. The increase of the initial copper ion concentration would lead to faster decrease of copper ion concentration, higher total energy consumption, and lower unit mass product consumption. However, the initial pH had no significant effect on the copper recovery efficiency. Under the optimal conditions (carbon felt for cathode materials, current density of 111.11 mA x cm(-2), initial pH of 2.0, and initial copper ion concentration of 10 g x L(-1)), the copper recovery efficiencies of the anode and cathode chambers were 96.75% and 99.35%, and the total and unit mass product energy consumptions were 0.021 kW x h and 14.61 kW x h x kg(-1), respectively. The deposited copper on the cathode material was fascicularly distributed and no oxygen was detected.

Longitudinal density modulation and energy conversion in intense beams.

PubMed

Harris, J R; Neumann, J G; Tian, K; O'Shea, P G

2007-08-01

Density modulation of charged particle beams may occur as a consequence of deliberate action, or may occur inadvertently because of imperfections in the particle source or acceleration method. In the case of intense beams, where space charge and external focusing govern the beam dynamics, density modulation may, under some circumstances, be converted to velocity modulation, with a corresponding conversion of potential energy to kinetic energy. Whether this will occur depends on the properties of the beam and the initial modulation. This paper describes the evolution of discrete and continuous density modulations on intense beams and discusses three recent experiments related to the dynamics of density-modulated electron beams.

Dynamical initial-state model for relativistic heavy-ion collisions

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

Shen, Chun; Schenke, Bjorn

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directlymore » from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.« less

Dynamical initial-state model for relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Shen, Chun; Schenke, Björn

2018-02-01

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy-ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a fluctuating time depending on sampled final rapidities. Energy is deposited in space time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directly from the initial-state model, including net-baryon rapidity distributions, two-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. We also present the implementation of the model with 3+1-dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial-state model at proper times greater than the initial time for the hydrodynamic simulation.

Dynamical initial-state model for relativistic heavy-ion collisions

DOE PAGES

Shen, Chun; Schenke, Bjorn

2018-02-15

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directlymore » from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.« less

Late-Time Mixing Sensitivity to Initial Broadband Surface Roughness in High-Energy-Density Shear Layers

DOE PAGES

Flippo, K. A.; Doss, F. W.; Kline, J. L.; ...

2016-11-23

While using a large volume high-energy-density fluid shear experiment ( 8.5 cm 3 ) at the National Ignition Facility, we have demonstrated for the first time the ability to significantly alter the evolution of a supersonic sheared mixing layer by controlling the initial conditions of that layer. Furthermore, by altering the initial surface roughness of the tracer foil, we demonstrate the ability to transition the shear mixing layer from a highly ordered system of coherent structures to a randomly ordered system with a faster growing mix layer, indicative of strong mixing in the layer at a temperature of severalmore » tens of electron volts and at near solid density. Moreover, simulations using a turbulent-mix model show good agreement with the experimental results and poor agreement without turbulent mix.« less

Energetics and Birth Rates of Supernova Remnants in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Leahy, D. A.

2017-03-01

Published X-ray emission properties for a sample of 50 supernova remnants (SNRs) in the Large Magellanic Cloud (LMC) are used as input for SNR evolution modeling calculations. The forward shock emission is modeled to obtain the initial explosion energy, age, and circumstellar medium density for each SNR in the sample. The resulting age distribution yields a SNR birthrate of 1/(500 yr) for the LMC. The explosion energy distribution is well fit by a log-normal distribution, with a most-probable explosion energy of 0.5× {10}51 erg, with a 1σ dispersion by a factor of 3 in energy. The circumstellar medium density distribution is broader than the explosion energy distribution, with a most-probable density of ˜0.1 cm-3. The shape of the density distribution can be fit with a log-normal distribution, with incompleteness at high density caused by the shorter evolution times of SNRs.

Prediction of core level binding energies in density functional theory: Rigorous definition of initial and final state contributions and implications on the physical meaning of Kohn-Sham energies.

PubMed

Pueyo Bellafont, Noèlia; Bagus, Paul S; Illas, Francesc

2015-06-07

A systematic study of the N(1s) core level binding energies (BE's) in a broad series of molecules is presented employing Hartree-Fock (HF) and the B3LYP, PBE0, and LC-BPBE density functional theory (DFT) based methods with a near HF basis set. The results show that all these methods give reasonably accurate BE's with B3LYP being slightly better than HF but with both PBE0 and LCBPBE being poorer than HF. A rigorous and general decomposition of core level binding energy values into initial and final state contributions to the BE's is proposed that can be used within either HF or DFT methods. The results show that Koopmans' theorem does not hold for the Kohn-Sham eigenvalues. Consequently, Kohn-Sham orbital energies of core orbitals do not provide estimates of the initial state contribution to core level BE's; hence, they cannot be used to decompose initial and final state contributions to BE's. However, when the initial state contribution to DFT BE's is properly defined, the decompositions of initial and final state contributions given by DFT, with several different functionals, are very similar to those obtained with HF. Furthermore, it is shown that the differences of Kohn-Sham orbital energies taken with respect to a common reference do follow the trend of the properly calculated initial state contributions. These conclusions are especially important for condensed phase systems where our results validate the use of band structure calculations to determine initial state contributions to BE shifts.

U.S. Army CERDEC Field Evaluation and Testing of Soldier and Man-Portable Fuel Cell Power Sources. CERDEC C2D Army Power Division, Power Sources Branch

DTIC Science & Technology

2009-11-19

Energy Density of UltraCell XX25 72 25W Mission Energy Density: 24-hr 230 Whr /kg 72-hr 360 Whr /kg UltraCell XX55 RMFC 0% 5% 10% 15% 20% 25% 30% 0% 25...Weight: 2.7 kg System Efficiency: 26.0 % 55W Mission Energy Density: 24 hr 265 Whr /kg* 72-hr 410 Whr /kg* * Calculated based on initial data only AMIe60...10.25" x 9" x 4" Start Up Time: 15min. System Dry Weight: 2.8 kg System Efficiency: 18.0 % 60W Mission Energy Density: 24 hr 400 Whr /kg 72-hr

Globally optimal superconducting magnets part I: minimum stored energy (MSE) current density map.

PubMed

Tieng, Quang M; Vegh, Viktor; Brereton, Ian M

2009-01-01

An optimal current density map is crucial in magnet design to provide the initial values within search spaces in an optimization process for determining the final coil arrangement of the magnet. A strategy for obtaining globally optimal current density maps for the purpose of designing magnets with coaxial cylindrical coils in which the stored energy is minimized within a constrained domain is outlined. The current density maps obtained utilising the proposed method suggests that peak current densities occur around the perimeter of the magnet domain, where the adjacent peaks have alternating current directions for the most compact designs. As the dimensions of the domain are increased, the current density maps yield traditional magnet designs of positive current alone. These unique current density maps are obtained by minimizing the stored magnetic energy cost function and therefore suggest magnet coil designs of minimal system energy. Current density maps are provided for a number of different domain arrangements to illustrate the flexibility of the method and the quality of the achievable designs.

Antiproton powered propulsion with magnetically confined plasma engines

NASA Technical Reports Server (NTRS)

Lapointe, Michael R.

1989-01-01

Matter-antimatter annihilation releases more energy per unit mass than any other method of energy production, making it an attractive energy source for spacecraft propulsion. In the magnetically confined plasma engine, antiproton beams are injected axially into a pulsed magnetic mirror system, where they annihilate with an initially neutral hydrogen gas. The resulting charged annihilation products transfer energy to the hydrogen propellant, which is then exhausted through one end of the pulsed mirror system to provide thrust. The calculated energy transfer efficiencies for a low number density (10(14)/cu cm) hydrogen propellant are insufficient to warrant operating the engine in this mode. Efficiencies are improved using moderate propellant number densities (10(16)/cu cm), but the energy transferred to the plasma in a realistic magnetic mirror system is generally limited to less than 2 percent of the initial proton-antiproton annihilation energy. The energy transfer efficiencies are highest for high number density (10(18)/cu cm) propellants, but plasma temperatures are reduced by excessive radiation losses. Low to moderate thrust over a wide range of specific impulse can be generated with moderate propellant number densities, while higher thrust but lower specific impulse may be generated using high propellant number densities. Significant mass will be required to shield the superconducting magnet coils from the high energy gamma radiation emitted by neutral pion decay. The mass of such a radiation shield may dominate the total engine mass, and could severely diminish the performance of antiproton powered engines which utilize magnetic confinement. The problem is compounded in the antiproton powered plasma engine, where lower energy plasma bremsstrahlung radiation may cause shield surface ablation and degradation.

Initial solubility & density evaluation of Non-Aqueous system of amino acid salts for CO2 capture: potassium prolinate blended with ethanol and ethylene glycol

NASA Astrophysics Data System (ADS)

Murshid, Ghulam; Garg, Sahil

2018-05-01

Amine scrubbing is the state of the art technology for CO2 capture, and solvent selection can significantly reduce the capital and energy cost of the process. Higher energy requirement for aqueous amine based CO2 removal process is still a most important downside preventive its industrial deployment. Therefore, in this study, novel non-aqueous based amino acid salt system consisting of potassium prolinate, ethanol and ethylene glycol has been studied. This work presents initial CO2 solubility study and important physical properties i.e. density of the studied solvent system. Previous work showed that non-aqueous system of potassium prolinate and ethanol has good absorption rates and requires lower energy for solvent regeneration. However, during regeneration, solvent loss issues were found due to lower boiling point of the ethanol. Therefore, ethylene glycol was added into current studied system for enhancing the overall boiling point of the system. The good initial CO2 solubility and low density of studied solvent system offers several advantages as compared to conventional amine solutions.

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

Gim, Yongwan; Kim, Wontae, E-mail: yongwan89@sogang.ac.kr, E-mail: wtkim@sogang.ac.kr

In warm inflation scenarios, radiation always exists, so that the radiation energy density is also assumed to be finite when inflation starts. To find out the origin of the non-vanishing initial radiation energy density, we revisit thermodynamic analysis for a warm inflation model and then derive an effective Stefan-Boltzmann law which is commensurate with the temperature-dependent effective potential by taking into account the non-vanishing trace of the total energy-momentum tensors. The effective Stefan-Boltzmann law shows that the zero energy density for radiation at the Grand Unification epoch increases until the inflation starts and it becomes eventually finite at the initialmore » stage of warm inflation. By using the above effective Stefan-Boltzmann law, we also study the cosmological scalar perturbation, and obtain the sufficient radiation energy density in order for GUT baryogenesis at the end of inflation.« less

The Initial Flow of Classical Gluon Fields in Heavy Ion Collisions

NASA Astrophysics Data System (ADS)

Fries, Rainer J.; Chen, Guangyao

2015-03-01

Using analytic solutions of the Yang-Mills equations we calculate the initial flow of energy of the classical gluon field created in collisions of large nuclei at high energies. We find radial and elliptic flow which follows gradients in the initial energy density, similar to a simple hydrodynamic behavior. In addition we find a rapidity-odd transverse flow field which implies the presence of angular momentum and should lead to directed flow in final particle spectra. We trace those energy flow terms to transverse fields from the non-abelian generalization of Gauss' Law and Ampere's and Faraday's Laws.

SURFplus Model Calibration for PBX 9502

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

Menikoff, Ralph

2017-12-06

The SURFplus reactive burn model is calibrated for the TATB based explosive PBX 9502 at three initial temperatures; hot (75 C), ambient (23 C) and cold (-55 C). The CJ state depends on the initial temperature due to the variation in the initial density and initial specific energy of the PBX reactants. For the reactants, a porosity model for full density TATB is used. This allows the initial PBX density to be set to its measured value even though the coeffcient of thermal expansion for the TATB and the PBX differ. The PBX products EOS is taken as independent ofmore » the initial PBX state. The initial temperature also affects the sensitivity to shock initiation. The model rate parameters are calibrated to Pop plot data, the failure diameter, the limiting detonation speed just above the failure diameters, and curvature effect data for small curvature.« less

Magnetic dynamo activity in mechanically driven compressible magnetohydrodynamic turbulence

NASA Technical Reports Server (NTRS)

Shebalin, John V.; Montgomery, David

1989-01-01

Magnetic dynamo activity in a homogeneous, dissipative, polytropic, two-dimensional, turbulent magneto-fluid is simulated numerically. The magneto-fluid is simulated numerically. The magneto-fluid is, in a number of cases, mechanically forced so that energy input balances dissipation, thereby maintaining constant energy. In the presence of a mean magnetic field, a magneto-fluid whose initial turbulent magnetic energy is zero quickly arrives at a state of non-zero turbulent magnetic energy. If the mean magnetic field energy density is small, the turbulent magnetic field can achieve a local energy density more than four hundred times larger; if the mean magnetic field energy density is large, then equipartition between the turbulent magnetic and kinetic energy is achieved. Compared to the presence of a mean magnetic field, compressibility appears to have only a marginal effect in mediating the transfer of turbulent kinetic energy into magnetic energy.

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

Vacancy-induced initial decomposition of condensed phase NTO via bimolecular hydrogen transfer mechanisms at high pressure: a DFT-D study.

PubMed

Liu, Zhichao; Wu, Qiong; Zhu, Weihua; Xiao, Heming

2015-04-28

Density functional theory with dispersion-correction (DFT-D) was employed to study the effects of vacancy and pressure on the structure and initial decomposition of crystalline 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (β-NTO), a high-energy insensitive explosive. A comparative analysis of the chemical behaviors of NTO in the ideal bulk crystal and vacancy-containing crystals under applied hydrostatic compression was considered. Our calculated formation energy, vacancy interaction energy, electron density difference, and frontier orbitals reveal that the stability of NTO can be effectively manipulated by changing the molecular environment. Bimolecular hydrogen transfer is suggested to be a potential initial chemical reaction in the vacancy-containing NTO solid at 50 GPa, which is prior to the C-NO2 bond dissociation as its initiation decomposition in the gas phase. The vacancy defects introduced into the ideal bulk NTO crystal can produce a localized site, where the initiation decomposition is preferentially accelerated and then promotes further decompositions. Our results may shed some light on the influence of the molecular environments on the initial pathways in molecular explosives.

High energy density propulsion systems and small engine dynamometer

NASA Astrophysics Data System (ADS)

Hays, Thomas

2009-07-01

Scope and Method of Study. This study investigates all possible methods of powering small unmanned vehicles, provides reasoning for the propulsion system down select, and covers in detail the design and production of a dynamometer to confirm theoretical energy density calculations for small engines. Initial energy density calculations are based upon manufacturer data, pressure vessel theory, and ideal thermodynamic cycle efficiencies. Engine tests are conducted with a braking type dynamometer for constant load energy density tests, and show true energy densities in excess of 1400 WH/lb of fuel. Findings and Conclusions. Theory predicts lithium polymer, the present unmanned system energy storage device of choice, to have much lower energy densities than other conversion energy sources. Small engines designed for efficiency, instead of maximum power, would provide the most advantageous method for powering small unmanned vehicles because these engines have widely variable power output, loss of mass during flight, and generate rotational power directly. Theoretical predictions for the energy density of small engines has been verified through testing. Tested values up to 1400 WH/lb can be seen under proper operating conditions. The implementation of such a high energy density system will require a significant amount of follow-on design work to enable the engines to tolerate the higher temperatures of lean operation. Suggestions are proposed to enable a reliable, small-engine propulsion system in future work. Performance calculations show that a mature system is capable of month long flight times, and unrefueled circumnavigation of the globe.

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas with linear density and temperature ramps

NASA Astrophysics Data System (ADS)

Hashemzadeh, M.

2018-01-01

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas are investigated in the presence of various laser intensities and linear density and temperature ramps. Considering the ponderomotive force and using the momentum transfer and energy equations, the nonlinear electron density is derived. Taking into account the paraxial approximation and nonlinear electron density, a nonlinear differential equation, governing the focusing and defocusing of the laser beam, is obtained. Results show that in the absence of ramps the laser beam is focused between a minimum and a maximum value of laser intensity. For a certain value of laser intensity and initial electron density, the self-focusing process occurs in a temperature range which reaches its maximum at turning point temperature. However, the laser beam is converged in a narrow range for various amounts of initial electron density. It is indicated that the σ2 parameter and its sign can affect the self-focusing process for different values of laser intensity, initial temperature, and initial density. Finally, it is found that although the electron density ramp-down diverges the laser beam, electron density ramp-up improves the self-focusing process.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Optoelectronic switching in diamond and optical surface breakdown

NASA Astrophysics Data System (ADS)

Lipatov, E. I.; Tarasenko, V. F.

2008-03-01

The optoelectronic switching in two natural diamond samples of type 2-A is studied at voltages up to 1000 V and the energy density of control 60-ns, 308-nm laser pulses up to 0.6 J cm-2. It is shown that the design of a diamond switch affects the switching efficiency. When the energy density exceeds 0.2 J cm-2 and the interelectrode surface is completely illuminated, the surface breakdown is initiated by UV radiation, which shunts the current flow through the diamond crystal. When the illumination of the interelectrode surface is excluded, the surface breakdown does not occur. The threshold radiation densities sufficient for initiating the surface breakdown are determined for electric field strengths up to 10 kV cm-1.

Radiation source

DOEpatents

Thode, Lester E.

1981-01-01

A device and method for relativistic electron beam heating of a high-density plasma in a small localized region. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the relativistic electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy into a small localized region of the high-density plasma target.

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

KRASNITZ,A.; VENUGOPALAN,R.

The dynamics of low-x partons in the transverse plane of a high-energy nuclear collision is classical, and therefore admits a fully non-perturbative numerical treatment. The authors report results of a recent study estimating the initial energy density in the central region of a collision. Preliminary estimates of the number of gluons per unit rapidity, and the initial transverse momentum distribution of gluons, are also provided.

Thermo-mechanical characterization of silicone foams

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

Rangaswamy, Partha; Smith, Nickolaus A.; Cady, Carl M.

Cellular solids such as elastomeric foams are used in many structural applications to absorb and dissipate energy, due to their light weight (low density) and high energy absorption capability. In this paper we will discuss foams derived from S5370, a silicone foam formulation developed by Dow Corning. In the application presented, the foam is consolidated into a cushion component of constant thickness but variable density. A mechanical material model developed by Lewis (2013), predicts material response, in part, as a function of relative density. To determine the required parameters for this model we have obtained the mechanical response in compressionmore » for ambient, cold and hot temperatures. The variable density cushion provided samples sufficient samples so that the effect of sample initial density on the mechanical response could be studied. The mechanical response data showed extreme sensitivity to relative density. We also observed at strains corresponding to 1 MPa a linear relationship between strain and initial density for all temperatures. Samples taken from parts with a history of thermal cycling demonstrated a stiffening response that was a function of temperature, with the trend of more stiffness as temperature increased above ambient. This observation is in agreement with the entropic effects on the thermo-mechanical behavior of silicone polymers. In this study, we present the experimental methods necessary for the development of a material model, the testing protocol, analysis of test data, and a discussion of load (stress) and gap (strain) as a function of sample initial densities and temperatures« less

Experimental design to generate strong shear layers in a high-energy-density plasma

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Aglitskiy, Y.; Gillespie, R. S.; Grosskopf, M. J.; Weaver, J. L.; Velikovich, A. L.; Visco, A.; Ditmar, J. R.

2010-06-01

The development of a new experimental system for generating a strong shear flow in a high-energy-density plasma is described in detail. The targets were designed with the goal of producing a diagnosable Kelvin-Helmholtz (KH) instability, which plays an important role in the transition turbulence but remains relatively unexplored in the high-energy-density regime. To generate the shear flow the Nike laser was used to drive a flow of Al plasma over a low-density foam surface with an initial perturbation. The interaction of the Al and foam was captured with a spherical crystal imager using 1.86 keV X-rays. The selection of the individual targets components is discussed and results are presented.

Surface State Density Determines the Energy Level Alignment at Hybrid Perovskite/Electron Acceptors Interfaces.

PubMed

Zu, Fengshuo; Amsalem, Patrick; Ralaiarisoa, Maryline; Schultz, Thorsten; Schlesinger, Raphael; Koch, Norbert

2017-11-29

Substantial variations in the electronic structure and thus possibly conflicting energetics at interfaces between hybrid perovskites and charge transport layers in solar cells have been reported by the research community. In an attempt to unravel the origin of these variations and enable reliable device design, we demonstrate that donor-like surface states stemming from reduced lead (Pb 0 ) directly impact the energy level alignment at perovskite (CH 3 NH 3 PbI 3-x Cl x ) and molecular electron acceptor layer interfaces using photoelectron spectroscopy. When forming the interfaces, it is found that electron transfer from surface states to acceptor molecules occurs, leading to a strong decrease in the density of ionized surface states. As a consequence, for perovskite samples with low surface state density, the initial band bending at the pristine perovskite surface can be flattened upon interface formation. In contrast, for perovskites with a high surface state density, the Fermi level is strongly pinned at the conduction band edge, and only minor changes in surface band bending are observed upon acceptor deposition. Consequently, depending on the initial perovskite surface state density, very different interface energy level alignment situations (variations over 0.5 eV) are demonstrated and rationalized. Our findings help explain the rather dissimilar reported energy levels at interfaces with perovskites, refining our understanding of the operating principles in devices comprising this material.

Initial angular momentum and flow in high energy nuclear collisions

NASA Astrophysics Data System (ADS)

Fries, Rainer J.; Chen, Guangyao; Somanathan, Sidharth

2018-03-01

We study the transfer of angular momentum in high energy nuclear collisions from the colliding nuclei to the region around midrapidity, using the classical approximation of the color glass condensate (CGC) picture. We find that the angular momentum shortly after the collision (up to times ˜1 /Qs , where Qs is the saturation scale) is carried by the "β -type" flow of the initial classical gluon field, introduced by some of us earlier. βi˜μ1∇iμ2-μ2∇iμ1 (i =1 ,2 ) describes the rapidity-odd transverse energy flow and emerges from Gauss's law for gluon fields. Here μ1 and μ2 are the averaged color charge fluctuation densities in the two nuclei, respectively. Interestingly, strong coupling calculations using anti-de Sitter/conformal field theory (AdS/CFT) techniques also find an energy flow term featuring this particular combination of nuclear densities. In classical CGC the order of magnitude of the initial angular momentum per rapidity in the reaction plane, at a time 1 /Qs , is |d L2/d η |≈ RAQs-3ɛ¯0/2 at midrapidity, where RA is the nuclear radius, and ɛ¯0 is the average initial energy density. This result emerges as a cancellation between a vortex of energy flow in the reaction plane aligned with the total angular momentum, and energy shear flow opposed to it. We discuss in detail the process of matching classical Yang-Mills results to fluid dynamics. We will argue that dissipative corrections should not be discarded to ensure that macroscopic conservation laws, e.g., for angular momentum, hold. Viscous fluid dynamics tends to dissipate the shear flow contribution that carries angular momentum in boost-invariant fluid systems. This leads to small residual angular momentum around midrapidity at late times for collisions at high energies.

Late-time mixing and turbulent behavior in high-energy-density shear experiments at high Atwood numbers

DOE PAGES

Flippo, K. A.; Doss, F. W.; Merritt, E. C.; ...

2018-05-30

The LANL Shear Campaign uses millimeter-scale initially solid shock tubes on the National Ignition Facility to conduct high-energy-density hydrodynamic plasma experiments, capable of reaching energy densities exceeding 100 kJ/cm 3. These shock-tube experiments have for the first time reproduced spontaneously emergent coherent structures due to shear-based fluid instabilities [i.e., Kelvin-Helmholtz (KH)], demonstrating hydrodynamic scaling over 8 orders of magnitude in time and velocity. The KH vortices, referred to as “rollers,” and the secondary instabilities, referred to as “ribs,” are used to understand the turbulent kinetic energy contained in the system. Their evolution is used to understand the transition to turbulencemore » and that transition's dependence on initial conditions. Experimental results from these studies are well modeled by the RAGE (Radiation Adaptive Grid Eulerian) hydro-code using the Besnard-Harlow-Rauenzahn turbulent mix model. Information inferred from both the experimental data and the mix model allows us to demonstrate that the specific Turbulent Kinetic Energy (sTKE) in the layer, as calculated from the plan-view structure data, is consistent with the mixing width growth and the RAGE simulations of sTKE.« less

Late-time mixing and turbulent behavior in high-energy-density shear experiments at high Atwood numbers

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

Flippo, K. A.; Doss, F. W.; Merritt, E. C.

The LANL Shear Campaign uses millimeter-scale initially solid shock tubes on the National Ignition Facility to conduct high-energy-density hydrodynamic plasma experiments, capable of reaching energy densities exceeding 100 kJ/cm 3. These shock-tube experiments have for the first time reproduced spontaneously emergent coherent structures due to shear-based fluid instabilities [i.e., Kelvin-Helmholtz (KH)], demonstrating hydrodynamic scaling over 8 orders of magnitude in time and velocity. The KH vortices, referred to as “rollers,” and the secondary instabilities, referred to as “ribs,” are used to understand the turbulent kinetic energy contained in the system. Their evolution is used to understand the transition to turbulencemore » and that transition's dependence on initial conditions. Experimental results from these studies are well modeled by the RAGE (Radiation Adaptive Grid Eulerian) hydro-code using the Besnard-Harlow-Rauenzahn turbulent mix model. Information inferred from both the experimental data and the mix model allows us to demonstrate that the specific Turbulent Kinetic Energy (sTKE) in the layer, as calculated from the plan-view structure data, is consistent with the mixing width growth and the RAGE simulations of sTKE.« less

Device and method for electron beam heating of a high density plasma

DOEpatents

Thode, Lester E.

1981-01-01

A device and method for relativistic electron beam heating of a high density plasma in a small localized region. A relativistic electron beam generator produces a high voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target plasma is ionized prior to application of the electron beam by means of a laser or other preionization source. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high density target plasma causing the relativistic electron beam to efficiently deposit its energy into a small localized region within the high density plasma target.

Effect of initial densities in the lattice Boltzmann model for non-ideal fluid with curved interface

NASA Astrophysics Data System (ADS)

Gong, Jiaming; Oshima, Nobuyuki

2017-06-01

The effect of initial densities in a free energy based two-phase-flow lattice Boltzmann method for non-ideal fluids with a curved interface was investigated in the present work. To investigate this effect, the initial densities in the liquid and gas phases coming from the saturation points and the equilibrium state were adopted in the simulation of a static droplet in an open and a closed system. For the purpose of simplicity and easier comparison, the closed system is fabricated by the implementation of the periodic boundary condition at the inlet and outlet of a gas channel, and the open system is fabricated by the implementation of a constant flux boundary condition at the inlet and a free-out boundary condition at the outlet of the same gas channel. By comparing the simulation results from the two types of initial densities in the open and closed systems, it is proven that the commonly used saturation initial densities setting is the reason for droplet mass and volume variation which occurred in the simulation, particularly in the open system with a constant flux boundary condition. Such problems are believed to come from the curvature effect of the surface tension and can be greatly reduced by adopting the initial densities in the two phases from equilibrium state.

Elliptic flow from Coulomb interaction and low density elastic scattering

NASA Astrophysics Data System (ADS)

Sun, Yuliang; Li, Qingfeng; Wang, Fuqiang

2018-04-01

In high energy heavy ion collisions and interacting cold atom systems, large elliptic flow anisotropies have been observed. For the large opacity (ρ σ L ˜103 ) of the latter hydrodynamics is a natural consequence, but for the small opacity (ρ σ L ˜1 ) of the former the hydrodynamic description is questionable. To shed light onto the situation, we simulate the expansion of a low density argon ion (or atom) system, initially trapped in an elliptical region, under the Coulomb interaction (or elastic scattering). Significant elliptic anisotropy is found in both cases, and the anisotropy depends on the initial spatial eccentricity and the density of the system. The results may provide insights into the physics of anisotropic flow in high energy heavy ion collisions and its role in the study of quantum chromodynamics.

Modifying mixing and instability growth through the adjustment of initial conditions in a high-energy-density counter-propagating shear experiment on OMEGA

DOE PAGES

Merritt, E. C.; Doss, F. W.; Loomis, E. N.; ...

2015-06-24

Counter-propagating shear experiments conducted at the OMEGA Laser Facility have been evaluating the effect of target initial conditions, specifically the characteristics of a tracer foil located at the shear boundary, on Kelvin-Helmholtz instability evolution and experiment transition toward nonlinearity and turbulence in the high-energy-density (HED) regime. Experiments are focused on both identifying and uncoupling the dependence of the model initial turbulent length scale in variable-density turbulence models of k-ϵ type on competing physical instability seed lengths as well as developing a path toward fully developed turbulent HED experiments. We present results from a series of experiments controllably and independently varyingmore » two initial types of scale lengths in the experiment: the thickness and surface roughness (surface perturbation scale spectrum) of a tracer layer at the shear interface. We show that decreasing the layer thickness and increasing the surface roughness both have the ability to increase the relative mixing in the system, and thus theoretically decrease the time required to begin transitioning to turbulence in the system. In addition, we also show that we can connect a change in observed mix width growth due to increased foil surface roughness to an analytically predicted change in model initial turbulent scale lengths.« less

Aerosol-induced laser breakdown thresholds - Effect of resonant particles

NASA Technical Reports Server (NTRS)

Pinnick, R. G.; Biswas, A.; Pendleton, J. D.; Armstrong, R. L.

1992-01-01

Laser intensity thresholds for the onset of stimulated Raman scattering and the breakdown in resonant micron-sized droplets are reduced to below those for nonresonant droplets by a factor of about 3. This reduction is most likely caused by the enhancement of electromagnetic energy (photon) densities within the droplets over and above that in nonresonant droplets. The magnitude of the threshold reduction for breakdown is consistent with the assertion that: (1) input (pump) wavelength resonances that initiate plasma have cavity Qs of about 10 exp 4; and (2) finite regions of high-electromagnetic-energy density within the droplet, with dimensions of the order of the Debye length, are required to initiate plasma.

Wavelength dependence of nanosecond infrared laser-induced breakdown in water: Evidence for multiphoton initiation via an intermediate state

NASA Astrophysics Data System (ADS)

Linz, Norbert; Freidank, Sebastian; Liang, Xiao-Xuan; Vogelmann, Hannes; Trickl, Thomas; Vogel, Alfred

2015-04-01

Investigation of the wavelength dependence (725-1025 nm) of the threshold for nanosecond optical breakdown in water revealed steps consistent with breakdown initiation by multiphoton ionization, with an initiation energy of about 6.6 eV. This value is considerably smaller than the autoionization threshold of about 9.5 eV, which can be regarded as band gap relevant for avalanche ionization. Breakdown initiation is likely to occur via excitation of a valence band electron into a solvated state, followed by rapid excitation into the conduction band. Theoretical analysis based on these assumptions suggests that the seed electron density required for initiating avalanche ionization amounts to 2.5 ×1015c m-3 at 725 nm and drops to 1.1 ×1012c m-3 at 1025 nm. These results demand changes of future breakdown modeling for water, including the use of a larger band gap than previously employed, the introduction of an intermediate energy level for initiation, and consideration of the wavelength dependence of seed electron density.

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

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

Zhang, Y., E-mail: thuzhangyu@foxmail.com; Huang, S. L., E-mail: huangsling@tsinghua.edu.cn; Wang, S.

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 formore » 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.« less

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

PubMed

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 <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.

Hot spot formation and stagnation properties in simulations of direct-drive NIF implosions

NASA Astrophysics Data System (ADS)

Schmitt, Andrew J.; Obenschain, Stephen P.

2016-05-01

We investigate different proposed methods of increasing the hot spot energy and radius in inertial confinement fusion implosions. In particular, shock mistiming (preferentially heating the inner edge of the target's fuel) and increasing the initial vapor gas density are investigated as possible control mechanisms. We find that only the latter is effective in substantially increasing the hot spot energy and dimensions while achieving ignition. In all cases an increase in the hot spot energy is accompanied by a decrease in the hot spot energy density (pressure) and both the yield and the gain of the target drop substantially. 2D simulations of increased vapor density targets predict an increase in the robustness of the target with respect to surface perturbations but are accompanied by significant yield degradation.

Device and method for relativistic electron beam heating of a high-density plasma to drive fast liners

DOEpatents

Thode, Lester E.

1981-01-01

A device and method for relativistic electron beam heating of a high-density plasma in a small localized region. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy and momentum into a small localized region of the high-density plasma target. Fast liners disposed in the high-density target plasma are explosively or ablatively driven to implosion by a heated annular plasma surrounding the fast liner which is generated by an annular relativistic electron beam. An azimuthal magnetic field produced by axial current flow in the annular plasma, causes the energy in the heated annular plasma to converge on the fast liner.

Global low-energy weak solution and large-time behavior for the compressible flow of liquid crystals

NASA Astrophysics Data System (ADS)

Wu, Guochun; Tan, Zhong

2018-06-01

In this paper, we consider the weak solution of the simplified Ericksen-Leslie system modeling compressible nematic liquid crystal flows in R3. When the initial data are of small energy and initial density is positive and essentially bounded, we prove the existence of a global weak solution in R3. The large-time behavior of a global weak solution is also established.

Event-by-event distribution of the ratio of magnetic field energy to initial fluid energy density in √{sN N}=200 GeV Au-Au collisions

NASA Astrophysics Data System (ADS)

Roy, Victor; Pu, Shi

2015-12-01

We estimate the event-by-event (e-by-e) distribution of the ratio (σ ) of the magnetic and electric field energy density to the fluid energy density in the transverse plane of Au-Au collisions at √{sN N}=200 GeV. A Monte Carlo (MC) Glauber model is used to calculate σ in the transverse plane for impact parameter b =0 , 12 fm at time τi˜0.5 fm. The fluid energy density is obtained by using Gaussian smoothing with two different smoothing parameter σg=0.25 , 0.5 fm. For b =0 fm collisions σ is found to be ≪1 in the central region of the fireball and σ ≳1 at the periphery. For b =12 fm collisions σ ≳1 is observed for some events. The e-by-e correlation between σ and the fluid energy density (ɛ ) is studied. We did not find strong correlation between σ and ɛ at the center of the fireball, whereas they are mostly anticorrelated at the periphery of the fireball.

The effect of sensory-nutrient congruency on food intake after repeated exposure: do texture and/or energy density matter?

PubMed

Hogenkamp, P S

2014-09-01

Sensory properties guide the amount that people eat. In particular, food texture plays an important role in a food's 'expected satiation', which in turn affects the food-related decision making process. One hypothesis is that incongruent pairing of a textural cue with a post-ingestive outcome compromises this process, leading to poor energy compensation. Several studies examined the effect of both energy density and sensory characteristics (i.e. increased creaminess and thickness) on expectations, subjective appetite and food intake. To add to this literature, a re-analysis of data assessed whether the effect of sensory-nutrient pairings on energy intake compensation persisted after repeated exposure to a food. In this cross-over design, 27 participants consumed two preloads with 'congruent' (low-energy/liquid; high-energy/semi-solid) and two preloads with 'incongruent' (low-energy/semi-solid; high-energy/liquid) texture-nutrient combinations for nine subsequent meals, during which ad libitum intake was measured. Intake at first exposure did not differ between the low-energy (280±150kcal) and high-energy preloads (292±183kcal) in the incongruent conditions. By contrast, it was greater after the low-energy (332±203kcal) than after the high-energy (236±132kcal) preload in the congruent conditions (energy∗incongruent/congruent, p=0.04). Post-exposure, this pattern changed: intake depended on the energy density of the preloads in all conditions, and was greater after low-energy preloads (day∗energy∗incongruent/congruent-interaction for breakfast: p=0.02). Thus, manipulating the sensory properties of a food influenced energy compensation and meal size, but only at initial exposure. Repeated exposure 'corrected' the initial lack of compensation observed in conditions with incongruent sensory-nutrient pairings. Copyright © 2014 Elsevier Inc. All rights reserved.

Shock Initiation Experiments with Ignition and Growth Modeling on the HMX-Based Explosive LX-14

NASA Astrophysics Data System (ADS)

Vandersall, Kevin S.; Dehaven, Martin R.; Strickland, Shawn L.; Tarver, Craig M.; Springer, H. Keo; Cowan, Matt R.

2017-06-01

Shock initiation experiments on the HMX-based explosive LX-14 were performed to obtain in-situ pressure gauge data, characterize the run-distance-to-detonation behavior, and provide a basis for Ignition and Growth reactive flow modeling. A 101 mm diameter gas gun was utilized to initiate the explosive charges with manganin piezoresistive pressure gauge packages placed between sample disks pressed to different densities ( 1.57 or 1.83 g/cm3 that corresponds to 85 or 99% of theoretical maximum density (TMD), respectively). The shock sensitivity was found to increase with decreasing density as expected. Ignition and Growth model parameters were derived that yielded reasonable agreement with the experimental data at both initial densities. The shock sensitivity at the tested densities will be compared to prior work published on other HMX-based formulations. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work was funded in part by the Joint DoD-DOE Munitions Program.

The deformation and failure response of closed-cell PMDI foams subjected to dynamic impact loading

DOE PAGES

Koohbor, Behrad; Mallon, Silas; Kidane, Addis; ...

2015-04-07

The present work aims to investigate the bulk deformation and failure response of closed-cell Polymeric Methylene Diphenyl Diisocyanate (PMDI) foams subjected to dynamic impact loading. First, foam specimens of different initial densities are examined and characterized in quasi-static loading conditions, where the deformation behavior of the samples is quantified in terms of the compressive elastic modulus and effective plastic Poisson's ratio. Then, the deformation response of the foam specimens subjected to direct impact loading is examined by taking into account the effects of material compressibility and inertia stresses developed during deformation, using high speed imaging in conjunction with 3D digitalmore » image correlation. The stress-strain response and the energy absorption as a function of strain rate and initial density are presented and the bulk failure mechanisms are discussed. As a result, it is observed that the initial density of the foam and the applied strain rates have a substantial influence on the strength, bulk failure mechanism and the energy dissipation characteristics of the foam specimens.« less

Early-time dynamics of gluon fields in high energy nuclear collisions

NASA Astrophysics Data System (ADS)

Chen, Guangyao; Fries, Rainer J.; Kapusta, Joseph I.; Li, Yang

2015-12-01

Nuclei colliding at very high energy create a strong, quasiclassical gluon field during the initial phase of their interaction. We present an analytic calculation of the initial space-time evolution of this field in the limit of very high energies using a formal recursive solution of the Yang-Mills equations. We provide analytic expressions for the initial chromoelectric and chromomagnetic fields and for their energy-momentum tensor. In particular, we discuss event-averaged results for energy density and energy flow as well as for longitudinal and transverse pressure of this system. For example, we find that the ratio of longitudinal to transverse pressure very early in the system behaves as pL/pT=-[1 -3/2 a (Qτ ) 2] /[1 -1/a (Qτ ) 2] +O (Qτ ) 4 , where τ is the longitudinal proper time, Q is related to the saturation scales Qs of the two nuclei, and a =ln(Q2/m̂2) with m ̂ a scale to be defined later. Our results are generally applicable if τ ≲1 /Q . As already discussed in a previous paper, the transverse energy flow Si of the gluon field exhibits hydrodynamiclike contributions that follow transverse gradients of the energy density ∇iɛ . In addition, a rapidity-odd energy flow also emerges from the non-Abelian analog of Gauss' law and generates nonvanishing angular momentum of the field. We discuss the space-time picture that emerges from our analysis and its implications for observables in heavy-ion collisions.

Power and energy of exploding wires

DOE PAGES

Valancius, Cole J.; Garasi, Christopher J.; O?Malley, Patrick D.

2017-01-01

Exploding wires are used in many high-energy applications, such as initiating explosives. Previous work analyzing gold wire burst in detonator applications has shown burst current and action metrics to be inconsistent with burst phenomenon across multiple firing-sets. Energy density better captures the correlation between different wire geometries, different electrical inputs, and explosive initiation. This idea has been expanded upon, to analyze the burst properties in power-energy space. Further inconsistencies in the understanding of wire burst and its relation to peak voltage have been found. An argument will be made for redefining the definition of burst. The result is a moremore » broad understanding of rapid metal phase transition and the initiation of explosives in EBW applications.« less

Power and energy of exploding wires

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

Valancius, Cole J.; Garasi, Christopher J.; O?Malley, Patrick D.

Exploding wires are used in many high-energy applications, such as initiating explosives. Previous work analyzing gold wire burst in detonator applications has shown burst current and action metrics to be inconsistent with burst phenomenon across multiple firing-sets. Energy density better captures the correlation between different wire geometries, different electrical inputs, and explosive initiation. This idea has been expanded upon, to analyze the burst properties in power-energy space. Further inconsistencies in the understanding of wire burst and its relation to peak voltage have been found. An argument will be made for redefining the definition of burst. The result is a moremore » broad understanding of rapid metal phase transition and the initiation of explosives in EBW applications.« less

Sn ion energy distributions of ns- and ps-laser produced plasmas

NASA Astrophysics Data System (ADS)

Bayerle, A.; Deuzeman, M. J.; van der Heijden, S.; Kurilovich, D.; de Faria Pinto, T.; Stodolna, A.; Witte, S.; Eikema, K. S. E.; Ubachs, W.; Hoekstra, R.; Versolato, O. O.

2018-04-01

Ion energy distributions arising from laser-produced plasmas of Sn are measured over a wide laser parameter space. Planar-solid and liquid-droplet targets are exposed to infrared laser pulses with energy densities between 1 J cm‑2 and 4 kJ cm‑2 and durations spanning 0.5 ps to 6 ns. The measured ion energy distributions are compared to two self-similar solutions of a hydrodynamic approach assuming isothermal expansion of the plasma plume into vacuum. For planar and droplet targets exposed to ps-long pulses, we find good agreement between the experimental results and the self-similar solution of a semi-infinite simple planar plasma configuration with an exponential density profile. The ion energy distributions resulting from solid Sn exposed to ns-pulses agrees with solutions of a limited-mass model that assumes a Gaussian-shaped initial density profile.

Behavior of pentacene initial nucleation on various dielectrics and its effect on carrier transport in organic field-effect transistor.

PubMed

Qi, Qiong; Yu, Aifang; Wang, Liangmin; Jiang, Chao

2010-11-01

The influence of dielectric surface energy on the initial nucleation and the growth of pentacene films as well as the electrical properties of the pentacene-based field-effect transistors are investigated. We have examined a range of organic and inorganic dielectrics with different surface energies, such as polycarbonate/SiO2, polystyrene/SiO2, and PMMA/SiO2 bi-layered dielectrics and also the bare SiO2 dielectric. Atomic force microscopy measurements of sub-monolayer and thick pentacene films indicated that the growth of pentacene film was in Stranski-Kranstanow growth mode on all the dielectrics. However, the initial nucleation density and the size of the first-layered pentacene islands deposited on different dielectrics are drastically influenced by the dielectric surface energy. With the increasing of the surface energy, the nucleation density increased and thus the average size of pentacene islands for the first mono-layer deposition decreased. The performance of fabricated pentacene-based thin film transistors was found to be highly related to nucleation density and the island size of deposited Pentacene film, and it had no relationship to the final particle size of the thick pentacene film. The field effect mobility of the thin film transistor could be achieved as high as 1.38 cm2Ns with on/off ratio over 3 x 10(7) on the PS/SiO2 where the lowest surface energy existed among all the dielectrics. For comparison, the values of mobility and on/off ratio were 0.42 cm2Ns and 1 x 10(6) for thin film transistor deposited directly on bare SiO2 having the highest surface energy.

Information loss in effective field theory: Entanglement and thermal entropies

NASA Astrophysics Data System (ADS)

Boyanovsky, Daniel

2018-03-01

Integrating out high energy degrees of freedom to yield a low energy effective field theory leads to a loss of information with a concomitant increase in entropy. We obtain the effective field theory of a light scalar field interacting with heavy fields after tracing out the heavy degrees of freedom from the time evolved density matrix. The initial density matrix describes the light field in its ground state and the heavy fields in equilibrium at a common temperature T . For T =0 , we obtain the reduced density matrix in a perturbative expansion; it reveals an emergent mixed state as a consequence of the entanglement between light and heavy fields. We obtain the effective action that determines the time evolution of the reduced density matrix for the light field in a nonperturbative Dyson resummation of one-loop correlations of the heavy fields. The Von-Neumann entanglement entropy associated with the reduced density matrix is obtained for the nonresonant and resonant cases in the asymptotic long time limit. In the nonresonant case the reduced density matrix displays an incipient thermalization albeit with a wave-vector, time and coupling dependent effective temperature as a consequence of memory of initial conditions. The entanglement entropy is time independent and is the thermal entropy for this effective, nonequilibrium temperature. In the resonant case the light field fully thermalizes with the heavy fields, the reduced density matrix loses memory of the initial conditions and the entanglement entropy becomes the thermal entropy of the light field. We discuss the relation between the entanglement entropy ultraviolet divergences and renormalization.

Effects of random initial conditions on the dynamical scaling behaviors of a fixed-energy Manna sandpile model in one dimension

NASA Astrophysics Data System (ADS)

Kwon, Sungchul; Kim, Jin Min

2015-01-01

For a fixed-energy (FE) Manna sandpile model in one dimension, we investigate the effects of random initial conditions on the dynamical scaling behavior of an order parameter. In the FE Manna model, the density ρ of total particles is conserved, and an absorbing phase transition occurs at ρc as ρ varies. In this work, we show that, for a given ρ , random initial distributions of particles lead to the domain structure in which domains with particle densities higher and lower than ρc alternate with each other. In the domain structure, the dominant length scale is the average domain length, which increases via the coalescence of adjacent domains. At ρc, the domain structure slows down the decay of an order parameter and also causes anomalous finite-size effects, i.e., power-law decay followed by an exponential one before the quasisteady state. As a result, the interplay of particle conservation and random initial conditions causes the domain structure, which is the origin of the anomalous dynamical scaling behaviors for random initial conditions.

Device and method for imploding a microsphere with a fast liner

DOEpatents

Thode, Lester E.

1981-01-01

A device and method for relativistic electron beam heating of a high-density plasma in a small localized region. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy and momentum into a small localized region of the high-density plasma target. Fast liners disposed in the high-density target plasma are explosively or ablatively driven to implosion by a heated annular plasma surrounding the fast liner generated by an annular relativistic electron beam. An azimuthal magnetic field produced by axial current flow in the annular plasma, causes the energy in the heated annular plasma to converge on the fast liner to drive the fast liner to implode a microsphere.

Substrate Engineered Interconnected Graphene Electrodes with Ultrahigh Energy and Power Densities for Energy Storage Applications.

PubMed

Chaichi, Ardalan; Wang, Ying; Gartia, Manas Ranjan

2018-06-27

Supercapacitors combine the advantages of electrochemical storage technologies such as high energy density batteries and high power density capacitors. At 5-10 W h kg -1 , the energy densities of current supercapacitors are still significantly lower than the energy densities of lead acid (20-35 W h kg -1 ), Ni-metal hydride (40-100 W h kg -1 ), and Li-ion (120-170 W h kg -1 ) batteries. Recently, graphene-based supercapacitors have shown an energy density of 40-80 W h kg -1 . However, their performance is mainly limited because of the reversible agglomeration and restacking of individual graphene layers caused by π-π interactions. The restacking of graphene layers leads to significant decrease of ion-accessible surface area and the low capacitance of graphene-based supercapacitors. Here, we introduce a microstructure substrate-based method to produce a fully delaminated and stable interconnected graphene structure using flash reduction of graphene oxide in a few seconds. With this structure, we achieve the highest amount of volumetric capacitance obtained so far by any type of a pure carbon-based material. The affordable and scalable production method is capable of producing electrodes with an energy density of 0.37 W h cm -3 and a power density of 416.6 W cm -3 . This electrode maintained more than 91% of its initial capacitance after 5000 cycles. Moreover, combining with ionic liquid, this solvent-free graphene electrode material is highly promising for on-chip electronics, micro-supercapacitors, as well as high-power applications.

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

Horn, Paul R., E-mail: prhorn@berkeley.edu; Mao, Yuezhi; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu

In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms formore » test cases that include the neon dimer, ammonia borane, water-Na{sup +}, water-Cl{sup −}, and the naphthalene dimer.« less

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

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

Parametric and energy consumption optimization of Basic Red 2 removal by electrocoagulation/egg shell adsorption coupling using response surface methodology in a batch system.

PubMed

de Carvalho, Helder Pereira; Huang, Jiguo; Zhao, Meixia; Liu, Gang; Yang, Xinyu; Dong, Lili; Liu, Xingjuan

2016-01-01

In this study, response surface methodology (RSM) model was applied for optimization of Basic Red 2 (BR2) removal using electrocoagulation/eggshell (ES) coupling process in a batch system. Central composite design was used to evaluate the effects and interactions of process parameters including current density, reaction time, initial pH and ES dosage on the BR2 removal efficiency and energy consumption. The analysis of variance revealed high R(2) values (≥85%) indicating that the predictions of RSM models are adequately applicable for both responses. The optimum conditions when the dye removal efficiency of 93.18% and energy consumption of 0.840 kWh/kg were observed were 11.40 mA/cm(2) current density, 5 min and 3 s reaction time, 6.5 initial pH and 10.91 g/L ES dosage.

Proton cooling in ultracold low-density electron gas

NASA Astrophysics Data System (ADS)

Bobrov, A. A.; Bronin, S. Y.; Manykin, E. A.; Zelener, B. B.; Zelener, B. V.; Khikhlukha, D. R.

2015-11-01

A sole proton energy loss processes in an electron gas and the dependence of these processes on temperature and magnetic field are studied using molecular dynamics techniques in present work. It appears that for electron temperatures less than 100 K many body collisions affect the proton energy loss and these collisions must be taken into account. The influence of a strong magnetic field on the relaxation processes is also considered in this work. Calculations were performed for electron densities 10 cm-3, magnetic field 1-3 Tesla, electron temperatures 10-50 K, initial proton energies 100-10000 K.

Determination of remodeling parameters for a strain-adaptive finite element model of the distal ulna.

PubMed

Neuert, Mark A C; Dunning, Cynthia E

2013-09-01

Strain energy-based adaptive material models are used to predict bone resorption resulting from stress shielding induced by prosthetic joint implants. Generally, such models are governed by two key parameters: a homeostatic strain-energy state (K) and a threshold deviation from this state required to initiate bone reformation (s). A refinement procedure has been performed to estimate these parameters in the femur and glenoid; this study investigates the specific influences of these parameters on resulting density distributions in the distal ulna. A finite element model of a human ulna was created using micro-computed tomography (µCT) data, initialized to a homogeneous density distribution, and subjected to approximate in vivo loading. Values for K and s were tested, and the resulting steady-state density distribution compared with values derived from µCT images. The sensitivity of these parameters to initial conditions was examined by altering the initial homogeneous density value. The refined model parameters selected were then applied to six additional human ulnae to determine their performance across individuals. Model accuracy using the refined parameters was found to be comparable with that found in previous studies of the glenoid and femur, and gross bone structures, such as the cortical shell and medullary canal, were reproduced. The model was found to be insensitive to initial conditions; however, a fair degree of variation was observed between the six specimens. This work represents an important contribution to the study of changes in load transfer in the distal ulna following the implementation of commercial orthopedic implants.

Guaiacol hydrodeoxygenation mechanism on Pt(111): Insights from density functional theory and linear free energy relations

USDA-ARS?s Scientific Manuscript database

In this study density functional theory (DFT) was used to study the adsorption of guaiacol and its initial hydrodeoxygenation (HDO) reactions on Pt(111). Previously reported Brønsted–Evans–Polanyi (BEP) correlations for small open chain molecules are found to be inadequate in estimating the reaction...

The role of the attractive and the repulsive interactions in the nonpolar solvation dynamics in simple fluids from the gas-like to the liquid-like densities

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Kimura, Y.; Hirota, N.

1999-09-01

We have performed molecular dynamics (MD) simulations of the nonpolar solvation dynamics in simple fluids composed of particles interacting through the Lennard-Jones (LJ) 12-6 potential or its repulsive part. The attractive or the repulsive part of the solute-solvent interaction is assumed to change on the excitation of a solute. We have followed the transition energy fluctuation of the solute by the equilibrium simulation. The division of the LJ potential followed the method of WCA [J. W. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)]. We have surveyed over a wide solvent density region from gas-like to liquid-like densities at the constant temperature. When the attractive part changes, the relaxation becomes faster with an increase of the solvent density. This result contradicts with previous theories that treat the nonpolar solvation dynamics in terms of the diffusion of solvent particles. The time scale of the initial part of the relaxation is well correlated with the static fluctuation divided by the static average, which suggests the importance of the curvature of the free energy surface in the initial part of the solvation. When the repulsive part changes, the initial part of the relaxation is almost density independent, determined by the binary motion between solute and solvent. It is consistent with the result that the static fluctuation is almost proportional to the static average, which indicates the absence of the static correlation between solvent particles. On the other hand, the solvation correlation function shows rather complicated density dependence at the longer time scale. In the case of the binary mixture solvent, the relaxation time is inversely proportional to the diffusion coefficient. On the basis of the nonpolar solvation dynamics, the validity of the isolated binary collision model for the vibrational energy relaxation is also discussed, and the recent hydrodynamic theory on the vibrational energy relaxation [B. J. Cherayil and M. D. Feyer, J. Chem. Phys. 107, 7642 (1997)] is critically examined.

Maximum initial growth-rate of strong-shock-driven Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Abarzhi, Snezhana I.; Bhowmich, Aklant K.; Dell, Zachary R.; Pandian, Arun; Stanic, Milos; Stellingwerf, Robert F.; Swisher, Nora C.

2017-10-01

We focus on classical problem of dependence on the initial conditions of the initial growth-rate of strong shocks driven Richtmyer-Meshkov instability (RMI) by developing a novel empirical model and by employing rigorous theories and Smoothed Particle Hydrodynamics (SPH) simulations to describe the simulations data with statistical confidence in a broad parameter regime. For given values of the shock strength, fluids' density ratio, and wavelength of the initial perturbation of the fluid interface, we find the maximum value of RMI initial growth-rate, the corresponding amplitude scale of the initial perturbation, and the maximum fraction of interfacial energy. This amplitude scale is independent of the shock strength and density ratio, and is characteristic quantity of RMI dynamics. We discover the exponential decay of the ratio of the initial and linear growth-rates of RMI with the initial perturbation amplitude that excellently agrees with available data. National Science Foundation, USA.

Maximum initial growth-rate of strong-shock-driven Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Abarzhi, Snezhana I.; Bhowmich, Aklant K.; Dell, Zachary R.; Pandian, Arun; Stanic, Milos; Stellingwerf, Robert F.; Swisher, Nora C.

2017-11-01

We focus on classical problem of dependence on the initial conditions of the initial growth-rate of strong shocks driven Richtmyer-Meshkov instability (RMI) by developing a novel empirical model and by employing rigorous theories and Smoothed Particle Hydrodynamics (SPH) simulations to describe the simulations data with statistical confidence in a broad parameter regime. For given values of the shock strength, fluids' density ratio, and wavelength of the initial perturbation of the fluid interface, we find the maximum value of RMI initial growth-rate, the corresponding amplitude scale of the initial perturbation, and the maximum fraction of interfacial energy. This amplitude scale is independent of the shock strength and density ratio, and is characteristic quantity of RMI dynamics. We discover the exponential decay of the ratio of the initial and linear growth-rates of RMI with the initial perturbation amplitude that excellently agrees with available data. National Science Foundation, USA.

Effect of some operational parameters on the arsenic removal by electrocoagulation using iron electrodes

PubMed Central

2014-01-01

Arsenic contamination of drinking water is a global problem that will likely become more apparent in future years as scientists and engineers measure the true extent of the problem. Arsenic poisoning is preventable though as there are several methods for easily removing even trace amounts of arsenic from drinking water. In the present study, electrocoagulation was evaluated as a treatment technology for arsenic removal from aqueous solutions. The effects of parameters such as initial pH, current density, initial concentration, supporting electrolyte type and stirring speed on removal efficiency were investigated. It has been observed that initial pH was highly effective on the arsenic removal efficiency. The highest removal efficiency was observed at initial pH = 4. The obtained experimental results showed that the efficiency of arsenic removal increased with increasing current density and decreased with increasing arsenic concentration in the solution. Supporting electrolyte had not significant effects on removal, adding supporting electrolyte decreased energy consumption. The effect of stirring speed on removal efficiency was investigated and the best removal efficiency was at the 150 rpm. Under the optimum conditions of initial pH 4, current density of 0.54 mA/cm2, stirring speed of 150 rpm, electrolysis time of 30 minutes, removal was obtained as 99.50%. Energy consumption in the above conditions was calculated as 0.33 kWh/m3. Electrocoagulation with iron electrodes was able to bring down 50 mg/L arsenic concentration to less than 10 μg/L at the end of electrolysis time of 45 minutes with low electrical energy consumption as 0.52 kWh/m3. PMID:24991426

Measurements of copper ground-state and metastable level population densities in a copper-chloride laser

NASA Technical Reports Server (NTRS)

Nerheim, N. M.

1977-01-01

The population densities of both the ground and the 2D(5/2) metastable states of copper atoms in a double-pulsed copper-chloride laser are correlated with laser energy as a function of time after the dissociation current pulse. Time-resolved density variations of the ground and excited copper atoms were derived from measurements of optical absorption at 324.7 and 510.6 nm, respectively, over a wide range of operating conditions in laser tubes with diameters of 4 to 40 mm. The minimum delay between the two current pulses at which lasing was observed is shown to be a function of the initial density and subsequent decay of the metastable state. Similarly, the maximum delay is shown to be a function of the initial density and decay of the ground state.

Parametric resonance energy exchange and induction phenomenon in a one-dimensional nonlinear oscillator chain

NASA Astrophysics Data System (ADS)

Yoshimura, K.

2000-11-01

We study analytically the induction phenomenon in the Fermi-Pasta-Ulam β oscillator chain under initial conditions consisting of single mode excitation. Our study is based on the analytical computation of the largest characteristic exponent of an approximate version of the variational equation. The main results can be summarized as follows: (1) the energy density ɛ scaling of the induction time T is given by T~ɛ-1, and T becomes smaller for higher-frequency mode excitation; (2) there is a threshold energy density ɛc such that the induction time diverges when ɛ<ɛc=π2/6βN2, where N is the system size and β the nonlinearity parameter, and this expression for ɛc is correct in the limit N-->∞ (3) the threshold ɛc vanishes as ɛc~N-2 in the limit N-->∞ (4) the threshold ɛc does not depend on the mode number k that is excited in the initial condition; (5) the two modes k+/-m have the largest exponential growth rate, and m increases with increasing ɛ as m/N=3βɛ/π. The above analytical results are thoroughly verified in numerical experiments. Moreover, we discuss the energy exchange process after the induction period in some energy density regimes, based on the numerical results.

An asymmetric supercapacitor with ultrahigh energy density based on nickle cobalt sulfide nanocluster anchoring multi-wall carbon nanotubes hybrid

NASA Astrophysics Data System (ADS)

Wen, Ping; Fan, Mingjin; Yang, Desuo; Wang, Yan; Cheng, Hualei; Wang, Jinqing

2016-07-01

The development of novel electrode materials with high energy density and long cycling life is critical to realize electrochemical capacitive energy storage for practical applications. In this paper, the hybrids of nickle cobalt sulfide/multi-wall carbon nanotubes (NiCo2S4/MWCNTs) with different contents of MWCNTs are prepared using a facile one-pot solvothermal reaction. As novel active materials for supercapacitors, the electrochemistry tests show that the hybrid of NiCo2S4/MWCNTs-5 is able to deliver a high specific capacitance of 2080 F g-1 at the current density of 1 A g-1, even superior rate capability of 61% capacitance retention after a 20-fold increase in current densities, when the content of MWCNTs is up to 5%. More importantly, an asymmetric supercapacitor assembled by NiCo2S4/MWCNTs-5 as positive electrode and reduced graphene oxide (rGO) as negative electrode delivers a high energy density of 51.8 Wh Kg-1 at a power density of 865 W kg-1, and 85.7% of its initial capacitance is retained at the current density of 4 A g-1 after 5000 charge-discharge cycles, exhibiting potential prospect for practical applications.

The channel radius and energy of cloud-to-ground lightning discharge plasma with multiple return strokes

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

Wang, Xuejuan; Yuan, Ping; Cen, Jianyong

2014-03-15

Using the spectra of a cloud-to-ground (CG) lightning flash with multiple return strokes and combining with the synchronous radiated electrical field information, the linear charge density, the channel radius, the energy per unit length, the thermal energy, and the energy of dissociation and ionization in discharge channel are calculated with the aid of an electrodynamic model of lightning. The conclusion that the initial radius of discharge channel is determined by the duration of the discharge current is confirmed. Moreover, the correlativity of several parameters has been analyzed first. The results indicate that the total intensity of spectra is positive correlatedmore » to the channel initial radius. The ionization and thermal energies have a linear relationship, and the dissociation energy is correlated positively to the ionization and thermal energies, the energy per unit length is in direct proportion to the square of initial radius in different strokes of one CG lightning.« less

The energy cost of quantum information losses

NASA Astrophysics Data System (ADS)

Romanelli, Alejandro; de Lima Marquezino, Franklin; Portugal, Renato; Donangelo, Raul

2018-05-01

We explore the energy cost of the information loss resulting from the passage of an initial density operator to a reduced one. We use the concept of entanglement temperature in order to obtain a lower bound for the energy change associated with this operation. We determine the minimal energy required for the case of the information losses associated with the trace over the space coordinates of a two-dimensional quantum walk.

Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers

NASA Astrophysics Data System (ADS)

Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

2018-02-01

A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p_t dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers.

PubMed

Bury, Marcin; van Hameren, Andreas; Jung, Hannes; Kutak, Krzysztof; Sapeta, Sebastian; Serino, Mirko

2018-01-01

A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high [Formula: see text] dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization.

Three-dimensional Mesoscale Simulations of Detonation Initiation in Energetic Materials with Density-based Kinetics

NASA Astrophysics Data System (ADS)

Jackson, Thomas; Jost, A. M.; Zhang, Ju; Sridharan, P.; Amadio, G.

2017-06-01

In this work we present three-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard Ignition and Growth models. The deposition term is based on previous results of simulations of pore collapse at the microscale, modelled at the mesoscale as hot-spots. We carry out three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no-detonation and detonation depends on the number density of the hot-spots, the initial radius of the hot-spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term. The trends of transition at lower pressure of the imposed shock for larger number density of pore observed in experiments is reproduced. Initial attempts to improve the agreement between the simulation and experiments through calibration of various parameters will also be made.

A platform for studying the Rayleigh-Taylor and Richtmyer-Meshkov instabilities in a planar geometry at high energy density at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Nagel, S. R.; Raman, K. S.; Huntington, C. M.; MacLaren, S. A.; Wang, P.; Barrios, M. A.; Baumann, T.; Bender, J. D.; Benedetti, L. R.; Doane, D. M.; Felker, S.; Fitzsimmons, P.; Flippo, K. A.; Holder, J. P.; Kaczala, D. N.; Perry, T. S.; Seugling, R. M.; Savage, L.; Zhou, Y.

2017-07-01

A new experimental platform has been developed at the National Ignition Facility (NIF) for studying the Rayleigh-Taylor (RT) and Richtmyer-Meshkov (RM) instabilities in a planar geometry at high-energy-densities. The platform uses 60 beams of the NIF laser to drive an initially solid shock tube containing a pre-machined interface between dense and light materials. The strong shock turns the initially solid target into a plasma and the material boundary into a fluid interface with the imprinted initial condition. The interface evolves by action of the RT and RM instabilities, and the growth is imaged with backlit x-ray radiography. We present our first data involving sinusoidal interface perturbations driven from the heavy side to the light side. Late-time radiographic images show the initial conditions reaching the deeply nonlinear regime, and an evolution of fine structure consistent with a transition to turbulence. We show preliminary comparisons with post-shot numerical simulations and discuss the implications for future campaigns.

Relationship between wave energy and free energy from pickup ions in the Comet Halley environment

NASA Technical Reports Server (NTRS)

Huddleston, D. E.; Johnstone, A. D.

1992-01-01

The free energy available from the implanted heavy ion population at Comet Halley is calculated by assuming that the initial unstable velocity space ring distribution of the ions evolves toward a bispherical shell. Ultimately this free energy adds to the turbulence in the solar wind. Upstream and downstream free energies are obtained separately for the conditions observed along the Giotto spacecraft trajectory. The results indicate that the waves are mostly upstream propagating in the solar wind frame. The total free energy density always exceeds the measured wave energy density because, as expected in the nonlinear process of ion scattering, the available energy is not all immediately released. An estimate of the amount which has been released can be obtained from the measured oxygen ion distributions and again it exceeds that observed. The theoretical analysis is extended to calculate the k spectrum of the cometary-ion-generated turbulence.

Low Velocity Sphere Impact of a Soda Lime Silicate Glass

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

Wereszczak, Andrew A; Fox, Ethan E; Morrissey, Timothy G

2011-10-01

This report summarizes TARDEC-sponsored work at Oak Ridge National Laboratory (ORNL) during the FY11 involving low velocity (< 30 m/s or < 65 mph) ball impact testing of Starphire soda lime silicate glass. The intent was to better understand low velocity impact response in the Starphire for sphere densities that bracketed that of rock. Five sphere materials were used: borosilicate glass, soda-lime silicate glass, steel, silicon nitride, and alumina. A gas gun was fabricated to produce controlled velocity delivery of the spheres against Starphire tile targets. Minimum impact velocities to initiate fracture in the Starphire were measured and interpreted inmore » context to the kinetic energy of impact and the elastic property mismatch between the any of the five sphere-Starphire-target combinations. The primary observations from this low velocity (< 30 m/s or < 65 mph) testing were: (1) Frictional effects contribute to fracture initiation. (2) Spheres with a lower elastic modulus require less force to initiate fracture in the Starphire than spheres with a higher elastic modulus. (3) Contact-induced fracture did not initiate in the Starphire SLS for impact kinetic energies < 150 mJ. Fracture sometimes initiated or kinetic energies between {approx} 150-1100 mJ; however, it tended to occur when lower elastic modulus spheres were impacting it. Contact-induced fracture would always occur for impact energies > 1100 mJ. (4) The force necessary to initiate contact-induced fracture is higher under dynamic or impact conditions than it is under quasi-static indentation conditions. (5) Among the five used sphere materials, silicon nitride was the closest match to 'rock' in terms of both density and (probably) elastic modulus.« less

Effect of Doping on the Properties of Hydrogenated Amorphous Silicon Irradiated with Femtosecond Laser Pulses

NASA Astrophysics Data System (ADS)

Denisova, K. N.; Il'in, A. S.; Martyshov, M. N.; Vorontsov, A. S.

2018-04-01

A comparative analysis of the effect of femtosecond laser irradiation on the structure and conductivity of undoped and boron-doped hydrogenated amorphous silicon ( a-Si: H) is performed. It is demonstrated that the process of nanocrystal formation in the amorphous matrix under femtosecond laser irradiation is initiated at lower laser energy densities in undoped a-Si: H samples. The differences in conductivity between undoped and doped a-Si: H samples vanish almost completely after irradiation with an energy density of 150-160 mJ/cm2.

One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

NASA Astrophysics Data System (ADS)

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-01

A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak ne≳ 5 ×1019 m-3 ) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density ne(z ,t ) and temperature Te(z ,t ) , and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excited state manifolds are calculated to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at pA r=30 -60 mTorr . We present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency antenna.

On the Foundation of Equipartition in Supernova Remnants

NASA Astrophysics Data System (ADS)

Urošević, Dejan; Pavlović, Marko Z.; Arbutina, Bojan

2018-03-01

A widely accepted paradigm is that equipartition (eqp) between the energy density of cosmic rays (CRs) and the energy density of the magnetic field cannot be sustained in supernova remnants (SNRs). However, our 3D hydrodynamic supercomputer simulations, coupled with a nonlinear diffusive shock acceleration model, provide evidence that eqp may be established at the end of the Sedov phase of evolution in which most SNRs spend the longest portions of their lives. We introduce the term “constant partition” for any constant ratio between the CR energy density and the energy density of the magnetic field in an SNR, while the term “equipartition” should be reserved for the case of approximately the same values of the energy density (also, it is constant partition in the order of magnitude) of ultra-relativistic electrons only (or CRs in total) and the energy density of the magnetic field. Our simulations suggest that this approximate constant partition exists in all but the youngest SNRs. We speculate that since evolved SNRs at the end of the Sedov phase of evolution can reach eqp between CRs and magnetic fields, they may be responsible for initializing this type of eqp in the interstellar medium. Additionally, we show that eqp between the electron component of CRs and the magnetic field may be used for calculating the magnetic field strength directly from observations of synchrotron emission from SNRs. The values of magnetic field strengths in SNRs given here are approximately 2.5 times lower than values calculated by Arbutina et al.

The growth of filaments by the condensation of coronal arches

NASA Technical Reports Server (NTRS)

Davis, J. M.; Krieger, A. S.

1982-01-01

A model of filament formation based on the condensation of coronal arches is described. The condensation results from initiating the radiative instability within an arch by superimposing a transient energy supply upon the steady state heating mechanism. The transient energy supply increases the density within the arch so that when it is removed the radiative losses are sufficient to lead to cooling below the minimum in the power loss curve. Times from the initial formation of the condensation to its temperature stabilization as a cool filament have been calculated for various initial conditions. They lie in the range 10,000-100,000 s with the majority of the time spent above a temperature of 1 x 10 to the 6th K. Under the assumption that the condensation of a single arch forms an element of the filament, a complete filament requires the condensation of an arcade of loops. Using experimentally derived parameters, filament densities of 10 to the 11th to 10 to the 12th per cu cm can be obtained.

Effect of diet energy level and genomic residual feed intake on dairy heifer performance

USDA-ARS?s Scientific Manuscript database

The objective of this study was to determine the growth, feed intake, and feed efficiency of dairy heifers with different genomically predicted residual feed intakes (RFI), and offered diets differing in energy density. Post-bred Holstein heifers (N=128; ages 14-20 months) were blocked by initial we...

Sensitivity of energy-packed compounds based on superfine and nanoporous silicon to pulsed electrical treatments

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

Zegrya, G. G.; Savenkov, G. G.; Morozov, V. A.

2017-04-15

The sensitivity of an energy-packed compound based on nanoporous silicon and calcium perchlorate to a high-current electron beam is studied. The initiation of explosive transformations in a mixture of potassium picrate with a highly dispersed powder of boron-doped silicon by means of a high-voltage discharge is examined. It is shown that explosive transformation modes (combustion and explosion) appear in the energy-packed compound under study upon its treatment with an electron beam. A relationship is established between the explosive transformation modes and the density of the energy-packed compound and between the breakdown (initiation) voltage and the mass fraction of the siliconmore » powder.« less

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

NASA Astrophysics Data System (ADS)

Li, Xiayue; Curtis, Farren S.; Rose, Timothy; Schober, Christoph; Vazquez-Mayagoitia, Alvaro; Reuter, Karsten; Oberhofer, Harald; Marom, Noa

2018-06-01

We present Genarris, a Python package that performs configuration space screening for molecular crystals of rigid molecules by random sampling with physical constraints. For fast energy evaluations, Genarris employs a Harris approximation, whereby the total density of a molecular crystal is constructed via superposition of single molecule densities. Dispersion-inclusive density functional theory is then used for the Harris density without performing a self-consistency cycle. Genarris uses machine learning for clustering, based on a relative coordinate descriptor developed specifically for molecular crystals, which is shown to be robust in identifying packing motif similarity. In addition to random structure generation, Genarris offers three workflows based on different sequences of successive clustering and selection steps: the "Rigorous" workflow is an exhaustive exploration of the potential energy landscape, the "Energy" workflow produces a set of low energy structures, and the "Diverse" workflow produces a maximally diverse set of structures. The latter is recommended for generating initial populations for genetic algorithms. Here, the implementation of Genarris is reported and its application is demonstrated for three test cases.

Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding.

PubMed

Goldman, Nir; Aradi, Bálint; Lindsey, Rebecca K; Fried, Laurence E

2018-05-08

We detail the creation of a multicenter density functional tight binding (DFTB) model for hydrogen on δ-plutonium, using a framework of new Slater-Koster interaction parameters and a repulsive energy based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES), where two- and three-center atomic interactions are represented by linear combinations of Chebyshev polynomials. We find that our DFTB/ChIMES model yields a total electron density of states for bulk δ-Pu that compares well to that from Density Functional Theory, as well as to a grid of energy calculations representing approximate H 2 dissociation paths on the δ-Pu (100) surface. We then perform molecular dynamics simulations and minimum energy pathway calculations to determine the energetics of surface dissociation and subsurface diffusion on the (100) and (111) surfaces. Our approach allows for the efficient creation of multicenter repulsive energies with a relatively small investment in initial DFT calculations. Our efforts are particularly pertinent to studies that rely on quantum calculations for interpretation and validation, such as experimental determination of chemical reactivity both on surfaces and in condensed phases.

Darkness without dark matter and energy - generalized unimodular gravity

NASA Astrophysics Data System (ADS)

Barvinsky, A. O.; Kamenshchik, A. Yu.

2017-11-01

We suggest a Lorentz non-invariant generalization of the unimodular gravity theory, which is classically equivalent to general relativity with a locally inert (devoid of local degrees of freedom) perfect fluid having an equation of state with a constant parameter w. For the range of w near -1 this dark fluid can play the role of dark energy, while for w = 0 this dark dust admits spatial inhomogeneities and can be interpreted as dark matter. We discuss possible implications of this model in the cosmological initial conditions problem. In particular, this is the extension of known microcanonical density matrix predictions for the initial quantum state of the closed cosmology to the case of spatially open Universe, based on the imitation of the spatial curvature by the dark fluid density. We also briefly discuss quantization of this model necessarily involving the method of gauge systems with reducible constraints and the effect of this method on the treatment of recently! suggested mechanism of vacuum energy sequestering.

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

PubMed

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

2013-07-21

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

21st Century Locomotive Technology: Quarterly Technical Status Report 28

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

Lembit Salasoo; Ramu Chandra

2010-02-19

Thermal testing of a subscale locomotive sodium battery module was initiated.to validate thermal models. The hybrid trip optimizer problem was formulated. As outcomes of this project, GE has proceeded to commercialize trip optimizer technology, and has initiated work on a state-of-the-art battery manufacturing plant for high energy density, sodium-based batteries.

A high-performance supercapacitor electrode based on N-doped porous graphene

NASA Astrophysics Data System (ADS)

Dai, Shuge; Liu, Zhen; Zhao, Bote; Zeng, Jianhuang; Hu, Hao; Zhang, Qiaobao; Chen, Dongchang; Qu, Chong; Dang, Dai; Liu, Meilin

2018-05-01

The development of high-performance supercapacitors (SCs) often faces some contradictory and competing requirements such as excellent rate capability, long cycling life, and high energy density. One effective strategy is to explore electrode materials of high capacitance, electrode architectures of fast charge and mass transfer, and electrolytes of wide voltage window. Here we report a facile and readily scalable strategy to produce high-performance N-doped graphene with a high specific capacitance (∼390 F g-1). A symmetric SC device with a wide voltage window of 3.5 V is also successfully fabricated based on the N-doped graphene electrode. More importantly, the as-assembled symmetric SC delivers a high energy density of 55 Wh kg-1 at a power density of 1800 W kg-1 while maintaining superior cycling life (retaining 96.6% of the initial capacitance after 20,000 cycles). Even at a power density as high as 8800 W kg-1, it still retains an energy density of 29 Wh kg-1, higher than those of previously reported graphene-based symmetric SCs.

Finite-T correlations and free exchange-correlation energy of quasi-one-dimensional electron gas

NASA Astrophysics Data System (ADS)

Garg, Vinayak; Sharma, Akariti; Moudgil, R. K.

2018-02-01

We have studied the effect of temperature on static density-density correlations and plasmon excitation spectrum of quasi-one-dimensional electron gas (Q1DEG) using the random phase approximation (RPA). Numerical results for static structure factor, pair-correlation function, static density susceptibility, free exchange-correlation energy and plasmon dispersion are presented over a wide range of temperature and electron density. As an interesting result, we find that the short-range correlations exhibit a non-monotonic dependence on temperature T, initially growing stronger (i.e. the pair-correlation function at small inter-electron spacing assuming relatively smaller values) with increasing T and then weakening above a critical T. The cross-over temperature is found to increase with increasing coupling among electrons. Also, the q = 2kF peak in the static density susceptibility χ(q,ω = 0,T) at T = 0 K smears out with rising T. The free exchange-correlation energy and plasmon dispersion show a significant variation with T, and the trend is qualitatively the same as in higher dimensions.

Foam-lined hohlraums at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Thomas, Cliff

2017-10-01

Indirect drive inertial confinement fusion (ICF) is made difficult by hohlraum wall motion, laser backscatter, x-ray preheat, high-energy electrons, and specular reflection of the incident laser (i.e. glint). To mitigate, we line the hohlraum with a low-density metal foam, or tamper, whose properties can be readily engineered (opacity, density, laser absorption, ion-acoustic damping, etc.). We motivate the use of low-density foams for these purposes, discuss their development, and present initial findings. Importantly, we demonstrate that we can fabricate a 200-500 um thick liner at densities of 10-100 mg/cm3 that could extend the capabilities of existing physics platforms. The goal of this work is to increase energy coupled to the capsule, and maximize the yield available to science missions at the National Ignition Facility. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Initial Reduction of CO2 on Pd-, Ru-, and Cu-Doped CeO2(111) Surfaces: Effects of Surface Modification on Catalytic Activity and Selectivity.

PubMed

Guo, Chen; Wei, Shuxian; Zhou, Sainan; Zhang, Tian; Wang, Zhaojie; Ng, Siu-Pang; Lu, Xiaoqing; Wu, Chi-Man Lawrence; Guo, Wenyue

2017-08-09

Surface modification by metal doping is an effective treatment technique for improving surface properties for CO 2 reduction. Herein, the effects of doped Pd, Ru, and Cu on the adsorption, activation, and reduction selectivity of CO 2 on CeO 2 (111) were investigated by periodic density functional theory. The doped metals distorted the configuration of a perfect CeO 2 (111) by weakening the adjacent Ce-O bond strength, and Pd doping was beneficial for generating a highly active O vacancy. The analyses of adsorption energy, charge density difference, and density of states confirmed that the doped metals were conducive for enhancing CO 2 adsorption, especially for Cu/CeO 2 (111). The initial reductive dissociation CO 2 → CO* + O* on metal-doped CeO 2 (111) followed the sequence of Cu- > perfect > Pd- > Ru-doped CeO 2 (111); the reductive hydrogenation CO 2 + H → COOH* followed the sequence of Cu- > perfect > Ru- > Pd-doped CeO 2 (111), in which the most competitive route on Cu/CeO 2 (111) was exothermic by 0.52 eV with an energy barrier of 0.16 eV; the reductive hydrogenation CO 2 + H → HCOO* followed the sequence of Ru- > perfect > Pd-doped CeO 2 (111). Energy barrier decomposition analyses were performed to identify the governing factors of bond activation and scission along the initial CO 2 reduction routes. Results of this study provided deep insights into the effect of surface modification on the initial reduction mechanisms of CO 2 on metal-doped CeO 2 (111) surfaces.

Magnetohydrodynamics of atmospheric transients. IV - Nonplane two-dimensional analyses of energy conversion and magnetic field evolution. [during corona following solar flare

NASA Technical Reports Server (NTRS)

Wu, S. T.; Nakagawa, Y.; Han, S. M.; Dryer, M.

1982-01-01

The evolution of the magnetic field and the manner of conversion of thermal energy into different forms in the corona following a solar flare are investigated by means of a nonplane magnetohydrodynamic (MHD) analysis. All three components of magnetic field and velocity are treated in a physically self-consistent manner, with all physical variables as functions of time (t) and two spatial coordinates (r, theta). The difference arising from the initial magnetic field, either twisted (force-free) or non-twisted (potential), is demonstrated. Consideration is given to two initial field topologies (open vs. closed). The results demonstrate that the conversion of magnetic energy is faster for the case of the initially twisted (force-free) field than for the initially untwisted (potential) field. In addition, the twisted field is found to produce a complex structure of the density enhancements.

Plasma Assisted Combustion

DTIC Science & Technology

2007-02-28

these pulses was uniform. Dependence of the energy contribution on pressure is showed in the Figure 3.5. It is clearly seen that for the pressure of...note that water–ions kinetics is more important than kinetics of initial substances– ions because water has higher proton affinity energy than... pulsed discharge. 4.3.2 Kinetic model To calculate the densities of active particles, one has to determine electron energy dis- tribution function (EEDF

Non-Abelian S-term dark energy and inflation

NASA Astrophysics Data System (ADS)

Rodríguez, Yeinzon; Navarro, Andrés A.

2018-03-01

We study the role that a cosmic triad in the generalized SU(2) Proca theory, specifically in one of the pieces of the Lagrangian that involves the symmetric version Sμν of the gauge field strength tensor Fμν, has on dark energy and primordial inflation. Regarding dark energy, the triad behaves asymptotically as a couple of radiation perfect fluids whose energy densities are negative for the S term but positive for the Yang-Mills term. This leads to an interesting dynamical fine-tuning mechanism that gives rise to a combined equation of state parameter ω ≃ - 1 and, therefore, to an eternal period of accelerated isotropic expansion for an ample spectrum of initial conditions. Regarding primordial inflation, one of the critical points of the associated dynamical system can describe a prolonged period of isotropic slow-roll inflation sustained by the S term. This period ends up when the Yang-Mills term dominates the energy density leading to the radiation dominated epoch. Unfortunately, in contrast to the dark energy case, the primordial inflation scenario is strongly sensitive to the coupling constants and initial conditions. The whole model, including the other pieces of the Lagrangian that involve Sμν, might evade the recent strong constraints coming from the gravitational wave signal GW170817 and its electromagnetic counterpart GRB 170817A.

Intensive MHD-structures penetration in the middle atmosphere initiated in the ionospheric cusp under quiet geomagnetic conditions

NASA Technical Reports Server (NTRS)

Mateev, L. N.; Nenovski, P. I.; Vellinov, P. I.

1989-01-01

In connection with the recently detected quasiperiodical magnetic disturbances in the ionospheric cusp, the penetration of compressional surface magnetohydrodynamic (MHD) waves through the middle atmosphere is modelled numerically. For the COSPAR International Reference Atmosphere (CIRA) 72 model the respective energy density flux of the disturbances in the middle atmosphere is determined. On the basis of the developed model certain conclusions are reached about the height distribution of the structures (energy losses, currents, etc.) initiated by intensive magnetic cusp disturbances.

The dark side of cosmology: dark matter and dark energy.

PubMed

Spergel, David N

2015-03-06

A simple model with only six parameters (the age of the universe, the density of atoms, the density of matter, the amplitude of the initial fluctuations, the scale dependence of this amplitude, and the epoch of first star formation) fits all of our cosmological data . Although simple, this standard model is strange. The model implies that most of the matter in our Galaxy is in the form of "dark matter," a new type of particle not yet detected in the laboratory, and most of the energy in the universe is in the form of "dark energy," energy associated with empty space. Both dark matter and dark energy require extensions to our current understanding of particle physics or point toward a breakdown of general relativity on cosmological scales. Copyright © 2015, American Association for the Advancement of Science.

Thermal and energetic constraints on ectotherm abundance: A global test using lizards

USGS Publications Warehouse

Buckley, L.B.; Rodda, G.H.; Jetz, W.

2008-01-01

Population densities of birds and mammals have been shown to decrease with body mass at approximately the same rate as metabolic rates increase, indicating that energetic needs constrain endotherm population densities. In ectotherms, the exponential increase of metabolic rate with body temperature suggests that environmental temperature may additionally constrain population densities. Here we test simple bioenergetic models for an ecologically important group of ectothermic vertebrates by examining 483 lizard populations. We find that lizard population densities decrease as a power law of body mass with a slope approximately inverse to the slope of the relationship between metabolic rates and body mass. Energy availability should limit population densities. As predicted, environmental productivity has a positive effect on lizard density, strengthening the relationship between lizard density and body mass. In contrast, the effect of environmental temperature is at most weak due to behavioral thermoregulation, thermal evolution, or the temperature dependence of ectotherm performance. Our results provide initial insights into how energy needs and availability differentially constrain ectotherm and endotherm density across broad spatial scales. ?? 2008 by the Ecological Society of America.

Thermal and energetic constraints on ectotherm abundance: a global test using lizards.

PubMed

Buckley, Lauren B; Rodda, Gordon H; Jetz, Walter

2008-01-01

Population densities of birds and mammals have been shown to decrease with body mass at approximately the same rate as metabolic rates increase, indicating that energetic needs constrain endotherm population densities. In ectotherms, the exponential increase of metabolic rate with body temperature suggests that environmental temperature may additionally constrain population densities. Here we test simple bioenergetic models for an ecologically important group of ectothermic vertebrates by examining 483 lizard populations. We find that lizard population densities decrease as a power law of body mass with a slope approximately inverse to the slope of the relationship between metabolic rates and body mass. Energy availability should limit population densities. As predicted, environmental productivity has a positive effect on lizard density, strengthening the relationship between lizard density and body mass. In contrast, the effect of environmental temperature is at most weak due to behavioral thermoregulation, thermal evolution, or the temperature dependence of ectotherm performance. Our results provide initial insights into how energy needs and availability differentially constrain ectotherm and endotherm density across broad spatial scales.

High baryon and energy densities achievable in heavy-ion collisions at √{sN N}=39 GeV

NASA Astrophysics Data System (ADS)

Ivanov, Yu. B.; Soldatov, A. A.

2018-02-01

Baryon and energy densities, which are reached in central Au+Au collisions at collision energy of √{sN N}= 39 GeV, are estimated within the model of three-fluid dynamics. It is shown that the initial thermalized mean proper baryon and energy densities in a sizable central region approximately are nB/n0≈ 10 and ɛ ≈ 40 GeV/fm3, respectively. The study indicates that the deconfinement transition at the stage of interpenetration of colliding nuclei makes the system quite opaque. The final fragmentation regions in these collisions are formed not only by primordial fragmentation fireballs, i.e., the baryon-rich matter passed through the interaction region (containing approximately 30% of the total baryon charge), but also by the baryon-rich regions of the central fireball pushed out to peripheral rapidities by the subsequent almost one-dimensional expansion of the central fireball along the beam direction.

What my dogs forced me to learn about thermal energy transfer

NASA Astrophysics Data System (ADS)

Bohren, Craig F.

2015-05-01

Some objects feel colder to the touch than others at the same (room) temperature. But explaining why by linear, single-factor reasoning is inadequate because the time-dependent thermal energy transfer at solid interfaces initially at different temperatures is determined by the thermal inertia √{ k ρ c } , a function of three thermophysical properties: thermal conductivity k, density ρ, and specific heat capacity per unit mass c. In time-dependent problems 1 / √{ k ρ c } plays the role of a resistance. As an example, although the thermal conductivity of aluminum is 16 times that of stainless steel, this does not translate into a 16-fold difference in interfacial thermal energy flux densities. Nor does it result in a markedly greater perceived coldness of aluminum; the difference is barely perceptible. Similarly, despite the 600-fold difference in the thermal conductivity of iron relative to that of wood, the ratio of thermal energy flux densities is only about 4.6.

Microscopic Phase-Space Exploration Modeling of ^{258}Fm Spontaneous Fission.

PubMed

Tanimura, Yusuke; Lacroix, Denis; Ayik, Sakir

2017-04-14

We show that the total kinetic energy (TKE) of nuclei after the spontaneous fission of ^{258}Fm can be well reproduced using simple assumptions on the quantum collective phase space explored by the nucleus after passing the fission barrier. Assuming energy conservation and phase-space exploration according to the stochastic mean-field approach, a set of initial densities is generated. Each density is then evolved in time using the nuclear time-dependent density-functional theory with pairing. This approach goes beyond the mean-field theory by allowing spontaneous symmetry breaking as well as a wider dynamical phase-space exploration leading to larger fluctuations in collective space. The total kinetic energy and mass distributions are calculated. New information on the fission process: fluctuations in scission time, strong correlation between TKE and collective deformation, as well as prescission particle emission, are obtained. We conclude that fluctuations of the TKE and mass are triggered by quantum fluctuations.

Bipolar membrane electrodialysis for generation of hydrochloric acid and ammonia from simulated ammonium chloride wastewater.

PubMed

Li, Ya; Shi, Shaoyuan; Cao, Hongbin; Wu, Xinmin; Zhao, Zhijuan; Wang, Liying

2016-02-01

Simulated ammonium chloride wastewater was treated by a lab-scale bipolar membrane electrodialysis for the generation of HCl and NH3·H2O and desalination. The influence of initial concentration of NH4Cl, current density, salt solution volume, initial concentration of acid and base and membrane stack structure on the yields of HCl and NH3·H2O was investigated. The current efficiency and energy consumption were also examined under different conditions. The results showed that, at the current density of 48 mA/cm(2), the highest concentration of HCl and NH3·H2O with initial concentration of 110 g/L NH4Cl was 57.67 g/L and 45.85 g/L, respectively. Higher initial concentration of NH4Cl was favor to reduce unit energy consumption and increase current efficiency of the BMED system. The membrane stack voltage of BMED increased quickly under constant current when the concentration of NH4Cl contained in the solution of salt compartment was depleted below the "inflection point concentration" about 8000 mg/L. It means that the concentration of NH4Cl below 8000 mg/L was no longer suitable for BMED because of higher energy consumption. The HCl and NH3·H2O concentration increased more quickly following the increase of current density. When increasing the volume of NH4Cl, the concentration of HCl and NH3·H2O also increased. The high initial concentration of acid and base could improve the final concentration of them, while the growth rate was decreased. Compared with the BMED system with three compartments, the growth rate of HCl concentration with the two compartments was higher and its unit energy consumption was lower. It meant that the performance of the BMED system could be improved by optimizing operation conditions. The application feasibility of the generation of HCl and NH3·H2O and desalination of ammonium chloride wastewater by BMED was proved. Copyright © 2015 Elsevier Ltd. All rights reserved.

Baseline Testing of Ultracapacitors for the Next Generation Launch Technology (NGLT) Project. Revised

NASA Technical Reports Server (NTRS)

Eichenberg, Dennis J.

2005-01-01

The NASA John H. Glenn Research Center initiated baseline testing of ultracapacitors for the Next Generation Launch Transportation (NGLT) project to obtain empirical data for determining the feasibility of using ultracapacitors for the project. There are large transient loads associated with NGLT that require either a very large primary energy source or an energy storage system. The primary power source used for these tests is a proton exchange membrane (PEM) fuel cell. The energy storage system can consist of devices such as batteries, flywheels, or ultracapacitors. Ultracapacitors were used for these tests. Ultracapacitors are ideal for applications such as NGLT where long life, maintenance-free operation, and excellent low-temperature performance is essential. State-of-the-art symmetric ultracapacitors were used for these tests. The ultracapacitors were interconnected in an innovative configuration to minimize interconnection impedance. PEM fuel cells provide excellent energy density, but not good power density. Ultracapacitors provide excellent power density, but not good energy density. The combination of PEM fuel cells and ultracapacitors provides a power source with excellent energy density and power density. The life of PEM fuel cells is shortened significantly by large transient loads. Ultracapacitors used in conjunction with PEM fuel cells reduce the transient loads applied to the fuel cell, and thus appreciably improves its life. PEM fuel cells were tested with and without ultracapacitors, to determine the benefits of ultracapacitors. The report concludes that the implementation of symmetric ultracapacitors in the NGLT power system can provide significant improvements in power system performance and reliability.

Baseline Testing of Ultracapacitors for the Next Generation Launch Technology (NGLT) Project

NASA Technical Reports Server (NTRS)

Eichenberg, Dennis J.

2004-01-01

The NASA John H. Glenn Research Center initiated baseline testing of ultracapacitors for the Next Generation Launch Transportation (NGLT) project to obtain empirical data for determining the feasibility of using ultracapacitors for the project. There are large transient loads associated with NGLT that require either a very large primary energy source or an energy storage system. The primary power source used for these tests is a proton exchange membrane (PEM) fuel cell. The energy storage system can consist of devices such as batteries, flywheels, or ultracapacitors. Ultracapacitors were used for these tests. Ultracapacitors are ideal for applications such as NGLT where long life, maintenance-free operation, and excellent low-temperature performance is essential. State-of-the-art symmetric ultracapacitors were used for these tests. The ultracapacitors were interconnected in an innovative configuration to minimize interconnection impedance. PEM fuel cells provide excellent energy density, but not good power density. Ultracapacitors provide excellent power density, but not good energy density. The combination of PEM fuel cells and ultracapacitors provides a power source with excellent energy density and power density. The life of PEM fuel cells is shortened significantly by large transient loads. Ultracapacitors used in conjunction with PEM fuel cells reduce the transient loads applied to the fuel cell, and thus appreciably improves its life. PEM fuel cells were tested with and without ultracapacitors, to determine the benefits of ultracapacitors. The report concludes that the implementation of symmetric ultracapacitors in the NGLT power system can provide significant improvements in power system performance and reliability.

Light-front representation of chiral dynamics in peripheral transverse densities

DOE PAGES

Granados, Carlos G.; Weiss, Christian

2015-07-31

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

Electron cyclotron thruster new modeling results preparation for initial experiments

NASA Technical Reports Server (NTRS)

Hooper, E. Bickford

1993-01-01

The following topics are discussed: a whistler-based electron cyclotron resonance heating (ECRH) thruster; cross-field coupling in the helicon approximation; wave propagation; wave structure; plasma density; wave absorption; the electron distribution function; isothermal and adiabatic plasma flow; ECRH thruster modeling; a PIC code model; electron temperature; electron energy; and initial experimental tests. The discussion is presented in vugraph form.

Effects of Density Stratification in Compressible Polytropic Convection

NASA Astrophysics Data System (ADS)

Manduca, Cathryn M.; Anders, Evan H.; Bordwell, Baylee; Brown, Benjamin P.; Burns, Keaton J.; Lecoanet, Daniel; Oishi, Jeffrey S.; Vasil, Geoffrey M.

2017-11-01

We study compressible convection in polytropically-stratified atmospheres, exploring the effect of varying the total density stratification. Using the Dedalus pseudospectral framework, we perform 2D and 3D simulations. In these experiments we vary the number of density scale heights, studying atmospheres with little stratification (1 density scale height) and significant stratification (5 density scale heights). We vary the level of convective driving (quantified by the Rayleigh number), and study flows at similar Mach numbers by fixing the initial superadiabaticity. We explore the differences between 2D and 3D simulations, and in particular study the equilibration between different reservoirs of energy (kinetic, potential and internal) in the evolved states.

One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

DOE PAGES

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-28

A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak n e~ > 5x10 19 m –3) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D, with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density n e(z,t) and temperature T e(z,t), and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excitedmore » state manifolds are calculated in order to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at p Ar = 30-60 mTorr. Lastly, we present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency (RF) antenna.« less

THREE-DIMENSIONAL SIMULATIONS OF MAGNETOHYDRODYNAMIC TURBULENCE BEHIND RELATIVISTIC SHOCK WAVES AND THEIR IMPLICATIONS FOR GAMMA-RAY BURSTS

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

Inoue, Tsuyoshi; Asano, Katsuaki; Ioka, Kunihito, E-mail: inouety@phys.aoyama.ac.jp

2011-06-20

Relativistic astrophysical phenomena such as gamma-ray bursts (GRBs) and active galactic nuclei often require long-lived strong magnetic fields that cannot be achieved by shock compression alone. Here, we report on three-dimensional special-relativistic magnetohydrodynamic (MHD) simulations that we performed using a second-order Godunov-type conservative code to explore the amplification and decay of macroscopic turbulence dynamo excited by the so-called Richtmyer-Meshkov instability (RMI; a Rayleigh-Taylor-type instability). This instability is an inevitable outcome of interactions between shock and ambient density fluctuations. We find that the magnetic energy grows exponentially in a few eddy-turnover times because of field-line stretching and then, following the decaymore » of kinetic turbulence, decays with a temporal power-law exponent of -0.7. The magnetic energy fraction can reach {epsilon}{sub B} {approx} 0.1 but depends on the initial magnetic field strength, which can diversify the observed phenomena. We find that the magnetic energy grows by at least two orders of magnitude compared to the magnetic energy immediately behind the shock, provided the kinetic energy of turbulence injected by the RMI is greater than the magnetic energy. This minimum degree of amplification does not depend on the amplitude of the initial density fluctuations, while the growth timescale and the maximum magnetic energy depend on the degree of inhomogeneity in the density. The transition from Kolmogorov cascade to MHD critical balance cascade occurs at {approx}1/10th the initial inhomogeneity scale, which limits the maximum synchrotron polarization to less than {approx}2%. We derive analytical formulas for these numerical results and apply them to GRBs. New results include the avoidance of electron cooling with RMI turbulence, the turbulent photosphere model via RMI, and the shallow decay of the early afterglow from RMI. We also perform a simulation of freely decaying turbulence with relativistic velocity dispersion. We find that relativistic turbulence begins to decay much more quickly than one eddy-turnover time because of rapid shock dissipation, which does not support the relativistic turbulence model by Narayan and Kumar.« less

Annular wave packets at Dirac points in graphene and their probability-density oscillation.

PubMed

Luo, Ji; Valencia, Daniel; Lu, Junqiang

2011-12-14

Wave packets in graphene whose central wave vector is at Dirac points are investigated by numerical calculations. Starting from an initial Gaussian function, these wave packets form into annular peaks that propagate to all directions like ripple-rings on water surface. At the beginning, electronic probability alternates between the central peak and the ripple-rings and transient oscillation occurs at the center. As time increases, the ripple-rings propagate at the fixed Fermi speed, and their widths remain unchanged. The axial symmetry of the energy dispersion leads to the circular symmetry of the wave packets. The fixed speed and widths, however, are attributed to the linearity of the energy dispersion. Interference between states that, respectively, belong to two branches of the energy dispersion leads to multiple ripple-rings and the probability-density oscillation. In a magnetic field, annular wave packets become confined and no longer propagate to infinity. If the initial Gaussian width differs greatly from the magnetic length, expanding and shrinking ripple-rings form and disappear alternatively in a limited spread, and the wave packet resumes the Gaussian form frequently. The probability thus oscillates persistently between the central peak and the ripple-rings. If the initial Gaussian width is close to the magnetic length, the wave packet retains the Gaussian form and its height and width oscillate with a period determined by the first Landau energy. The wave-packet evolution is determined jointly by the initial state and the magnetic field, through the electronic structure of graphene in a magnetic field. © 2011 American Institute of Physics

Black hole genesis of dark matter

NASA Astrophysics Data System (ADS)

Lennon, Olivier; March-Russell, John; Petrossian-Byrne, Rudin; Tillim, Hannah

2018-04-01

We present a purely gravitational infra-red-calculable production mechanism for dark matter (DM) . The source of both the DM relic abundance and the hot Standard Model (SM) plasma is a primordial density of micro black holes (BHs), which evaporate via Hawking emission into both the dark and SM sectors. The mechanism has four qualitatively different regimes depending upon whether the BH evaporation is 'fast' or 'slow' relative to the initial Hubble rate, and whether the mass of the DM particle is 'light' or 'heavy' compared to the initial BH temperature. For each of these regimes we calculate the DM yield, Y, as a function of the initial state and DM mass and spin. In the 'slow' regime Y depends on only the initial BH mass over a wide range of initial conditions, including scenarios where the BHs are a small fraction of the initial energy density. The DM is produced with a highly non-thermal energy spectrum, leading in the 'light' DM mass regime (~260 eV and above depending on DM spin) to a strong constraint from free-streaming, but also possible observational signatures in structure formation in the spin 3/2 and 2 cases. The 'heavy' regime (~1.2 × 108 GeV to MPl depending on spin) is free of these constraints and provides new possibilities for DM detection. In all cases there is a dark radiation component predicted.

The Role of Retained Austenite on the Mechanical Properties of a Low Carbon 3Mn-1.5Ni Steel

NASA Astrophysics Data System (ADS)

Chen, Jun; Zhang, Wei-na; Liu, Zhen-yu; Wang, Guo-dong

2017-12-01

The present studies focus on the correlation between retained austenite characteristics and the cryogenic temperature Charpy impact toughness, strength, and plasticity. The steels with different volume fractions and stabilities of retained austenite were prepared by quenching followed by intercritical heat treatment, and the microstructure was characterized using scanning electron microscope, electron back-scattered diffraction, and X-ray diffraction. The grain size, dislocation density, crack initiation energy, and crack propagation energy were quantified. It has been demonstrated that the volume fraction of retained austenite plays a significant role in the reduction of the measured yield strength and the effect of tempered martensite/ferrite matrix on cryogenic temperature impact toughness can be assumed to be similar due to the similar grain size, dislocation density and element content in solution for different heat treatments. It was found that the stability of retained austenite plays a determining role in the increase of cryogenic temperature impact toughness. Furthermore, the dependence of the crack propagation energy on retained austenite is much greater than that of the crack initiation energy. Generally, an excellent UTS × TEL does not produce good cryogenic temperature impact toughness.

Effects of various light curing methods on the leachability of uncured substances and hardness of a composite resin.

PubMed

Moon, H-J; Lee, Y-K; Lim, B-S; Kim, C-W

2004-03-01

The purpose of this study was to evaluate the effect of the various light curing units (plasma arc, halogen and light-emitting diodes) and irradiation methods (one-step, two-step and pulse) using different light energy densities on the leachability of unreacted monomers (Bis-GMA and UDMA) and the surface hardness of a composite resin (Z250, 3M). Leachability of the specimens immersed for 7 days in ethanol was analysed by HPLC. Vicker's hardness number (VHN) was measured immediately after curing (IC) and after immersion in ethanol for 7 days. Various irradiation methods with three curing units resulted in differences in the amount of leached monomers and VHN of IC when light energy density was lower than 17.0 J cm(-2) (P = 0.05). However, regardless of curing units and irradiation methods, these results were not different when the time or light energy density increased. When similar light energy density was irradiated (15.6-17.7 J cm(-2)), the efficiency of irradiation methods was different by the following order: one-step > or = two-step > pulse. These results suggest that the amount of leached monomers and VHN were influenced by forming polymer structure in activation and initiation stages of polymerization process with different light source energies and curing times.

The effective Tolman temperature in curved spacetimes

NASA Astrophysics Data System (ADS)

Kim, Wontae

We review a recently proposed effective Tolman temperature and present its applications to various gravitational systems. In the Unruh state for the evaporating black holes, the free-fall energy density is found to be negative divergent at the horizon, which is in contrast to the conventional calculations performed in the Kruskal coordinates. We resolve this conflict by invoking that the Kruskal coordinates could be no longer proper coordinates at the horizon. In the Hartle-Hawking-Israel state, despite the negative finite proper energy density at the horizon, the Tolman temperature is divergent there due to the infinite blueshift of the Hawking temperature. However, a consistent Stefan-Boltzmann law with the Hawking radiation shows that the effective Tolman temperature is eventually finite everywhere and the equivalence principle is surprisingly restored at the horizon. Then, we also show that the firewall necessarily emerges out of the Unruh vacuum, so that the Tolman temperature in the evaporating black hole is naturally divergent due to the infinitely blueshifted negative ingoing flux crossing the horizon, whereas the outgoing Hawking radiation characterized by the effective Tolman temperature indeed originates from the quantum atmosphere, not just at the horizon. So, the firewall and the atmosphere for the Hawking radiation turn out to be compatible, once we discard the fact that the Hawking radiation in the Unruh state originates from the infinitely blueshifted outgoing excitations at the horizon. Finally, as a cosmological application, the initial radiation energy density in warm inflation scenarios has been assumed to be finite when inflation starts. We successfully find the origin of the nonvanishing initial radiation energy density in the warm inflation by using the effective Tolman temperature.

Pulsar Wind Bubble Blowout from a Supernova

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

Blondin, John M.; Chevalier, Roger A., E-mail: blondin@ncsu.edu

For pulsars born in supernovae, the expansion of the shocked pulsar wind nebula is initially in the freely expanding ejecta of the supernova. While the nebula is in the inner flat part of the ejecta density profile, the swept-up, accelerating shell is subject to the Rayleigh–Taylor instability. We carried out two- and three-dimensional simulations showing that the instability gives rise to filamentary structure during this initial phase but does not greatly change the dynamics of the expanding shell. The flow is effectively self-similar. If the shell is powered into the outer steep part of the density profile, the shell ismore » subject to a robust Rayleigh–Taylor instability in which the shell is fragmented and the shocked pulsar wind breaks out through the shell. The flow is not self-similar in this phase. For a wind nebula to reach this phase requires that the deposited pulsar energy be greater than the supernova energy, or that the initial pulsar period be in the ms range for a typical 10{sup 51} erg supernova. These conditions are satisfied by some magnetar models for Type I superluminous supernovae. We also consider the Crab Nebula, which may be associated with a low energy supernova for which this scenario applies.« less

Coordinated regulation of nitrogen supply mode and initial cell density for energy storage compounds production with economized nitrogen utilization in a marine microalga Isochrysis zhangjiangensis.

PubMed

Chi, Lei; Yao, Changhong; Cao, Xupeng; Xue, Song

2016-01-01

Lipids and carbohydrates are main energy storage compounds (ESC) of microalgae under stressed conditions and they are potential feedstock for biofuel production. Yet, the sustainable and commercially successful production of ESC in microalgae needs to consider nitrogen utilization efficiency. Here the impact of different initial cell densities (ICDs) on ESC accumulation in Isochrysis zhangjiangensis under two nitrogen supply modes (an initially equal concentration of nitrogen per-cell in the medium (N1) and an equal total concentration of nitrogen in the culture system (N2)) were investigated. The results demonstrated that the highest ESC yield (1.36gL(-1)) at N1, which included a maximal nitrogen supply in the cultivation system, and the highest ESC content (66.5%) and ESC productivity per mass of nitrogen (3.28gg(-1) (N) day(-1)) at N2, were all obtained under a high ICD of 8.0×10(6)cellsmL(-1). Therefore I. zhangjiangensis qualifies for ESC-enriched biomass production with economized nitrogen utilization. Copyright © 2015 Elsevier Ltd. All rights reserved.

Photoexcited energy transfer in a weakly coupled dimer

DOE PAGES

Hernandez, Laura Alfonso; Nelson, Tammie; Tretiak, Sergei; ...

2015-01-08

Nonadiabatic excited-state molecular dynamics (NA-ESMD) simulations have been performed in order to study the time-dependent exciton localization during energy transfer between two chromophore units of the weakly coupled anthracene dimer dithia-anthracenophane (DTA). Simulations are done at both low temperature (10 K) and room temperature (300 K). The initial photoexcitation creates an exciton which is primarily localized on a single monomer unit. Subsequently, the exciton experiences an ultrafast energy transfer becoming localized on either one monomer unit or the other, whereas delocalization between both monomers never occurs. In half of the trajectories, the electronic transition density becomes completely localized on themore » same monomer as the initial excitation, while in the other half, it becomes completely localized on the opposite monomer. In this article, we present an analysis of the energy transfer dynamics and the effect of thermally induced geometry distortions on the exciton localization. Finally, simulated fluorescence anisotropy decay curves for both DTA and the monomer unit dimethyl anthracene (DMA) are compared. As a result, our analysis reveals that changes in the transition density localization caused by energy transfer between two monomers in DTA is not the only source of depolarization and exciton relaxation within a single DTA monomer unit can also cause reorientation of the transition dipole.« less

Photoexcited Energy Transfer in a Weakly Coupled Dimer.

PubMed

Alfonso Hernandez, Laura; Nelson, Tammie; Tretiak, Sergei; Fernandez-Alberti, Sebastian

2015-06-18

Nonadiabatic excited-state molecular dynamics (NA-ESMD) simulations have been performed in order to study the time-dependent exciton localization during energy transfer between two chromophore units of the weakly coupled anthracene dimer dithia-anthracenophane (DTA). Simulations are done at both low temperature (10 K) and room temperature (300 K). The initial photoexcitation creates an exciton which is primarily localized on a single monomer unit. Subsequently, the exciton experiences an ultrafast energy transfer becoming localized on either one monomer unit or the other, whereas delocalization between both monomers never occurs. In half of the trajectories, the electronic transition density becomes completely localized on the same monomer as the initial excitation, while in the other half, it becomes completely localized on the opposite monomer. In this article, we present an analysis of the energy transfer dynamics and the effect of thermally induced geometry distortions on the exciton localization. Finally, simulated fluorescence anisotropy decay curves for both DTA and the monomer unit dimethyl anthracene (DMA) are compared. Our analysis reveals that changes in the transition density localization caused by energy transfer between two monomers in DTA is not the only source of depolarization and exciton relaxation within a single DTA monomer unit can also cause reorientation of the transition dipole.

Hydrodynamics of Relativistic Fireballs

NASA Technical Reports Server (NTRS)

Piran, Tsvi; Shemi, Amotz; Narayan, Ramesh

1993-01-01

Many models of gamma-ray bursts involve a fireball, which is an optically thick concentration of radiation energy with a high ratio of energy density to rest mass. We examine analytically and numerically the evolution of a relativistic fireball. We show that, after an early rearrangement phase, most of the matter and energy in the fireball is concentrated within a narrow shell. The shell propagates at nearly the speed of light, with a frozen radial profile, and according to a simple set of scaling laws. The spectrum of the escaping radiation is harder at early times and softer later on. Depending on the initial energy-to-mass ratio, the final outcome of a fireball is either photons with roughly the initial temperature or ultrarelativistic baryons. In the latter case, the energy could be converted back to gamma-rays via interaction with surrounding material.

Density functional theory study of HfCl4, ZrCl4, and Al(CH3)3 decomposition on hydroxylated SiO2: Initial stage of high-k atomic layer deposition

NASA Astrophysics Data System (ADS)

Jeloaica, L.; Estève, A.; Djafari Rouhani, M.; Estève, D.

2003-07-01

The initial stage of atomic layer deposition of HfO2, ZrO2, and Al2O3 high-k films, i.e., the decomposition of HfCl4, ZrCl4, and Al(CH3)3 precursor molecules on an OH-terminated SiO2 surface, is investigated within density functional theory. The energy barriers are determined using artificial activation of vibrational normal modes. For all precursors, reaction proceeds through the formation of intermediate complexes that have equivalent formation energies (˜-0.45 eV), and results in HCl and CH4 formation with activation energies of 0.88, 0.91, and 1.04 eV for Hf, Zr, and Al based precursors, respectively. The reaction product of Al(CH3)3 decomposition is found to be more stable (by -1.45 eV) than the chemisorbed intermediate complex compared to the endothermic decomposition of HfCl4 and ZrCl4 chemisorbed precursors (0.26 and 0.29 eV, respectively).

The initiation and growth of delaminations induced by matrix microcracks in laminated composites

NASA Technical Reports Server (NTRS)

Nairn, J. A.; Hu, S.

1992-01-01

A recent variational mechanics analysis of microcracking damage in cross-ply laminates of the form /(S)/90n/s, where (S) is any orthotropic sublaminate much stiffer than /90n/, has been extended to account for the presence of delaminations emanating from the tips of microcracks in the /90 2n/T sublaminate. The new two-dimensional stress analysis is used to calculate the total strain energy, effective modulus, and longitudinal thermal expansion coefficient for a laminate having microcracks and delaminations. These results are used to calculate the energy release rate for the initiation and growth of a delamination induced by a matrix microcrack. At low crack densities, /(S)/90n/s laminates are expected to fail by microcracking and to show little or no delamination. At some critical crack density, which is a function of laminate structure and material properties, the energy release rate for delamination exceeds that for microcracking and delamination is predicted to dominate over microcracking. A quasi-three-dimensional model is used to predict the propagation of arbitrarily shaped delamination fronts. All predictions agree with experimental observations.

A simple derivation of the exact quasiparticle theory and its extension to arbitrary initial excited eigenstates.

PubMed

Ohno, Kaoru; Ono, Shota; Isobe, Tomoharu

2017-02-28

The quasiparticle (QP) energies, which are minus of the energies required by removing or produced by adding one electron from/to the system, corresponding to the photoemission or inverse photoemission (PE/IPE) spectra, are determined together with the QP wave functions, which are not orthonormal and even not linearly independent but somewhat similar to the normal spin orbitals in the theory of the configuration interaction, by self-consistently solving the QP equation coupled with the equation for the self-energy. The electron density, kinetic, and all interaction energies can be calculated using the QP wave functions. We prove in a simple way that the PE/IPE spectroscopy and therefore this QP theory can be applied to an arbitrary initial excited eigenstate. In this proof, we show that the energy-dependence of the self-energy is not an essential difficulty, and the QP picture holds exactly if there is no relaxation mechanism in the system. The validity of the present theory for some initial excited eigenstates is tested using the one-shot GW approximation for several atoms and molecules.

Application of hybrid supercapacitor using granule Li4Ti5O12/activated carbon with variation of current density

NASA Astrophysics Data System (ADS)

Lee, Byung-Gwan; Lee, Seung-Hwan

2017-03-01

We report the electrochemical performance of asymmetric hybrid supercapacitors composed of granule Li4Ti5O12 as an anode and activated carbon as a cathode with different current densities. It is demonstrated that the hybrid supercapacitors show good initial discharge capacities were ranged from 39.8 to 46.4 F g-1 in the current densities range of 0.3-1 A g-1. The performance degradation is proportional to the current density due to quick gassing, resulting from H2O and HF formation. In particular, the hybrid supercapacitors show the pretty good cycling stability of 97.4%, even at the high current density of 0.8 A g-1, which are among most important performance in the real application for energy storage devices. Therefore, we believe that hybrid supercapacitors using granule Li4Ti5O12/activated carbon are eligible for the promising next generation energy devices.

Centrality and collision system dependence of antiproton production from p+A to Au+Au collisions at AGS energies

NASA Technical Reports Server (NTRS)

Sako, H.; Ahle, L.; Akiba, Y.; Ashktorab, K.; Baker, M. D.; Beavis, D.; Britt, H. C.; Chang, J.; Chasman, C.; Chen, Z.;

Influence of sample preparation on the transformation of low-density to high-density amorphous ice: An explanation based on the potential energy landscape

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Starr, Francis W.; Poole, Peter H.

2017-07-01

Experiments and computer simulations of the transformations of amorphous ices display different behaviors depending on sample preparation methods and on the rates of change of temperature and pressure to which samples are subjected. In addition to these factors, simulation results also depend strongly on the chosen water model. Using computer simulations of the ST2 water model, we study how the sharpness of the compression-induced transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is influenced by the preparation of LDA. By studying LDA samples prepared using widely different procedures, we find that the sharpness of the LDA-to-HDA transformation is correlated with the depth of the initial LDA sample in the potential energy landscape (PEL), as characterized by the inherent structure energy. Our results show that the complex phenomenology of the amorphous ices reported in experiments and computer simulations can be understood and predicted in a unified way from knowledge of the PEL of the system.

Comparison of magnetosonic wave and water group ion energy densities at Comet Giacobini-Zinner

NASA Technical Reports Server (NTRS)

Staines, K.; Balogh, A.; Cowley, S. W. H.; Forster, P. M. De F.; Hynds, R. J.; Yates, T. S.; Sanderson, T. R.; Wenzel, K.-P.; Tsurutani, B. T.

1991-01-01

Measurements of the Comet Giacobini-Zinner (GZ) are presented to determine to what extent wave-particle scattering redistributed the initial pick-up energy of the ion population. Also examined is the difference between the ion thermal energy and the energy in the magnetic fields of the waves. In spite of uncertainty of about a factor of 2 noted in the pick-up and mass-loaded regions, it is shown that less than approximately 50 percent of the pick-up energy is converted into wave magnetic energy in the inbound pick-up region.

Convergence of Ground and Excited State Properties of Divacancy Defects in 4H-SiC with Computational Cell Size

DTIC Science & Technology

2018-03-01

computational parameters needs to be established. We used density functional theory to compute defect formation energies of the neutral and charged hh... energies for the 3A to 3E transition (absorption, zero phonon lines, and emission), which is essential for optical initialization and read-out. We...PBE, defect formation energy , charge transition levels, absorption, zero phonon lines, emission 16. SECURITY CLASSIFICATION OF: 17. LIMITATION

The preplasma effect on the properties of the shock wave driven by a fast electron beam

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

Llor Aisa, E.; Ribeyre, X.; Tikhonchuk, V. T.

2016-08-15

Strong shock wave generation by a mono-energetic fast electron beam in a plasma with an increasing density profile is studied theoretically. The proposed analytical model describes the shock wave characteristics for a homogeneous plasma preceded by a low density precursor. The shock pressure and the time of shock formation depend on the ratio of the electron stopping length to the preplasma areal density and on the initial energy of injected electrons. The conclusions of theoretical model are confirmed in numerical simulations.

Computational Study of the Richtmyer-Meshkov Instability with a Complex Initial Condition

NASA Astrophysics Data System (ADS)

McFarland, Jacob; Reilly, David; Greenough, Jeffrey; Ranjan, Devesh

2014-11-01

Results are presented for a computational study of the Richtmyer-Meshkov instability with a complex initial condition. This study covers experiments which will be conducted at the newly-built inclined shock tube facility at the Georgia Institute of Technology. The complex initial condition employed consists of an underlying inclined interface perturbation with a broadband spectrum of modes superimposed. A three-dimensional staggered mesh arbitrary Lagrange Eulerian (ALE) hydrodynamics code developed at Lawerence Livermore National Laboratory called ARES was used to obtain both qualitative and quantitative results. Qualitative results are discussed using time series of density plots from which mixing width may be extracted. Quantitative results are also discussed using vorticity fields, circulation components, and energy spectra. The inclined interface case is compared to the complex interface case in order to study the effect of initial conditions on shocked, variable-density flows.

Controlling self-assembly of microtubule spools via kinesin motor density

PubMed Central

Lam, A.T.; Curschellas, C.; Krovvidi, D.; Hess, H.

2014-01-01

Active self-assembly, in which non-thermal energy is consumed by the system to put together building blocks, allows the creation of non-equilibrium structures and active materials. Microtubule spools assembled in gliding assays are one example of such non-equilibrium structures, capable of storing bending energies on the order of 105 kT. Although these structures arise spontaneously in experiments, the origin of microtubule spooling has long been debated. Here, using a stepwise kinesin gradient, we demonstrate that spool assembly can be controlled by the surface density of kinesin motors, showing that pinning of microtubules due to dead motors plays a dominant role in spool initiation. PMID:25269076

Controlling self-assembly of microtubule spools via kinesin motor density.

PubMed

Lam, A T; Curschellas, C; Krovvidi, D; Hess, H

2014-11-21

Active self-assembly, in which non-thermal energy is consumed by the system to put together building blocks, allows the creation of non-equilibrium structures and active materials. Microtubule spools assembled in gliding assays are one example of such non-equilibrium structures, capable of storing bending energies on the order of 10(5) kT. Although these structures arise spontaneously in experiments, the origin of microtubule spooling has long been debated. Here, using a stepwise kinesin gradient, we demonstrate that spool assembly can be controlled by the surface density of kinesin motors, showing that pinning of microtubules due to dead motors plays a dominant role in spool initiation.

Preparation of 3D Architecture Graphdiyne Nanosheets for High-Performance Sodium-Ion Batteries and Capacitors.

PubMed

Wang, Kun; Wang, Ning; He, Jianjiang; Yang, Ze; Shen, Xiangyan; Huang, Changshui

2017-11-22

Here, we apply three-dimensional (3D) architecture graphdiyne nanosheet (GDY-NS) as anode materials for sodium-ion storage devices achieving high energy and power performance along with excellent cyclic ability. The contribution of 3D architecture nanostructure and intramolecular pores of the GDY-NS can substantially optimize the sodium storage behavior through the accommodated intramolecular pore, 3D interconnective porous structure, and increased activity sites to facilitate a fast sodium-ion-diffusion channel. The contribution of butadiyne linkages and the formation of a stable solid electrolyte interface layer are directly confirmed through the in situ Raman measurement. The GDY-NS-based sodium-ion batteries exhibit a stable reversible capacity of approximately 812 mAh g -1 at a current density of 0.05 A g -1 ; they maintain more than 405 mAh g -1 over 1000 cycles at a current density of 1 A g -1 . Furthermore, the sodium-ion capacitors could deliver a capacitance more than 200 F g -1 over 3000 cycles at 1 A g -1 and display an initial specific energy as high as 182.3 Wh kg -1 at a power density of 300 W kg -1 and maintain specific energy of 166 Wh kg -1 even at a power density of 15 000 W kg -1 . The high energy and power density along with excellent cyclic performance based on the GDY-NS anode offers a great potential toward application on next-generation energy storage devices.

Achieving Ultrahigh Energy Density and Long Durability in a Flexible Rechargeable Quasi-Solid-State Zn-MnO2 Battery.

PubMed

Zeng, Yinxiang; Zhang, Xiyue; Meng, Yue; Yu, Minghao; Yi, Jianan; Wu, Yiqiang; Lu, Xihong; Tong, Yexiang

2017-07-01

Advanced flexible batteries with high energy density and long cycle life are an important research target. Herein, the first paradigm of a high-performance and stable flexible rechargeable quasi-solid-state Zn-MnO 2 battery is constructed by engineering MnO 2 electrodes and gel electrolyte. Benefiting from a poly(3,4-ethylenedioxythiophene) (PEDOT) buffer layer and a Mn 2+ -based neutral electrolyte, the fabricated Zn-MnO 2 @PEDOT battery presents a remarkable capacity of 366.6 mA h g -1 and good cycling performance (83.7% after 300 cycles) in aqueous electrolyte. More importantly, when using PVA/ZnCl 2 /MnSO 4 gel as electrolyte, the as-fabricated quasi-solid-state Zn-MnO 2 @PEDOT battery remains highly rechargeable, maintaining more than 77.7% of its initial capacity and nearly 100% Coulombic efficiency after 300 cycles. Moreover, this flexible quasi-solid-state Zn-MnO 2 battery achieves an admirable energy density of 504.9 W h kg -1 (33.95 mW h cm -3 ), together with a peak power density of 8.6 kW kg -1 , substantially higher than most recently reported flexible energy-storage devices. With the merits of impressive energy density and durability, this highly flexible rechargeable Zn-MnO 2 battery opens new opportunities for powering portable and wearable electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Optimizing carbon/energy metabolism to enhance monellin production by Pichia pastoris].

PubMed

Huai, Qiangqiang; Jia, Luqiang; Ding, Jian; Chen, Shanshan; Sun, Jiaowen; Shi, Zhongping

2018-02-25

In heterologous protein productions by Pichia pastoris, methanol induction is generally initiated when cell density reaches very high level. However, this traditional strategy suffers with the problems of difficulty in DO control, toxic by-metabolites accumulation and low targeted protein titer. Therefore, initiating methanol induction at lower cell concentration is considered as an alternative strategy to overcome those problems. However, the methanol/energy regulation mechanisms of initiating induction at lower concentration are not clear and seldom reported. In this article, with monellin production as a prototype, we analyzed the methanol/energy metabolism in protein expression process using the strategies of initiating induction at both higher/lower cells concentrations. We attempted to interpret the advantages of the "alternative" strategy, via online measurements of methanol consumption, CO₂ production and O₂ uptake rates. When adopting this "alternative" strategy and maintaining temperature at 30 °C, carbon flux ratio directing into monellin precursors synthesis reached the highest level of 65%. In addition, monellin synthesis was completely associated with cell growth.

Nuclear ``pasta'' formation

NASA Astrophysics Data System (ADS)

Schneider, A. S.; Horowitz, C. J.; Hughto, J.; Berry, D. K.

2013-12-01

The formation of complex nonuniform phases of nuclear matter, known as nuclear pasta, is studied with molecular dynamics (MD) simulations containing 51200 nucleons. A phenomenological nuclear interaction is used that reproduces the saturation binding energy and density of nuclear matter. Systems are prepared at an initial density of 0.10fm-3 and then the density is decreased by expanding the simulation volume at different rates to densities of 0.01fm-3 or less. An originally uniform system of nuclear matter is observed to form spherical bubbles (“swiss cheese”), hollow tubes, flat plates (“lasagna”), thin rods (“spaghetti”) and, finally, nearly spherical nuclei with decreasing density. We explicitly observe nucleation mechanisms, with decreasing density, for these different pasta phase transitions. Topological quantities known as Minkowski functionals are obtained to characterize the pasta shapes. Different pasta shapes are observed depending on the expansion rate. This indicates nonequilibrium effects. We use this to determine the best ways to obtain lower energy states of the pasta system from MD simulations and to place constraints on the equilibration time of the system.

Hydrodynamic Flow Fluctuations in √sNN = 5:02 TeV PbPbCollisions

NASA Astrophysics Data System (ADS)

Castle, James R.

The collective, anisotropic expansion of the medium created in ultrarelativistic heavy-ion collisions, known as flow, is characterized through a Fourier expansion of the final-state azimuthal particle density. In the Fourier expansion, flow harmonic coefficients vn correspond to shape components in the final-state particle density, which are a consequence of similar spatial anisotropies in the initial-state transverse energy density of a collision. Flow harmonic fluctuations are studied for PbPb collisions at √sNN = 5.02 TeV using the CMS detector at the CERN LHC. Flow harmonic probability distributions p( vn) are obtained using particles with 0.3 < pT < 3.0 GeV/c and ∥eta∥ < 1.0 by removing finite-multiplicity resolution effects from the observed azimuthal particle density through an unfolding procedure. Cumulant elliptic flow harmonics (n = 2) are determined from the moments of the unfolded p(v2) distributions and used to construct observables in 5% wide centrality bins up to 60% that relate to the initial-state spatial anisotropy. Hydrodynamic models predict that fluctuations in the initial-state transverse energy density will lead to a non-Gaussian component in the elliptic flow probability distributions that manifests as a negative skewness. A statistically significant negative skewness is observed for all centrality bins as evidenced by a splitting between the higher-order cumulant elliptic flow harmonics. The unfolded p (v2) distributions are transformed assuming a linear relationship between the initial-state spatial anisotropy and final-state flow and are fitted with elliptic power law and Bessel Gaussian parametrizations to infer information on the nature of initial-state fluctuations. The elliptic power law parametrization is found to provide a more accurate description of the fluctuations than the Bessel-Gaussian parametrization. In addition, the event-shape engineering technique, where events are further divided into classes based on an observed ellipticity, is used to study fluctuation-driven differences in the initial-state spatial anisotropy for a given collision centrality that would otherwise be destroyed by event-averaging techniques. Correlations between the first and second moments of p( vn) distributions and event ellipticity are measured for harmonic orders n = 2 - 4 by coupling event-shape engineering to the unfolding technique.

Computational studies on the crystal structure, thermodynamic properties, detonation performance, and pyrolysis mechanism of 2,4,6,8-tetranitro-1,3,5,7-tetraazacubane as a novel high energy density material.

PubMed

Wang, Fang; Du, Hongchen; Zhang, Jianying; Gong, Xuedong

2011-10-27

Studies have suggested that octanitrocubane (ONC) is one of the most powerful non-nuclear high energy density material (HEDM) currently known. 2,4,6,8-Tetranitro-1,3,5,7-tetraazacubane (TNTAC) studied in this work may also be a novel HEDM due to its high nitrogen content and crystal density. Density functional theory and molecular mechanics methods have been employed to study the crystal structure, IR spectrum, electronic structure, thermodynamic properties, gas-phase and condensed-phase heat of formation, detonation performance, and pyrolysis mechanism of TNTAC. The TNTAC has a predicted density of about 2.12 g/cm(3), and its detonation velocity (10.42 km/s) and detonation pressure (52.82 GPa) are higher than that of ONC. The crystalline packing is P2(1)2(1)2(1), and the corresponding cell parameters are Z = 4, a = 8.87 Å, b = 8.87 Å, and c = 11.47 Å. Both the density of states of the predicted crystal and the bond dissociation energy of the molecule in gas phase show that the cage C-N bond is the trigger bond during thermolysis. The activation energy of the pyrolysis initiation reaction obtained from the B3LYP/6-311++G(2df,2p) level is 125.98 kJ/mol, which indicates that TNTAC meets the thermal stability request as an exploitable HEDM.

Strain controlled ferromagnetic-ferrimagnetic transition and vacancy formation energy of defective graphene.

PubMed

Zhang, Yajun; Sahoo, Mpk; Wang, Jie

2016-09-23

Single vacancy (SV)-induced magnetism in graphene has attracted much attention motivated by its potential in achieving new functionalities. However, a much higher vacancy formation energy limits its direct application in electronic devices and the dependency of spin interaction on the strain is unclear. Here, through first-principles density-functional theory calculations, we investigate the possibility of strain engineering towards lowering vacancy formation energy and inducing new magnetic states in defective graphene. It is found that the SV-graphene undergoes a phase transition from an initial ferromagnetic state to a ferrimagnetic state under a biaxial tensile strain. At the same time, the biaxial tensile strain significantly lowers the vacancy formation energy. The charge density, density of states and band theory successfully identify the origin and underlying physics of the transition. The predicted magnetic phase transition is attributed to the strain driven spin flipping at the C-atoms nearest to the SV-site. The magnetic semiconducting graphene induced by defect and strain engineering suggests an effective way to modulate both spin and electronic degrees of freedom in future spintronic devices.

Method using a density field for locating related items for data mining

DOEpatents

Wylie, Brian N.

2002-01-01

A method for locating related items in a geometric space transforms relationships among items to geometric locations. The method locates items in the geometric space so that the distance between items corresponds to the degree of relatedness. The method facilitates communication of the structure of the relationships among the items. The method makes use of numeric values as a measure of similarity between each pairing of items. The items are given initial coordinates in the space. An energy is then determined for each item from the item's distance and similarity to other items, and from the density of items assigned coordinates near the item. The distance and similarity component can act to draw items with high similarities close together, while the density component can act to force all items apart. If a terminal condition is not yet reached, then new coordinates can be determined for one or more items, and the energy determination repeated. The iteration can terminate, for example, when the total energy reaches a threshold, when each item's energy is below a threshold, after a certain amount of time or iterations.

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

NASA Astrophysics Data System (ADS)

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

2011-09-01

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

Non-aqueous hybrid supercapacitors fabricated with mesoporous TiO2 microspheres and activated carbon electrodes with superior performance

NASA Astrophysics Data System (ADS)

Cai, Yong; Zhao, Bote; Wang, Jie; Shao, Zongping

2014-05-01

Mesoporous TiO2 microspheres, synthesized by a facile template-free solvothermal method and subsequent heat treatment, are exploited as the electrode for hybrid supercapacitors. The effects of the calcination temperature on the phase composition, particulate microstructure and morphology are characterized by XRD, Raman, FE-SEM and N2 adsorption/desorption measurements. Hybrid supercapacitors utilizing the as-prepared TiO2 mesoporous microspheres as the negative electrode and activated carbon (AC) as the positive electrode in a non-aqueous electrolyte are fabricated. The electrochemical performance of these hybrid supercapacitors is studied by galvanostatic charge-discharge and cyclic voltammetry (CV). The hybrid supercapacitor built from TiO2 microspheres calcined at 400 °C shows the best performance, delivering an energy density of 79.3 Wh kg-1 at a power density of 178.1 W kg-1. Even at a power density of 9.45 kW kg-1, an energy density of 31.5 Wh kg-1 is reached. These values are much higher than the AC-AC symmetric supercapacitor. In addition, the hybrid supercapacitor exhibits excellent cycling performance, retaining 98% of the initial energy density after 1000 cycles. Such outstanding electrochemical performance of the hybrid supercapacitor is attributed to the matched reaction kinetics between the two electrodes with different energy storage mechanisms.

Two-dimensional angular energy spectrum of electrons accelerated by the ultra-short relativistic laser pulse

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

Borovskiy, A. V.; Galkin, A. L.; Department of Physics of MBF, Pirogov Russian National Research Medical University, 1 Ostrovitianov Street, Moscow 117997

The new method of calculating energy spectra of accelerated electrons, based on the parameterization by their initial coordinates, is proposed. The energy spectra of electrons accelerated by Gaussian ultra-short relativistic laser pulse at a selected angle to the axis of the optical system focusing the laser pulse in a low density gas are theoretically calculated. The two-peak structure of the electron energy spectrum is obtained. Discussed are the reasons for its appearance as well as an applicability of other models of the laser field.

The effect of laser focus and process parameters on microstructure and mechanical properties of SLM Inconel 718

NASA Astrophysics Data System (ADS)

Bean, Glenn E.; Witkin, David B.; McLouth, Tait D.; Zaldivar, Rafael J.

2018-02-01

Research on the selective laser melting (SLM) method of laser powder bed fusion additive manufacturing (AM) has shown that surface and internal quality of AM parts is directly related to machine settings such as laser energy density, scanning strategies, and atmosphere. To optimize laser parameters for improved component quality, the energy density is typically controlled via laser power, scanning rate, and scanning strategy, but can also be controlled by changing the spot size via laser focal plane shift. Present work being conducted by The Aerospace Corporation was initiated after observing inconsistent build quality of parts printed using OEM-installed settings. Initial builds of Inconel 718 witness geometries using OEM laser parameters were evaluated for surface roughness, density, and porosity while varying energy density via laser focus shift. Based on these results, hardware and laser parameter adjustments were conducted in order to improve build quality and consistency. Tensile testing was also conducted to investigate the effect of build plate location and laser settings on SLM 718. This work has provided insight into the limitations of OEM parameters compared with optimized parameters towards the goal of manufacturing aerospace-grade parts, and has led to the development of a methodology for laser parameter tuning that can be applied to other alloy systems. Additionally, evidence was found that for 718, which derives its strength from post-manufacturing heat treatment, there is a possibility that tensile testing may not be perceptive to defects which would reduce component performance. Ongoing research is being conducted towards identifying appropriate testing and analysis methods for screening and quality assurance.

The effect of stochastic re-acceleration on the energy spectrum of shock-accelerated protons

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

Afanasiev, Alexandr; Vainio, Rami; Kocharov, Leon

2014-07-20

The energy spectra of particles in gradual solar energetic particle (SEP) events do not always have a power-law form attributed to the diffusive shock acceleration mechanism. In particular, the observed spectra in major SEP events can take the form of a broken (double) power law. In this paper, we study the effect of a process that can modify the power-law spectral form produced by the diffusive shock acceleration: the stochastic re-acceleration of energetic protons by enhanced Alfvénic turbulence in the downstream region of a shock wave. There are arguments suggesting that this process can be important when the shock propagatesmore » in the corona. We consider a coronal magnetic loop traversed by a shock and perform Monte Carlo simulations of interactions of shock-accelerated protons with Alfvén waves in the loop. The wave-particle interactions are treated self-consistently, so the finiteness of the available turbulent energy is taken into account. The initial energy spectrum of particles is taken to be a power law. The simulations reveal that the stochastic re-acceleration leads either to the formation of a spectrum that is described in a wide energy range by a power law (although the resulting power-law index is different from the initial one) or to a broken power-law spectrum. The resulting spectral form is determined by the ratio of the energy density of shock-accelerated protons to the wave energy density in the shock's downstream region.« less

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Impact of atmospheric effects on the energy reconstruction of air showers observed by the surface detectors of the Pierre Auger Observatory

NASA Astrophysics Data System (ADS)

Aab, A.; Abreu, P.; Aglietta, M.; Samarai, I. Al; Albuquerque, I. F. M.; Allekotte, I.; Almela, A.; Alvarez Castillo, J.; Alvarez-Muñiz, J.; Anastasi, G. A.; Anchordoqui, L.; Andrada, B.; Andringa, S.; Aramo, C.; Arqueros, F.; Arsene, N.; Asorey, H.; Assis, P.; Aublin, J.; Avila, G.; Badescu, A. M.; Balaceanu, A.; Barreira Luz, R. J.; Baus, C.; Beatty, J. J.; Becker, K. H.; Bellido, J. A.; Berat, C.; Bertaina, M. E.; Bertou, X.; Biermann, P. L.; Billoir, P.; Biteau, J.; Blaess, S. G.; Blanco, A.; Blazek, J.; Bleve, C.; Boháčová, M.; Boncioli, D.; Bonifazi, C.; Borodai, N.; Botti, A. M.; Brack, J.; Brancus, I.; Bretz, T.; Bridgeman, A.; Briechle, F. L.; Buchholz, P.; Bueno, A.; Buitink, S.; Buscemi, M.; Caballero-Mora, K. S.; Caccianiga, L.; Cancio, A.; Canfora, F.; Caramete, L.; Caruso, R.; Castellina, A.; Cataldi, G.; Cazon, L.; Chavez, A. G.; Chinellato, J. A.; Chudoba, J.; Clay, R. W.; Colalillo, R.; Coleman, A.; Collica, L.; Coluccia, M. R.; Conceição, R.; Contreras, F.; Cooper, M. J.; Coutu, S.; Covault, C. E.; Criss, A.; Cronin, J.; D'Amico, S.; Daniel, B.; Dasso, S.; Daumiller, K.; Dawson, B. R.; de Almeida, R. M.; de Jong, S. J.; De Mauro, G.; de Mello Neto, J. R. T.; De Mitri, I.; de Oliveira, J.; de Souza, V.; Debatin, J.; Deligny, O.; Di Giulio, C.; Di Matteo, A.; Díaz Castro, M. L.; Diogo, F.; Dobrigkeit, C.; D'Olivo, J. C.; dos Anjos, R. C.; Dova, M. T.; Dundovic, A.; Ebr, J.; Engel, R.; Erdmann, M.; Erfani, M.; Escobar, C. O.; Espadanal, J.; Etchegoyen, A.; Falcke, H.; Farrar, G.; Fauth, A. C.; Fazzini, N.; Fick, B.; Figueira, J. M.; Filipčič, A.; Fratu, O.; Freire, M. M.; Fujii, T.; Fuster, A.; Gaior, R.; García, B.; Garcia-Pinto, D.; Gaté, F.; Gemmeke, H.; Gherghel-Lascu, A.; Ghia, P. L.; Giaccari, U.; Giammarchi, M.; Giller, M.; Głas, D.; Glaser, C.; Glass, H.; Golup, G.; Gómez Berisso, M.; Gómez Vitale, P. F.; González, N.; Gorgi, A.; Gorham, P.; Gouffon, P.; Grillo, A. F.; Grubb, T. D.; Guarino, F.; Guedes, G. P.; Hampel, M. R.; Hansen, P.; Harari, D.; Harrison, T. A.; Harton, J. L.; Hasankiadeh, Q.; Haungs, A.; Hebbeker, T.; Heck, D.; Heimann, P.; Herve, A. E.; Hill, G. C.; Hojvat, C.; Holt, E.; Homola, P.; Hörandel, J. R.; Horvath, P.; Hrabovský, M.; Huege, T.; Hulsman, J.; Insolia, A.; Isar, P. G.; Jandt, I.; Jansen, S.; Johnsen, J. A.; Josebachuili, M.; Kääpä, A.; Kambeitz, O.; Kampert, K. H.; Kasper, P.; Katkov, I.; Keilhauer, B.; Kemp, E.; Kemp, J.; Kieckhafer, R. M.; Klages, H. O.; Kleifges, M.; Kleinfeller, J.; Krause, R.; Krohm, N.; Kuempel, D.; Kukec Mezek, G.; Kunka, N.; Kuotb Awad, A.; LaHurd, D.; Lauscher, M.; Lebrun, P.; Legumina, R.; Leigui de Oliveira, M. A.; Letessier-Selvon, A.; Lhenry-Yvon, I.; Link, K.; Lopes, L.; López, R.; López Casado, A.; Luce, Q.; Lucero, A.; Malacari, M.; Mallamaci, M.; Mandat, D.; Mantsch, P.; Mariazzi, A. G.; Mariš, I. C.; Marsella, G.; Martello, D.; Martinez, H.; Martínez Bravo, O.; Masías Meza, J. J.; Mathes, H. J.; Mathys, S.; Matthews, J.; Matthews, J. A. J.; Matthiae, G.; Mayotte, E.; Mazur, P. O.; Medina, C.; Medina-Tanco, G.; Melo, D.; Menshikov, A.; Messina, S.; Micheletti, M. I.; Middendorf, L.; Minaya, I. A.; Miramonti, L.; Mitrica, B.; Mockler, D.; Mollerach, S.; Montanet, F.; Morello, C.; Mostafá, M.; Müller, A. L.; Müller, G.; Muller, M. A.; Müller, S.; Mussa, R.; Naranjo, I.; Nellen, L.; Neuser, J.; Nguyen, P. H.; Niculescu-Oglinzanu, M.; Niechciol, M.; Niemietz, L.; Niggemann, T.; Nitz, D.; Nosek, D.; Novotny, V.; Nožka, H.; Núñez, L. A.; Ochilo, L.; Oikonomou, F.; Olinto, A.; Pakk Selmi-Dei, D.; Palatka, M.; Pallotta, J.; Papenbreer, P.; Parente, G.; Parra, A.; Paul, T.; Pech, M.; Pedreira, F.; Pȩkala, J.; Pelayo, R.; Peña-Rodriguez, J.; Pereira, L. A. S.; Perlín, M.; Perrone, L.; Peters, C.; Petrera, S.; Phuntsok, J.; Piegaia, R.; Pierog, T.; Pieroni, P.; Pimenta, M.; Pirronello, V.; Platino, M.; Plum, M.; Porowski, C.; Prado, R. R.; Privitera, P.; Prouza, M.; Quel, E. J.; Querchfeld, S.; Quinn, S.; Ramos-Pollan, R.; Rautenberg, J.; Ravignani, D.; Revenu, B.; Ridky, J.; Risse, M.; Ristori, P.; Rizi, V.; Rodrigues de Carvalho, W.; Rodriguez Fernandez, G.; Rodriguez Rojo, J.; Rogozin, D.; Roncoroni, M. J.; Roth, M.; Roulet, E.; Rovero, A. C.; Ruehl, P.; Saffi, S. J.; Saftoiu, A.; Salazar, H.; Saleh, A.; Salesa Greus, F.; Salina, G.; Sanabria Gomez, J. D.; Sánchez, F.; Sanchez-Lucas, P.; Santos, E. M.; Santos, E.; Sarazin, F.; Sarkar, B.; Sarmento, R.; Sarmiento, C. A.; Sato, R.; Schauer, M.; Scherini, V.; Schieler, H.; Schimp, M.; Schmidt, D.; Scholten, O.; Schovánek, P.; Schröder, F. G.; Schulz, A.; Schulz, J.; Schumacher, J.; Sciutto, S. J.; Segreto, A.; Settimo, M.; Shadkam, A.; Shellard, R. C.; Sigl, G.; Silli, G.; Sima, O.; Śmiałkowski, A.; Šmída, R.; Snow, G. R.; Sommers, P.; Sonntag, S.; Sorokin, J.; Squartini, R.; Stanca, D.; Stanič, S.; Stasielak, J.; Stassi, P.; Strafella, F.; Suarez, F.; Suarez Durán, M.; Sudholz, T.; Suomijärvi, T.; Supanitsky, A. D.; Swain, J.; Szadkowski, Z.; Taboada, A.; Taborda, O. A.; Tapia, A.; Theodoro, V. M.; Timmermans, C.; Todero Peixoto, C. J.; Tomankova, L.; Tomé, B.; Torralba Elipe, G.; Torres Machado, D.; Torri, M.; Travnicek, P.; Trini, M.; Ulrich, R.; Unger, M.; Urban, M.; Valdés Galicia, J. F.; Valiño, I.; Valore, L.; van Aar, G.; van Bodegom, P.; van den Berg, A. M.; van Vliet, A.; Varela, E.; Vargas Cárdenas, B.; Varner, G.; Vázquez, J. R.; Vázquez, R. A.; Veberič, D.; Vergara Quispe, I. D.; Verzi, V.; Vicha, J.; Villaseñor, L.; Vorobiov, S.; Wahlberg, H.; Wainberg, O.; Walz, D.; Watson, A. A.; Weber, M.; Weindl, A.; Wiencke, L.; Wilczyński, H.; Winchen, T.; Wittkowski, D.; Wundheiler, B.; Yang, L.; Yelos, D.; Yushkov, A.; Zas, E.; Zavrtanik, D.; Zavrtanik, M.; Zepeda, A.; Zimmermann, B.; Ziolkowski, M.; Zong, Z.; Zuccarello, F.

2017-02-01

Atmospheric conditions, such as the pressure (P), temperature (T) or air density (ρ propto P/T), affect the development of extended air showers initiated by energetic cosmic rays. We study the impact of the atmospheric variations on the reconstruction of air showers with data from the arrays of surface detectors of the Pierre Auger Observatory, considering separately the one with detector spacings of 1500 m and the one with 750 m spacing. We observe modulations in the event rates that are due to the influence of the air density and pressure variations on the measured signals, from which the energy estimators are obtained. We show how the energy assignment can be corrected to account for such atmospheric effects.

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

PubMed Central

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

2017-01-01

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

Scaling relations for a needle-like electron beam plasma from the self-similar behavior in beam propagation

NASA Astrophysics Data System (ADS)

Bai, Xiaoyan; Chen, Chen; Li, Hong; Liu, Wandong; Chen, Wei

2017-10-01

Scaling relations of the main parameters of a needle-like electron beam plasma (EBP) to the initial beam energy, beam current, and discharge pressures are presented. The relations characterize the main features of the plasma in three parameter space and can provide great convenience in plasma design with electron beams. First, starting from the self-similar behavior of electron beam propagation, energy and charge depositions in beam propagation were expressed analytically as functions of the three parameters. Second, according to the complete coupled theoretical model of an EBP and appropriate assumptions, independent equations controlling the density and space charges were derived. Analytical expressions for the density and charges versus functions of energy and charge depositions were obtained. Finally, with the combination of the expressions derived in the above two steps, scaling relations of the density and potential to the three parameters were constructed. Meanwhile, numerical simulations were used to test part of the scaling relations.

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

Development of ultralight, super-elastic, hierarchical metallic meta-structures with i3DP technology

NASA Astrophysics Data System (ADS)

Zhang, Dongxing; Xiao, Junfeng; Moorlag, Carolyn; Guo, Qiuquan; Yang, Jun

2017-11-01

Lightweight and mechanically robust materials show promising applications in thermal insulation, energy absorption, and battery catalyst supports. This study demonstrates an effective method for creation of ultralight metallic structures based on initiator-integrated 3D printing technology (i3DP), which provides a possible platform to design the materials with the best geometric parameters and desired mechanical performance. In this study, ultralight Ni foams with 3D interconnected hollow tubes were fabricated, consisting of hierarchical features spanning three scale orders ranging from submicron to centimeter. The resultant materials can achieve an ultralight density of as low as 5.1 mg cm-3 and nearly recover after significant compression up to 50%. Due to a high compression ratio, the hierarchical structure exhibits superior properties in terms of energy absorption and mechanical efficiency. The relationship of structural parameters and mechanical response was established. The ability of achieving ultralight density <10 mg cm-3 and the stable \\bar{E}˜ {\\bar{ρ }}2 scaling through all range of relative density, indicates an advantage over the previous stochastic metal foams. Overall, this initiator-integrated 3D printing approach provides metallic structures with substantial benefits from the hierarchical design and fabrication flexibility to ultralight applications.

Low-density plasma formation in aqueous biological media using sub-nanosecond laser pulses

NASA Astrophysics Data System (ADS)

Genc, Suzanne L.; Ma, Huan; Venugopalan, Vasan

2014-08-01

We demonstrate the formation of low- and high-density plasmas in aqueous media using sub-nanosecond laser pulses delivered at low numerical aperture (NA = 0.25). We observe two distinct regimes of plasma formation in deionized water, phosphate buffered saline, Minimum Essential Medium (MEM), and MEM supplemented with phenol red. Optical breakdown is first initiated in a low-energy regime and characterized by bubble formation without plasma luminescence with threshold pulse energies in the range of Ep ≈ 4-5 μJ, depending on media formulation. The onset of this regime occurs over a very narrow interval of pulse energies and produces small bubbles (Rmax = 2-20 μm) due to a tiny conversion (η < 0.01%) of laser energy to bubble energy EB. The lack of visible plasma luminescence, sharp energy onset, and low bubble energy conversion are all hallmarks of low-density plasma (LDP) formation. At higher pulse energies (Ep = 11-20 μJ), the process transitions to a second regime characterized by plasma luminescence and large bubble formation. Bubbles formed in this regime are 1-2 orders of magnitude larger in size ( R max ≳ 100 μ m ) due to a roughly two-order-of-magnitude increase in bubble energy conversion (η ≳ 3%). These characteristics are consistent with high-density plasma formation produced by avalanche ionization and thermal runaway. Additionally, we show that supplementation of MEM with fetal bovine serum (FBS) limits optical breakdown to this high-energy regime. The ability to produce LDPs using sub-nanosecond pulses focused at low NA in a variety of cell culture media formulations without FBS can provide for cellular manipulation at high throughput with precision approaching that of femtosecond pulses delivered at high NA.

Coalescing neutron stars - a step towards physical models. I. Hydrodynamic evolution and gravitational-wave emission.

NASA Astrophysics Data System (ADS)

Ruffert, M.; Janka, H.-T.; Schaefer, G.

1996-07-01

We investigate the dynamics and evolution of coalescing neutron stars. The three-dimensional Newtonian equations of hydrodynamics are integrated by the "Piecewise Parabolic Method" on an equidistant Cartesian grid with a resolution of 64^3^ or 128^3^. Although the code is purely Newtonian, we do include the emission of gravitational waves and their backreaction on the hydrodynamic flow. The properties of neutron star matter are described by the physical equation of state of Lattimer & Swesty (1991). In addition to the fundamental hydrodynamic quantities, density, momentum, and energy, we follow the time evolution of the electron density in the stellar gas. Energy loss by all types of neutrinos and changes of the electron fraction due to the emission of electron neutrinos and antineutrinos are taken into account by an elaborate "neutrino leakage scheme". We simulate the coalescence of two identical, cool neutron stars with a baryonic mass of =~1.6Msun_ and a radius of =~15km and with an initial center-to-center distance of 42km. The initial distributions of density and electron concentration are given from a model of a cold neutron star in hydrostatic equilibrium, the temperature in our initial models is increased such that the thermal energy is about 3% of the degeneracy energy for given density and electron fraction (central temperature about 8MeV). We investigate three cases which differ by the initial velocity distribution in the neutron stars, representing different cases of the neutron star spins relative to the direction of the orbital angular momentum vector. The orbit decays due to gravitational-wave emission, and after half a revolution the stars are so close that dynamical instability sets in. Within about 1ms they merge into a rapidly spinning (P_spin_=~1ms), high-density body (ρ=~10^14^g/cm^3^) with a surrounding thick disk of material with densities ρ=~10^10^-10^12^g/cm^3^ and orbital velocities of 0.3-0.5c. In this work we evaluate the models in detail with respect to the gravitational wave emission using the quadrupole approximation. In a forthcoming paper we will concentrate on the neutrino emission and implications for gamma-ray bursters. The peak emission of gravitational waves is short but powerful. A maximum luminosity in excess of 10^55^erg/s is reached for about 1ms. The amplitudes of the gravitational waves are close to 3x10^-23^ at a distance of 1Gpc, and the typical frequencies are between 1KHz and 2KHz, near the dynamical frequency of the orbital motion of the merging and coalescing neutron stars. In contrast to the diverging gravitational wave amplitude of two coalescing point-masses, our models show decreasing amplitudes of the waves because of the finite extension of the neutron stars and the nearly spherical shape of the merged object toward the end of the simulations. The structure and temporal development of the gravitational wave signal and energy spectrum show systematic trends with the amount of angular momentum in the system and depend on the details of the hydrodynamic mass motions.

A study of accurate exchange-correlation functionals through adiabatic connection

NASA Astrophysics Data System (ADS)

Singh, Rabeet; Harbola, Manoj K.

2017-10-01

A systematic way of improving exchange-correlation energy functionals of density functional theory has been to make them satisfy more and more exact relations. Starting from the initial generalized gradient approximation (GGA) functionals, this has culminated into the recently proposed SCAN (strongly constrained and appropriately normed) functional that satisfies several known constraints and is appropriately normed. The ultimate test for the functionals developed is the accuracy of energy calculated by employing them. In this paper, we test these exchange-correlation functionals—the GGA hybrid functionals B3LYP and PBE0 and the meta-GGA functional SCAN—from a different perspective. We study how accurately these functionals reproduce the exchange-correlation energy when electron-electron interaction is scaled as αVee with α varying between 0 and 1. Our study reveals interesting comparison between these functionals and the associated difference Tc between the interacting and the non-interacting kinetic energy for the same density.

Strain energy density and surface layer energy for a crack-like ellipse

NASA Technical Reports Server (NTRS)

Kipp, M. E.; Sih, G. C.

1973-01-01

Some of the fundamental concepts of sharp crack fracture criteria are applied to cracks and narrow ellipses. The strain energy density theory is extended to notch boundaries, where the energy in a surface layer is calculated and the location of failure initiation is determined. The concept of a core region near the notch tip, and its consequences, are examined in detail. The example treated is that of an elliptical cavity loaded uniformly at a large distance from the hole, and at an angle to the hole; the results are shown to approach that of the crack solution for narrow ellipses, and to display quite satisfactory agreement with recently published experimental data under both tensile and compressive loading conditions. Results also indicate that in globally unstable configurations in brittle materials, the original loading and notch geometry are sufficient to predict the subsequent crack trajectory with considerable accuracy.

Efficient Supercapacitor Energy Storage Using Conjugated Microporous Polymer Networks Synthesized from Buchwald-Hartwig Coupling.

PubMed

Liao, Yaozu; Wang, Haige; Zhu, Meifang; Thomas, Arne

2018-03-01

Supercapacitors have received increasing interest as energy storage devices due to their rapid charge-discharge rates, high power densities, and high durability. In this work, novel conjugated microporous polymer (CMP) networks are presented for supercapacitor energy storage, namely 3D polyaminoanthraquinone (PAQ) networks synthesized via Buchwald-Hartwig coupling between 2,6-diaminoanthraquinone and aryl bromides. PAQs exhibit surface areas up to 600 m 2 g -1 , good dispersibility in polar solvents, and can be processed to flexible electrodes. The PAQs exhibit a three-electrode specific capacitance of 576 F g -1 in 0.5 m H 2 SO 4 at a current of 1 A g -1 retaining 80-85% capacitances and nearly 100% Coulombic efficiencies (95-98%) upon 6000 cycles at a current density of 2 A g -1 . Asymmetric two-electrode supercapacitors assembled by PAQs show a capacitance of 168 F g -1 of total electrode materials, an energy density of 60 Wh kg -1 at a power density of 1300 W kg -1 , and a wide working potential window (0-1.6 V). The asymmetric supercapacitors show Coulombic efficiencies up to 97% and can retain 95.5% of initial capacitance undergo 2000 cycles. This work thus presents novel promising CMP networks for charge energy storage. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

DOE PAGES

Mendl, Christian B.; Lu, Jianfeng; Lukkarinen, Jani

2016-12-02

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remainsmore » conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.« less

Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

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

Mendl, Christian B.; Lu, Jianfeng; Lukkarinen, Jani

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remainsmore » conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.« less

Subsonic and Supersonic shear flows in laser driven high-energy-density plasmas

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Gillespie, R. S.; Grosskopf, M. J.; Kuranz, C. C.; Visco, A.; Ditmar, J. R.; Aglitskiy, Y.; Weaver, J. L.; Velikovich, A. L.; Hurricane, O. A.; Hansen, J. F.; Remington, B. A.; Robey, H. F.; Bono, M. J.; Plewa, T.

2009-05-01

Shear flows arise in many high-energy-density (HED) and astrophysical systems, yet few laboratory experiments have been carried out to study their evolution in these extreme environments. Fundamentally, shear flows can initiate mixing via the Kelvin-Helmholtz (KH) instability and may eventually drive a transition to turbulence. We present two dedicated shear flow experiments that created subsonic and supersonic shear layers in HED plasmas. In the subsonic case the Omega laser was used to drive a shock wave along a rippled plastic interface, which subsequently rolled-upped into large KH vortices. In the supersonic shear experiment the Nike laser was used to drive Al plasma across a low-density foam surface also seeded with a ripple. Unlike the subsonic case, detached shocks developed around the ripples in response to the supersonic Al flow.

Experimental and modeling studies of ultrasound-assisted release of phenolics from oak chips into model wine.

PubMed

Tao, Yang; Zhang, Zhihang; Sun, Da-Wen

2014-09-01

The enhancement of release of oak-related compounds from oak chips during wine aging with oak chips may interest the winemaking industry. In this study, the 25-kHz ultrasound waves were used to intensify the mass transfer of phenolics from oak chips into a model wine. The influences of acoustic energy density (6.3-25.8 W/L) and temperature (15-25 °C) on the release kinetics of total phenolics were investigated systematically. The results exhibited that the total phenolic yield released was not affected by acoustic energy density significantly whereas it increased with the increase of temperature during sonication. Furthermore, to describe the mechanism of mass transfer of phenolics in model wine under ultrasonic field, the release kinetics of total phenolics was simulated by both a second-order kinetic model and a diffusion model. The modeling results revealed that the equilibrium concentration of total phenolics in model wine, the initial release rate and effective diffusivity of total phenolics generally increased with acoustic energy density and temperature. In addition, temperature had a negative effect on the second-order release rate constant whereas acoustic energy density had an opposite effect. Copyright © 2014 Elsevier B.V. All rights reserved.

Recoverable Wire-Shaped Supercapacitors with Ultrahigh Volumetric Energy Density for Multifunctional Portable and Wearable Electronics.

PubMed

Shi, Minjie; Yang, Cheng; Song, Xuefeng; Liu, Jing; Zhao, Liping; Zhang, Peng; Gao, Lian

2017-05-24

Wire-shaped supercapacitors (SCs) based on shape memory materials are of considerable interest for next-generation portable and wearable electronics. However, the bottleneck in this field is how to develop the devices with excellent electrochemical performance while well-maintaining recoverability and flexibility. Herein, a unique asymmetric electrode concept is put forward to fabricate smart wire-shaped SCs with ultrahigh energy density, which is realized by using porous carbon dodecahedra coated on NiTi alloy wire and flexible graphene fiber as yarn electrodes. Notably, the wire-shaped SCs not only exhibit high flexibility that can be readily woven into real clothing but also represent the available recoverable ability. When irreversible plastic deformations happen, the deformed shape of the devices can automatically resume the initial predesigned shape in a warm environment (about 35 °C). More importantly, the wire-shaped SCs act as efficient energy storage devices, which display high volumetric energy density (8.9 mWh/cm 3 ), volumetric power density (1080 mW/cm 3 ), strong durability in multiple mechanical states, and steady electrochemical behavior after repeated shape recovery processes. Considering their relative facile fabrication technology and excellent electrochemical performance, this asymmetric electrode strategy produced smart wire-shaped supercapacitors desirable for multifunctional portable and wearable electronics.

Multi-dimensional mesoscale simulations of detonation initiation in energetic materials with density-based kinetics

NASA Astrophysics Data System (ADS)

Jackson, Thomas Luther; Jost, Antoine M. D.; Zhang, Ju; Sridharan, Prashanth; Amadio, Guilherme

2018-03-01

In this work we present multi-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using density-based kinetics, while the deposition term is based on simulations of void collapse at the microscale, modelled at the mesoscale as hot spots. We carry out two- and three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that transition between no-detonation and detonation depends on the number density of the hot spots, the packing fraction, and the post-shock pressure of an imposed shock. In particular, we show that, for a fixed post-shock pressure, there exists a critical value of the number density of hot spots, such that when the number density is below this value a detonation wave will not develop. We highlight the importance of morphology to initiation by comparing with a homogeneous counterpart, and we compare relevant length scales by examining their corresponding power spectra. We also examine the effect of packing fraction and show that at low post-shock pressures there is significant variation in the initiation times, but that this variation disappears as the post-shock pressure is increased. Finally, we compare three-dimensional simulations with the experimental data, and show that the model is capable of qualitatively reproducing the trends shown in the data.

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

Saperstein, E. E., E-mail: saper@mbslab.kiae.ru; Tolokonnikov, S. V.

Recent results obtained on the basis of the self-consistent theory of finite Fermi systems by employing the energy density functional proposed by Fayans and his coauthors are surveyed. These results are compared with the predictions of Skyrme–Hartree–Fock theory involving several popular versions of the Skyrme energy density functional. Spherical nuclei are predominantly considered. The charge radii of even and odd nuclei and features of low-lying 2{sup +} excitations in semimagic nuclei are discussed briefly. The single-particle energies ofmagic nuclei are examined inmore detail with allowance for corrections to mean-field theory that are induced by particle coupling to low-lying collective surfacemore » excitations (phonons). The importance of taking into account, in this problem, nonpole (tadpole) diagrams, which are usually disregarded, is emphasized. The spectroscopic factors of magic and semimagic nuclei are also considered. In this problem, only the surface term stemming from the energy dependence induced in the mass operator by the exchange of surface phonons is usually taken into account. The volume contribution associated with the energy dependence initially present in the mass operator within the self-consistent theory of finite Fermi systems because of the exchange of high-lying particle–hole excitations is also included in the spectroscopic factor. The results of the first studies that employed the Fayans energy density functional for deformed nuclei are also presented.« less

Significantly Enhanced Energy Density in Nanocomposite Capacitors Combining the TiO2 Nanorod Array with Poly(vinylidene fluoride).

PubMed

Yao, Lingmin; Pan, Zhongbin; Liu, Shaohui; Zhai, Jiwei; Chen, Haydn H D

2016-10-05

A novel inorganic/polymer nanocomposite, using 1-dimensional TiO 2 nanorod array as fillers (TNA) and poly(vinylidene fluoride) (PVDF) as matrix, has been successfully synthesized for the first time. A carefully designed process sequence includes several steps with the initial epitaxial growth of highly oriented TNA on the fluorine-doped tin oxide (FTO) conductive glass. Subsequently, PVDF is embedded into the nanorods by the spin-coating method followed by annealing and quenching processes. This novel structure with dispersive fillers demonstrates a successful compromise between the electric displacement and breakdown strength, resulting in a dramatic increase in the electric polarization which leads to a significant improvement on the energy density and discharge efficiency. The nanocomposites with various height ratios of fillers between the TNA and total film thickness were investigated by us. The results show that nanocomposite with 18% height ratio fillers obtains maximum increase in the energy density (10.62 J cm -3 ) at a lower applied electric field of 340 MV m -1 , and it also illustrates a higher efficiency (>85%) under the electric field less than 100 MV m -1 . Even when the electric field reached 340 MV m -1 , the efficiency of nanocomposites can still maintained at ∼70%. This energy density exceeds most of the previously reported TiO 2 -based nanocomposite values at such a breakdown strength, which provides another promising design for the next generation of dielectric nanocomposite material, by using the highly oriented nanorod array as fillers for the higher energy density capacitors. Additionally, the finite element simulation has been employed to analyze the distribution of electric fields and electric flux density to explore the inherent mechanism of the higher performance of the TNA/PVDF nanocomposites.

High-energy lithium-ion hybrid supercapacitors composed of hierarchical urchin-like WO3/C anodes and MOF-derived polyhedral hollow carbon cathodes.

PubMed

Xu, Juan; Li, Yuanyuan; Wang, Lei; Cai, Qifa; Li, Qingwei; Gao, Biao; Zhang, Xuming; Huo, Kaifu; Chu, Paul K

2016-09-22

A lithium-ion hybrid supercapacitor (Li-HSC) comprising a Li-ion battery type anode and an electrochemical double layer capacitance (EDLC) type cathode has attracted much interest because it accomplishes a large energy density without compromising the power density. In this work, hierarchical carbon coated WO 3 (WO 3 /C) with a unique mesoporous structure and metal-organic framework derived nitrogen-doped carbon hollow polyhedra (MOF-NC) are prepared and adopted as the anode and the cathode for Li-HSCs. The hierarchical mesoporous WO 3 /C microspheres assembled by radially oriented WO 3 /C nanorods along the (001) plane enable effective Li + insertion, thus exhibit high capacity, excellent rate performance and a long cycling life due to their high Li + conductivity, electronic conductivity and structural robustness. The WO 3 /C structure shows a reversible specific capacity of 508 mA h g -1 at a 0.1 C rate (1 C = 696 mA h g -1 ) after 160 discharging-charging cycles with excellent rate capability. The MOF-NC achieved the specific capacity of 269.9 F g -1 at a current density of 0.2 A g -1 . At a high current density of 6 A g -1 , 92.4% of the initial capacity could be retained after 2000 discharging-charging cycles, suggesting excellent cycle stability. The Li-HSC comprising a WO 3 /C anode and a MOF-NC cathode boasts a large energy density of 159.97 W h kg -1 at a power density of 173.6 W kg -1 and 88.3% of the capacity is retained at a current density of 5 A g -1 after 3000 charging-discharging cycles, which are better than those previously reported for Li-HSCs. The high energy and power densities of the Li-HSCs of WO 3 /C//MOF-NC render large potential in energy storage.

The Impact of the Nuclear Equation of State in Core Collapse Supernovae

NASA Astrophysics Data System (ADS)

Baird, M. L.; Lentz, E. J.; Hix, W. R.; Mezzacappa, A.; Messer, O. E. B.; Liebendoerfer, M.; TeraScale Supernova Initiative Collaboration

2005-12-01

One of the key ingredients to the core collapse supernova mechanism is the physics of matter at or near nuclear density. Included in simulations as part of the Equation of State (EOS), nuclear repulsion experienced at high densities are responsible for the bounce shock, which initially causes the outer envelope of the supernova to expand, as well as determining the structure of the newly formed proto-neutron star. Recent years have seen renewed interest in this fundamental piece of supernova physics, resulting in several promising candidate EOS parameterizations. We will present the impact of these variations in the nuclear EOS using spherically symmetric, Newtonian and General Relativistic neutrino transport simulations of stellar core collapse and bounce. This work is supported in part by SciDAC grants to the TeraScale Supernovae Initiative from the DOE Office of Science High Energy, Nuclear, and Advanced Scientific Computing Research Programs. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for U.S. Department of Energy under contract DEAC05-00OR22725

Improved optical spectrophotometry of supernova remnants in M33

NASA Technical Reports Server (NTRS)

Blair, W. P.; Kirshner, R. P.

1985-01-01

Optical spectra of SNRs in M33 have been used to investigate abundance gradients and SNR evolution in this galaxy. Abundances of O, N, and S are derived from the spectra using new shock models by Dopita et al. (1984). The results for N and S show abundance gradients similar to those in NGC 300 and the Galaxy. The O abundances may be affected by possible contamination from H II regions and low-velocity shocks. Electron densities derived from the forbidden S II 6717 A/6731 A line ratio are used with a pressure equilibrium argument to estimate the initial explosion energy for each SNR. Evolutionary models for the remnants are investigated, and the distribution of the number of remnants with diameter is found to be consistent with free expansion of the SNRs to diameters of about 26 pc. The results may also be consistent with Sedov evolution if the ranges of initial supernova energies and surrounding interstellar medium densities are large enough.

Vorticity Transport and Wave Emission in the Protoplanetary Nebula

NASA Technical Reports Server (NTRS)

Davis, S. S.; DeVincenzi, Donald (Technical Monitor)

2001-01-01

Higher order numerical algorithms (4th order in time, 3rd order in space) are applied to the Euler/Energy equations and are used to examine vorticity transport and wave motion in a non-self gravitating, initially isentropic Keplerian disk. In this talk we will examine the response of the nebula to an isolated vortex with a circulation about equal to the rotation rate of Jupiter. The vortex is located on the 4 AU circle and the nebula is simulated from 1 to 24 AU. We show that the vortex emits pressure-supported density and Rossby-type wave packets before it decays within a few orbits. The acoustic density waves evolve into weak (non entropy preserving) shock waves that propagate over the entire disk. The Rossby waves remain in the vicinity of the initial vortex disturbance, but are rapidly damped. Temporal frequencies and spatial wavenumbers are derived using the simulation data and compared with analytical dispersion relations from the linearized Euler/Energy equations.

Anisotropic phase-mixing in homogeneous turbulence in a rapidly rotating or in a strongly stratified fluid: An analytical study

NASA Astrophysics Data System (ADS)

Salhi, A.; Cambon, C.

2007-05-01

Angular phase mixing in rapidly rotating or in strongly stratified flows is quantified for single-time single-point energy components, using linear theory. In addition to potential energy, turbulent kinetic energy is more easily analyzed in terms of its toroidal and poloidal components, and then in terms of vertical and horizontal components. Since the axial symmetry around the direction n (which bears both the system angular velocity and the mean density gradient) is consistent with basic dynamical equations, the input of initial anisotropy is investigated in the axisymmetric case. A general way to construct axisymmetric initial data is used, with a classical expansion in terms of scalar spherical harmonics for the 3D spectral density of kinetic energy e, and a modified expansion for the polarization anisotropy Z, which reflects the unbalance in terms of poloidal and toroidal energy components. The expansion involves Legendre polynomials of arbitrary order, P2n0(cosθ), (n=0,1,2,…,N0), in which the term [cosθ=(k•n)/∣k∣] characterizes the anisotropy in k-wavespace; two sets of parameters, β2n(e) and β2n(z), separately generate the directional anisotropy and the polarization anisotropy. In the rotating case, the phase mixing results in damping the polarization anisotropy, so that toroidal and poloidal energy components asymptotically equilibrate after transient oscillations. Complete analytical solutions are found in terms of Bessel functions. The envelope of these oscillations decay with time like (ft)-2 (f being the Coriolis parameter), whereas those for the vertical and horizontal components decay like (ft)-3. The long-time limit of the ratio of horizontal component to vertical one depends only on β2(e), which is eventually related to a classical component in structure-based modeling, independently of the degree of the expansion of the initial data. For the stratified case, both the degree of initial anisotropy and the initial unbalance in terms of potential and poloidal (or kinetic gravity wave) energy are investigated. The latter unbalance is characterized by a ratio χ /2, assuming initial proportionality between the kinetic energy spectrum and the potential energy one. The phase mixing yields asymptotic equipartition in terms of poloidal and potential energy components, and analytical solutions are found in terms of Weber functions. At large time, the damped oscillations for poloidal, potential and vertical components decay with time like (Nt)-1/2 (N is the buoyancy frequency), while the oscillations for the horizontal component decay with time like (Nt)-3/2. The long-time limit of the ratio of horizontal component to vertical one depends only on the parameters χ, β2(e), β0(z), β2(z), and β4(z).

Strain-Rate Dependence of Deformation-Twinning in Tantalum

NASA Astrophysics Data System (ADS)

Abeywardhana, Jayalath; Germann, Tim; Ravelo, Ramon

2017-06-01

Large-Scale molecular dynamics (MD) simulations are used to model quasi-isentropic compression and expansion (QIC) in tantalum crystals varying the rate of deformation between the range 108 -1012s-1 and compressive pressures up to 100 GPa. The atomic interactions were modeled employing an embedded-atom method (EAM) potential of Ta. Isentropic expansion was done employing samples initially compressed to pressures of 60 and 100 GPa followed by uniaxial and quasi-isentropically expansion to zero pressure. The effect of initial dislocation density on twinning was also examined by varying the initial defect density of the Ta samples (1010 -1012cm-2). At these high-strain rates, a threshold in strain-rate on deformation twining is observed. Under expansion or compression, deformation twinning increases with strain rate for strain-rates >109s-1 . Below this value, small fraction of twins nucleates but anneal out with time. Samples with lower fraction of twins equilibrate to defect states containing higher screw dislocation densities from those with initially higher twinning fractions. This work was supported by the Department of Energy under contract DE-AC52-06NA25396 and by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-12-1-0476.

Density-based kinetics for mesoscale simulations of detonation initiation in energetic materials

NASA Astrophysics Data System (ADS)

Jackson, Thomas Luther; Zhang, Ju

2017-07-01

In this work we present one- and two-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard 'Ignition and Growth' models. The deposition term is based on previous results of simulations of void collapse at the microscale, modelled at the mesoscale as hot spots. For an isolated hot spot in a homogeneous medium, it is found that a critical size of the hot spots exists. If the hot spots exceed the critical size, initiation of detonation can be achieved. For sub-critical hot-spot sizes, we show that it takes a collection of hot spots to achieve detonation. We also carry out two-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no detonation and detonation depends on the number density of the hot spots, the initial radius of the hot spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term.

Local control theory using trajectory surface hopping and linear-response time-dependent density functional theory.

PubMed

Curchod, Basile F E; Penfold, Thomas J; Rothlisberger, Ursula; Tavernelli, Ivano

2013-01-01

The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed. The method is applied to study the photoexcitation of lithium fluoride, for which we demonstrate that this approach can efficiently generate a pulse, on-the-fly, able to control the population transfer between two selected electronic states. Analysis of the computed control pulse yields insights into the photophysics of the process identifying the relevant frequencies associated to the curvature of the initial and final state potential energy curves and their energy differences. The limitations inherent to the use of the trajectory surface hopping approach are also discussed.

Reheating of the Universe as holographic thermalization

NASA Astrophysics Data System (ADS)

Kawai, Shinsuke; Nakayama, Yu

2016-08-01

Assuming gauge/gravity correspondence we study reheating of the Universe using its holographic dual. Inflaton decay and thermalisation of the decay products correspond to collapse of a spherical shell and formation of a blackhole in the dual anti-de Sitter (AdS) spacetime. The reheating temperature is computed as the Hawking temperature of the developed blackhole probed by a dynamical boundary, and is determined by the inflaton energy density and the AdS radius, with corrections from the dynamics of the shell collapse. For given initial energy density of the inflaton field the holographic model typically gives lower reheating temperature than the instant reheating scenario, while it is shown to be safely within phenomenological bounds.

Richtmyer-Meshkov evolution under steady shock conditions in the high-energy-density regime

DOE PAGES

Di Stefano, C. A.; Malamud, G.; Kuranz, C. C.; ...

2015-03-17

This work presents direct experimental evidence of long-predicted nonlinear aspects of the Richtmyer-Meshkov (RM) process, in which new modes first arise from the coupling of initially-present modes, and in which shorter-wavelength modes are eventually overtaken by longer-wavelength modes. This is accomplished using a technique we developed employing a long driving laser pulse to create a strong (Mach ~ 8) shock across a well-characterized material interface seeded by a two-mode sinusoidal perturbation. Furthermore, this technique further permits the shock to be sustained, without decay of the high-energy-density flow conditions, long enough for the system to evolve into the nonlinear phase.

Monochromatic radiography of high energy density physics experiments on the MAGPIE generator.

PubMed

Hall, G N; Burdiak, G C; Suttle, L; Stuart, N H; Swadling, G F; Lebedev, S V; Smith, R A; Patankar, S; Suzuki-Vidal, F; de Grouchy, P; Harvey-Thompson, A J; Bennett, M; Bland, S N; Pickworth, L; Skidmore, J

2014-11-01

A monochromatic X-ray backlighter based on Bragg reflection from a spherically bent quartz crystal has been developed for the MAGPIE pulsed power generator at Imperial College (1.4 MA, 240 ns) [I. H. Mitchell et al., Rev. Sci. Instrum. 67, 1533 (2005)]. This instrument has been used to diagnose high energy density physics experiments with 1.865 keV radiation (Silicon He-α) from a laser plasma source driven by a ∼7 J, 1 ns pulse from the Cerberus laser. The design of the diagnostic, its characterisation and performance, and initial results in which the instrument was used to radiograph a shock physics experiment on MAGPIE are discussed.

Sodium-ion hybrid electrolyte battery for sustainable energy storage applications

NASA Astrophysics Data System (ADS)

Senthilkumar, S. T.; Abirami, Mari; Kim, Junsoo; Go, Wooseok; Hwang, Soo Min; Kim, Youngsik

2017-02-01

Sustainable, safe, and low-cost energy storage systems are essential for large-scale electrical energy storage. Herein, we report a sodium (Na)-ion hybrid electrolyte battery with a replaceable cathode system, which is separated from the Na metal anode by a Na superionic conducting ceramic. By using a fast Na-ion-intercalating nickel hexacyanoferrate (NiHCF) cathode along with an eco-friendly seawater catholyte, we demonstrate good cycling performance with an average discharge voltage of 3.4 V and capacity retention >80% over 100 cycles and >60% over 200 cycle. Remarkably, such high capacity retention is observed for both the initial as well as replaced cathodes. Moreover, a Na-metal-free hybrid electrolyte battery containing hard carbon as the anode exhibits an energy density of ∼146 Wh kg-1 at a current density of 10 mA g-1, which is comparable to that of lead-acid batteries and much higher than that of conventional aqueous Na-ion batteries. These results pave the way for further advances in sustainable energy storage technology.

Global a priori estimates for the inhomogeneous Landau equation with moderately soft potentials

NASA Astrophysics Data System (ADS)

Cameron, Stephen; Silvestre, Luis; Snelson, Stanley

2018-05-01

We establish a priori upper bounds for solutions to the spatially inhomogeneous Landau equation in the case of moderately soft potentials, with arbitrary initial data, under the assumption that mass, energy and entropy densities stay under control. Our pointwise estimates decay polynomially in the velocity variable. We also show that if the initial data satisfies a Gaussian upper bound, this bound is propagated for all positive times.

Many-body localization of bosons in optical lattices

NASA Astrophysics Data System (ADS)

Sierant, Piotr; Zakrzewski, Jakub

2018-04-01

Many-body localization for a system of bosons trapped in a one-dimensional lattice is discussed. Two models that may be realized for cold atoms in optical lattices are considered. The model with a random on-site potential is compared with previously introduced random interactions model. While the origin and character of the disorder in both systems is different they show interesting similar properties. In particular, many-body localization appears for a sufficiently large disorder as verified by a time evolution of initial density wave states as well as using statistical properties of energy levels for small system sizes. Starting with different initial states, we observe that the localization properties are energy-dependent which reveals an inverted many-body localization edge in both systems (that finding is also verified by statistical analysis of energy spectrum). Moreover, we consider computationally challenging regime of transition between many body localized and extended phases where we observe a characteristic algebraic decay of density correlations which may be attributed to subdiffusion (and Griffiths-like regions) in the studied systems. Ergodicity breaking in the disordered Bose–Hubbard models is compared with the slowing-down of the time evolution of the clean system at large interactions.

Materials properties and dislocation dynamics in InAsP compositionally graded buffers on InP substrates

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

Jandl, Adam, E-mail: jandl@mit.edu; Bulsara, Mayank T.; Fitzgerald, Eugene A.

The properties of InAs{sub x}P{sub 1−x} compositionally graded buffers grown by metal organic chemical vapor deposition are investigated. We report the effects of strain gradient (ε/thickness), growth temperature, and strain initiation sequence (gradual or abrupt strain introduction) on threading dislocation density, surface roughness, epi-layer relaxation, and tilt. We find that gradual introduction of strain causes increased dislocation densities (>10{sup 6}/cm{sup 2}) and tilt of the epi-layer (>0.1°). A method of abrupt strain initiation is proposed which can result in dislocation densities as low as 1.01 × 10{sup 5} cm{sup −2} for films graded from the InP lattice constant to InAs{sub 0.15}P{sub 0.85}.more » A model for a two-energy level dislocation nucleation system is proposed based on our results.« less

Adsorption studies of volatile organic compounds on germanene nanotube emitted from banana fruit for quality assessment - A density functional application.

PubMed

Srimathi, U; Nagarajan, V; Chandiramouli, R

2018-06-01

We report the density functional application of adsorption behavior of volatile organic compounds (VOCs) emitted from the different ripening stages of banana fruit on germanene nanotube (GNT). Initially, the geometric structural stability of GNT is ascertained and the tunable electronic properties lead to the application of GNT as a base material in order to know the adsorption features of VOCs. We further explored the adsorption behavior of VOCs on to GNT through charge transfer, adsorption energy and band gap variation. The energy band structure and density of states (DOS) spectrum shows a noteworthy variation upon adsorption of different VOCs on to the GNT. Also, the electron density variation is noticed upon adsorption of VOCs emitted from the banana on to the GNT base material. Besides, the difference in the energy band gap of GNT upon emission of VOCs from banana leads to the use of GNT as a chemiresistor to assess fruit freshness with adsorption studies. Moreover, we suggest the use of GNT to discriminate the fruit freshness of banana through the adsorption process of VOCs on to GNT. Copyright © 2018 Elsevier Inc. All rights reserved.

The Riemann problem for the relativistic full Euler system with generalized Chaplygin proper energy density-pressure relation

NASA Astrophysics Data System (ADS)

Shao, Zhiqiang

2018-04-01

The relativistic full Euler system with generalized Chaplygin proper energy density-pressure relation is studied. The Riemann problem is solved constructively. The delta shock wave arises in the Riemann solutions, provided that the initial data satisfy some certain conditions, although the system is strictly hyperbolic and the first and third characteristic fields are genuinely nonlinear, while the second one is linearly degenerate. There are five kinds of Riemann solutions, in which four only consist of a shock wave and a centered rarefaction wave or two shock waves or two centered rarefaction waves, and a contact discontinuity between the constant states (precisely speaking, the solutions consist in general of three waves), and the other involves delta shocks on which both the rest mass density and the proper energy density simultaneously contain the Dirac delta function. It is quite different from the previous ones on which only one state variable contains the Dirac delta function. The formation mechanism, generalized Rankine-Hugoniot relation and entropy condition are clarified for this type of delta shock wave. Under the generalized Rankine-Hugoniot relation and entropy condition, we establish the existence and uniqueness of solutions involving delta shocks for the Riemann problem.

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

Akkelin, S.V.; Sinyukov, Yu.M.

A method allowing analysis of the overpopulation of phase space in heavy ion collisions in a model-independent way is proposed within the hydrodynamic approach. It makes it possible to extract a chemical potential of thermal pions at freeze-out, irrespective of the form of freeze-out (isothermal) hypersurface in Minkowski space and transverse flows on it. The contributions of resonance (with masses up to 2 GeV) decays to spectra, interferometry volumes, and phase-space densities are calculated and discussed in detail. The estimates of average phase-space densities and chemical potentials of thermal pions are obtained for SPS and RHIC energies. They demonstrate thatmore » multibosonic phenomena at those energies might be considered as a correction factor rather than as a significant physical effect. The analysis of the evolution of the pion average phase-space density in chemically frozen hadron systems shows that it is almost constant or slightly increases with time while the particle density and phase-space density at each space point decreases rapidly during the system's expansion. We found that, unlike the particle density, the average phase-space density has no direct link to the freeze-out criterion and final thermodynamic parameters, being connected rather to the initial phase-space density of hadronic matter formed in relativistic nucleus-nucleus collisions.« less

Modeling of energy buildup for a flare-productive region

NASA Technical Reports Server (NTRS)

Wu, S. T.; Krall, K. R.; Hu, Y. Q.; Hagyard, M. J.; Smith, J. B., Jr.

1984-01-01

A self-consistent MHD model of shearing magnetic loops is used to investigate magnetic energy buildup in active region AR 2372 (Boulder number), in the period of April 5-7, 1980. The magnetic field and sunspot motions in this region, derived using observational data obtained by the Marshall Space Flight Center Solar Observatory, suggest the initial boundary conditions for the model. It is found that the plasma parameters (i.e., density, temperature, and plasma flow velocity) do not change appreciably during the process of energy buildup as the magnetic loops are sheared. Thus, almost all of the added energy is stored in the magnetic field. Furthermore, it is shown that dynamical processes are not important during a slow buildup (i.e., for a shearing velocity less than 1 km/s). Finally, it is concluded that the amount of magnetic energy stored and the location of this stored magnetic energy depend on the initial magnetic field (whether potential or sheared) and the magnitude of the shearing motion.

Effectiveness of the use of LLLT on disorders of the maxillofacial region

NASA Astrophysics Data System (ADS)

Soares, Luiz G. P.; Carvalho, Carolina M.; Marques, Aparecida M. C.; Cangussú, Maria Cristina T.; Pinheiro, Antônio L. B.

2012-03-01

Dentistry has traditionally depended on science and technology for improvement of diagnostic tools and treatment options. The impact of using light sources in clinical Dentistry has been significantly higher than in clinical Medicine and Surgery. Light sources have been used as a therapeutic agent for many centuries. The major use of light for therapeutic applications in health care sciences was noticeably initiated after the development of lasers in 1960. The aim of this study was to evaluate the effectiveness of LLLT on treating disorders of the maxillofacial region. For this, the records of patients treated at the Laser Center of the School of Dentistry of the Federal University of Bahia were revised. We analyzed 867 treatment cycles in 572 patients. The mean age of the patients was 53.5 years old, most were females. Majority of them complained of some pain. G50.0 and K07.6 were the most frequent diagnostics. The mean energy density per session was 18.36 +/- 14.6 J/cm2 and mean treatment one 176.4 +/- 132.4 J/cm2. IR laser was the most frequently used wavelength. Most patients were asymptomatic or improved at discharge. Improved or asymptomatic patients had a mean age of 50.9 years old. For these, the mean number of sessions was 13, the total mean session energy density was 16.6 J/cm2 and mean total energy density treatment was 169.5 J/cm2. For symptomatic patients, the mean age was 56.4 years old. The mean number of sessions was 10. The mean energy density per session on these patients was 20.6 J/cm2 and mean total treatment energy density was 210.9 J/cm2. 55.34% of the patients were asymptomatic or improved at discharge. For these, the mean number of sessions was 13, the total mean session energy density was 16.6 J/cm2 and mean total energy density treatment was 169.5 J/cm2. For symptomatic patients, the mean age was 56.4 years old. The mean number of sessions was 10. The mean energy density per session on these patients was 20.6 J/cm2 and mean total treatment energy density was 210.9 J/cm2. The results of this study are indicative that the use of LLLT for treating different disorders of the maxillofacial region is effective and well accepted by the patients.

Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states

NASA Astrophysics Data System (ADS)

Alam, Md. Mehboob; Deur, Killian; Knecht, Stefan; Fromager, Emmanuel

2017-11-01

The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in this work to ghost-interaction-corrected (GIC) range-separated ensemble density-functional theory (eDFT) for excited states. While standard extrapolations rely on energies that decay as μ-2 in the large range-separation-parameter μ limit, we show analytically that (approximate) range-separated GIC ensemble energies converge more rapidly (as μ-3) towards their pure wavefunction theory values (μ → +∞ limit), thus requiring a different extrapolation correction. The purpose of such a correction is to further improve on the convergence and, consequently, to obtain more accurate excitation energies for a finite (and, in practice, relatively small) μ value. As a proof of concept, we apply the extrapolation method to He and small molecular systems (viz., H2, HeH+, and LiH), thus considering different types of excitations such as Rydberg, charge transfer, and double excitations. Potential energy profiles of the first three and four singlet Σ+ excitation energies in HeH+ and H2, respectively, are studied with a particular focus on avoided crossings for the latter. Finally, the extraction of individual state energies from the ensemble energy is discussed in the context of range-separated eDFT, as a perspective.

Impact of atmospheric effects on the energy reconstruction of air showers observed by the surface detectors of the Pierre Auger Observatory

DOE PAGES

Aab, A.; Abreu, P.; Aglietta, M.; ...

2017-02-07

Atmospheric conditions, such as the pressure (P), temperature (T) or air density (more » $$\\rho \\propto P/T$$), affect the development of extended air showers initiated by energetic cosmic rays. We study the impact of the atmospheric variations on the reconstruction of air showers with data from the arrays of surface detectors of the Pierre Auger Observatory, considering separately the one with detector spacings of 1500 m and the one with 750 m spacing. We observe modulations in the event rates that are due to the influence of the air density and pressure variations on the measured signals, from which the energy estimators are obtained. Lastly, we show how the energy assignment can be corrected to account for such atmospheric effects.« less

Hybrid sp2+sp3 carbon phases created from carbon nanotubes

NASA Astrophysics Data System (ADS)

Tingaev, M. I.; Belenkov, E. A.

2017-11-01

Using the density functional theory in the gradient approximation (DFT-GGA) methods was calculated the geometrically optimized structure and electronic properties for six new hybrid carbon phases. These hybrid phases consists of atoms in three - and four-coordinated (sp2+sp3-hybridized) states. The initial structure of the carbon phases was constructed by partial cross-linking of (8,0) carbon nanotube bundles. Sublimation energies calculated for hybrid phases above the sublimation energy of cubic diamond, however, fall into the range of values typical for carbon materials, which are stable under normal conditions. The density of electronic states at the Fermi energy for the two phases is non-zero and these phases should have metallic properties. The other hybrid phases should be semiconductors with a band gap from 0.5 to 1.1 eV.

Impact of atmospheric effects on the energy reconstruction of air showers observed by the surface detectors of the Pierre Auger Observatory

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

Aab, A.; Abreu, P.; Aglietta, M.

Atmospheric conditions, such as the pressure (P), temperature (T) or air density (more » $$\\rho \\propto P/T$$), affect the development of extended air showers initiated by energetic cosmic rays. We study the impact of the atmospheric variations on the reconstruction of air showers with data from the arrays of surface detectors of the Pierre Auger Observatory, considering separately the one with detector spacings of 1500 m and the one with 750 m spacing. We observe modulations in the event rates that are due to the influence of the air density and pressure variations on the measured signals, from which the energy estimators are obtained. Lastly, we show how the energy assignment can be corrected to account for such atmospheric effects.« less

Quantum mechanical energy-based screening of combinatorially generated library of tautomers. TauTGen: a tautomer generator program.

PubMed

Harańczyk, Maciej; Gutowski, Maciej

2007-01-01

We describe a procedure of finding low-energy tautomers of a molecule. The procedure consists of (i) combinatorial generation of a library of tautomers, (ii) screening based on the results of geometry optimization of initial structures performed at the density functional level of theory, and (iii) final refinement of geometry for the top hits at the second-order Möller-Plesset level of theory followed by single-point energy calculations at the coupled cluster level of theory with single, double, and perturbative triple excitations. The library of initial structures of various tautomers is generated with TauTGen, a tautomer generator program. The procedure proved to be successful for these molecular systems for which common chemical knowledge had not been sufficient to predict the most stable structures.

Dynamics of a spherically symmetric inhomogeneous coupled dark energy model with coupling term proportional to non relatvistic matter

NASA Astrophysics Data System (ADS)

Izquierdo, Germán; Blanquet-Jaramillo, Roberto C.; Sussman, Roberto A.

2018-01-01

The quasi-local scalar variables approach is applied to a spherically symmetric inhomogeneous Lemaître-Tolman-Bondi metric containing a mixture of non-relativistic cold dark matter and coupled dark energy with constant equation of state. The quasi-local coupling term considered is proportional to the quasi-local cold dark matter energy density and a quasi-local Hubble factor-like scalar via a coupling constant α . The autonomous numerical system obtained from the evolution equations is classified for different choices of the free parameters: the adiabatic constant of the dark energy w and α . The presence of a past attractor in a non-physical region of the energy densities phase-space of the system makes the coupling term non physical when the energy flows from the matter to the dark energy in order to avoid negative values of the dark energy density in the past. On the other hand, if the energy flux goes from dark energy to dark matter, the past attractor lies in a physical region. The system is also numerically solved for some interesting initial profiles leading to different configurations: an ever expanding mixture, a scenario where the dark energy is completely consumed by the non-relativistic matter by means of the coupling term, a scenario where the dark energy disappears in the inner layers while the outer layers expand as a mixture of both sources, and, finally, a structure formation toy model scenario, where the inner shells containing the mixture collapse while the outer shells expand.

Mixed state dynamical quantum phase transitions

NASA Astrophysics Data System (ADS)

Bhattacharya, Utso; Bandyopadhyay, Souvik; Dutta, Amit

2017-11-01

Preparing an integrable system in a mixed state described by a thermal density matrix, we subject it to a sudden quench and explore the subsequent unitary dynamics. To address the question of whether the nonanalyticities, namely, the dynamical quantum phase transitions (DQPTs), persist when the initial state is mixed, we consider two versions of the generalized Loschmidt overlap amplitude (GLOA). Our study shows that the GLOA constructed using the Uhlmann approach does not show any signature of DQPTs at any nonzero initial temperature. On the other hand, a GLOA defined in the interferometric phase approach through the purifications of the time-evolved density matrix, indeed shows that nonanalyiticies in the corresponding "dynamical free-energy density" persist, thereby establishing the existence of mixed state dynamical quantum phase transitions (MSDQPTs). Our work provides a framework that perfectly reproduces both the nonanalyticities and also the emergent topological structure in the pure state limit. These claims are corroborated by analyzing the nonequilibrium dynamics of a transverse Ising chain initially prepared in a thermal state and subjected to a sudden quench of the transverse field.

Computational Modeling of Causal Mechanisms of Blast Wave Induced Traumatic Brain Injury - A Potential Tool for Injury Prevention

DTIC Science & Technology

2009-10-01

detonation and expansion of the TNT explosive materials was described using the JWL (Jones-Wilkins-Lee) equation of state (EOS) along with a high...explosive material definition (Dobratz 1981). The JWL equation is described as: Where V= ρ0 (initial density of an explosive)/ρ (density of detonation...gas). E is specific internal energy. A, B, R1, R2, ω are JWL fitting parameters (Table 2). ρ0 Detonation velocity CJ pressure Material

Artificial biomembrane morphology: a dissipative particle dynamics study.

PubMed

Becton, Matthew; Averett, Rodney; Wang, Xianqiao

2017-09-18

Artificial membranes mimicking biological structures are rapidly breaking new ground in the areas of medicine and soft-matter physics. In this endeavor, we use dissipative particle dynamics simulation to investigate the morphology and behavior of lipid-based biomembranes under conditions of varied lipid density and self-interaction. Our results show that a less-than-normal initial lipid density does not create the traditional membrane; but instead results in the formation of a 'net', or at very low densities, a series of disparate 'clumps' similar to the micelles formed by lipids in nature. When the initial lipid density is high, a membrane forms, but due to the large number of lipids, the naturally formed membrane would be larger than the simulation box, leading to 'rippling' behavior as the excess repulsive force of the membrane interior overcomes the bending energy of the membrane. Once the density reaches a certain point however, 'bubbles' appear inside the membrane, reducing the rippling behavior and eventually generating a relatively flat, but thick, structure with micelles of water inside the membrane itself. Our simulations also demonstrate that the interaction parameter between individual lipids plays a significant role in the formation and behavior of lipid membrane assemblies, creating similar structures as the initial lipid density distribution. This work provides a comprehensive approach to the intricacies of lipid membranes, and offers a guideline to design biological or polymeric membranes through self-assembly processes as well as develop novel cellular manipulation and destruction techniques.

Calculation of phonon dispersion relation using new correlation functional

NASA Astrophysics Data System (ADS)

Jitropas, Ukrit; Hsu, Chung-Hao

2017-06-01

To extend the use of Local Density Approximation (LDA), a new analytical correlation functional is introduced. Correlation energy is an essential ingredient within density functional theory and used to determine ground state energy and other properties including phonon dispersion relation. Except for high and low density limit, the general expression of correlation energy is unknown. The approximation approach is therefore required. The accuracy of the modelling system depends on the quality of correlation energy approximation. Typical correlation functionals used in LDA such as Vosko-Wilk-Nusair (VWN) and Perdew-Wang (PW) were obtained from parameterizing the near-exact quantum Monte Carlo data of Ceperley and Alder. These functionals are presented in complex form and inconvenient to implement. Alternatively, the latest published formula of Chachiyo correlation functional provides a comparable result for those much more complicated functionals. In addition, it provides more predictive power based on the first principle approach, not fitting functionals. Nevertheless, the performance of Chachiyo formula for calculating phonon dispersion relation (a key to the thermal properties of materials) has not been tested yet. Here, the implementation of new correlation functional to calculate phonon dispersion relation is initiated. The accuracy and its validity will be explored.

LCOE Baseline for OE Buoy

DOE Data Explorer

Previsic, Mirko; Karthikeyan, Anantha; Lewis, Tony; McCarthy, John

2017-07-26

Capex numbers are in $/kW, Opex numbers in $/kW-yr. Cost Estimates provided herein are based on concept design and basic engineering data and have high levels of uncertainties embedded. This reference economic scenario was done for a very large device version of the OE Buoy technology, which is not presently on Ocean Energy's technology development pathway but will be considered in future business plan development. The DOE reference site condition is considered a low power-density site, compared with many of the planned initial deployment locations for the OE Buoy. Many of the sites considered for the initial commercial deployment of the OE buoy feature much higher wave power densities and shorter period waves. Both of these characteristics will improve the OE buoy's commercial viability.

Energy Budget of Forming Clumps in Numerical Simulations of Collapsing Clouds

NASA Astrophysics Data System (ADS)

Camacho, Vianey; Vázquez-Semadeni, Enrique; Ballesteros-Paredes, Javier; Gómez, Gilberto C.; Fall, S. Michael; Mata-Chávez, M. Dolores

2016-12-01

We analyze the physical properties and energy balance of density enhancements in two SPH simulations of the formation, evolution, and collapse of giant molecular clouds. In the simulations, no feedback is included, so all motions are due either to the initial decaying turbulence or to gravitational contraction. We define clumps as connected regions above a series of density thresholds. The resulting full set of clumps follows the generalized energy equipartition relation, {σ }v/{R}1/2\\propto {{{Σ }}}1/2, where {σ }v is the velocity dispersion, R is the “radius,” and Σ is the column density. We interpret this as a natural consequence of gravitational contraction at all scales rather than virial equilibrium. Nevertheless, clumps with low Σ tend to show a large scatter around equipartition. In more than half of the cases, this scatter is dominated by external turbulent compressions that assemble the clumps rather than by small-scale random motions that would disperse them. The other half does actually disperse. Moreover, clump sub-samples selected by means of different criteria exhibit different scalings. Sub-samples with narrow Σ ranges follow Larson-like relations, although characterized by their respective values of Σ. Finally, we find that (I) clumps lying in filaments tend to appear sub-virial, (II) high-density cores (n≥slant {10}5 cm3) that exhibit moderate kinetic energy excesses often contain sink (“stellar”) particles and the excess disappears when the stellar mass is taken into account in the energy balance, and (III) cores with kinetic energy excess but no stellar particles are truly in a state of dispersal.

Self-similar solutions to isothermal shock problems

NASA Astrophysics Data System (ADS)

Deschner, Stephan C.; Illenseer, Tobias F.; Duschl, Wolfgang J.

We investigate exact solutions for isothermal shock problems in different one-dimensional geometries. These solutions are given as analytical expressions if possible, or are computed using standard numerical methods for solving ordinary differential equations. We test the numerical solutions against the analytical expressions to verify the correctness of all numerical algorithms. We use similarity methods to derive a system of ordinary differential equations (ODE) yielding exact solutions for power law density distributions as initial conditions. Further, the system of ODEs accounts for implosion problems (IP) as well as explosion problems (EP) by changing the initial or boundary conditions, respectively. Taking genuinely isothermal approximations into account leads to additional insights of EPs in contrast to earlier models. We neglect a constant initial energy contribution but introduce a parameter to adjust the initial mass distribution of the system. Moreover, we show that due to this parameter a constant initial density is not allowed for isothermal EPs. Reasonable restrictions for this parameter are given. Both, the (genuinely) isothermal implosion as well as the explosion problem are solved for the first time.

The effect of a longitudinal density gradient on electron plasma wake field acceleration

NASA Astrophysics Data System (ADS)

Tsiklauri, David

2016-12-01

Three-dimensional, particle-in-cell, fully electromagnetic simulations of electron plasma wake field acceleration in the blow-out regime are presented. Earlier results are extended by (i) studying the effect of a longitudinal density gradient, (ii) avoiding the use of a co-moving simulation box, (iii) inclusion of ion motion, and (iv) studying fully electromagnetic plasma wake fields. It is established that injecting driving and trailing electron bunches into a positive density gradient of 10-fold increasing density over 10 cm long lithium vapour plasma results in spatially more compact and three times larger, compared with the uniform density case, electric fields (-6.4×1010 V m-1), leading to acceleration of the trailing bunch up to 24.4 GeV (starting from an initial 20.4 GeV), with energy transfer efficiencies from the leading to trailing bunch of 75%. In the uniform density case, a -2.5×1010 V m-1 wake is created leading to acceleration of the trailing bunch up to 22.4 GeV, with energy transfer efficiencies of 65%. It is also established that injecting the electron bunches into a negative density gradient of 10-fold decreasing density over 10 cm long plasma results in spatially more spread and two and a half smaller electric fields (-1.0×1010 V m-1), leading to a weaker acceleration of the trailing bunch up to 21.4 GeV, with energy transfer efficiencies of 45%. Taking ion motions into consideration shows that in the plasma wake ion number density can increase over a few times the background value. It is also shown that transverse electromagnetic fields in a plasma wake are of the same order as the longitudinal (electrostatic) ones.

Novel Quaternary Chalcogenide/Reduced Graphene Oxide-Based Asymmetric Supercapacitor with High Energy Density.

PubMed

Sarkar, Samrat; Howli, Promita; Das, Biswajit; Das, Nirmalya Sankar; Samanta, Madhupriya; Das, G C; Chattopadhyay, K K

2017-07-12

In this work we have synthesized quaternary chalcogenide Cu 2 NiSnS 4 (QC) nanoparticles grown in situ on 2D reduced graphene oxide (rGO) for application as anode material of solid-state asymmetric supercapacitors (ASCs). Thorough characterization of the synthesized composite validates the proper phase, stoichiometry, and morphology. Detailed electrochemical study of the electrode materials and ASCs has been performed. The as-fabricated device delivers an exceptionally high areal capacitance (655.1 mF cm -2 ), which is much superior to that of commercial micro-supercapacitors. Furthermore, a remarkable volumetric capacitance of 16.38 F cm -3 is obtained at a current density of 5 mA cm -2 combined with a very high energy density of 5.68 mW h cm -3 , which is comparable to that of commercially available lithium thin film batteries. The device retains 89.2% of the initial capacitance after running for 2000 cycles, suggesting its long-term capability. Consequently, the enhanced areal and volumetric capacitances combined with decent cycle stability and impressive energy density endow the uniquely decorated QC/rGO composite material as a promising candidate in the arena of energy storage devices. Moreover, Cu 2 NiSnS 4 being a narrow band gap photovoltaic material, this work offers a novel protocol for the development of self-charging supercapacitors in the days to come.

Layered-MnO₂ Nanosheet Grown on Nitrogen-Doped Graphene Template as a Composite Cathode for Flexible Solid-State Asymmetric Supercapacitor.

PubMed

Liu, Yongchuan; Miao, Xiaofei; Fang, Jianhui; Zhang, Xiangxin; Chen, Sujing; Li, Wei; Feng, Wendou; Chen, Yuanqiang; Wang, Wei; Zhang, Yining

2016-03-02

Flexible solid-state supercapacitors provide a promising energy-storage alternative for the rapidly growing flexible and wearable electronic industry. Further improving device energy density and developing a cheap flexible current collector are two major challenges in pushing the technology forward. In this work, we synthesize a nitrogen-doped graphene/MnO2 nanosheet (NGMn) composite by a simple hydrothermal method. Nitrogen-doped graphene acts as a template to induce the growth of layered δ-MnO2 and improves the electronic conductivity of the composite. The NGMn composite exhibits a large specific capacitance of about 305 F g(-1) at a scan rate of 5 mV s(-1). We also create a cheap and highly conductive flexible current collector using Scotch tape. Flexible solid-state asymmetric supercapacitors are fabricated with NGMn cathode, activated carbon anode, and PVA-LiCl gel electrolyte. The device can achieve a high operation voltage of 1.8 V and exhibits a maximum energy density of 3.5 mWh cm(-3) at a power density of 0.019 W cm(-3). Moreover, it retains >90% of its initial capacitance after 1500 cycles. Because of its flexibility, high energy density, and good cycle life, NGMn-based flexible solid state asymmetric supercapacitors have great potential for application in next-generation portable and wearable electronics.

The stabilizing effect of compressibility in turbulent shear flow

NASA Technical Reports Server (NTRS)

Sarkar, S.

1994-01-01

Direct numerical simulation of turbulent homogeneous shear flow is performed in order to clarify compressibility effects on the turbulence growth in the flow. The two Mach numbers relevant to homogeneous shear flow are the turbulent Mach number M(t) and the gradient Mach number M(g). Two series of simulations are performed where the initial values of M(g) and M(t) are increased separately. The growth rate of turbulent kinetic energy is observed to decrease in both series of simulations. This 'stabilizing' effect of compressibility on the turbulent energy growth rate is observed to be substantially larger in the DNS series where the initial value of M(g) is changed. A systematic companion of the different DNS cues shows that the compressibility effect of reduced turbulent energy growth rate is primarily due to the reduced level of turbulence production and not due to explicit dilatational effects. The reduced turbulence production is not a mean density effect since the mean density remains constant in compressible homogeneous shear flow. The stabilizing effect of compressibility on the turbulence growth is observed to increase with the gradient Mach number M(g) in the homogeneous shear flow DNS. Estimates of M(g) for the mixing and the boundary layer are obtained. These estimates show that the parameter M(g) becomes much larger in the high-speed mixing layer relative to the high-speed boundary layer even though the mean flow Mach numbers are the same in the two flows. Therefore, the inhibition of turbulent energy production and consequent 'stabilizing' effect of compressibility on the turbulence (over and above that due to the mean density variation) is expected to be larger in the mixing layer relative to the boundary layer in agreement with experimental observations.

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

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

Li, Wangda; Dolocan, Andrei; Oh, Pilgun

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

Construction of high-energy-density supercapacitors from pine-cone-derived high-surface-area carbons.

PubMed

Karthikeyan, Kaliyappan; Amaresh, Samuthirapandiyan; Lee, Sol Nip; Sun, Xueliang; Aravindan, Vanchiappan; Lee, Young-Gi; Lee, Yun Sung

2014-05-01

Very high surface area activated carbons (AC) are synthesized from pine cone petals by a chemical activation process and subsequently evaluated as an electrode material for supercapacitor applications in a nonaqueous medium. The maximum specific surface area of ∼3950 m(2)  g(-1) is noted for the material treated with a 1:5 ratio of KOH to pine cone petals (PCC5), which is much higher than that reported for carbonaceous materials derived from various other biomass precursors. A symmetric supercapacitor is fabricated with PCC5 electrodes, and the results showed enhanced supercapacitive behavior with the highest energy density of ∼61 Wh kg(-1). Furthermore, outstanding cycling ability is evidenced for such a configuration, and ∼90 % of the initial specific capacitance after 20,000 cycles under harsh conditions was observed. This result revealed that the pine-cone-derived high-surface-area AC can be used effectively as a promising electrode material to construct high-energy-density supercapacitors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

DOE PAGES

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

2017-04-26

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

Reheating of the Universe as holographic thermalization

DOE PAGES

Kawai, Shinsuke; Nakayama, Yu

2016-06-14

Here, assuming gauge/gravity correspondence we study reheating of the Universe using its holographic dual. Inflaton decay and thermalisation of the decay products correspond to collapse of a spherical shell and formation of a blackhole in the dual anti-de Sitter (AdS) spacetime. The reheating temperature is computed as the Hawking temperature of the developed blackhole probed by a dynamical boundary, and is determined by the inflaton energy density and the AdS radius, with corrections from the dynamics of the shell collapse. For given initial energy density of the inflaton field the holographic model gives significantly lower reheating temperature than the instantmore » reheating scenario, while it is shown to be safely within phenomenological bounds.« less

Reheating of the Universe as holographic thermalization

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

Kawai, Shinsuke; Nakayama, Yu

Here, assuming gauge/gravity correspondence we study reheating of the Universe using its holographic dual. Inflaton decay and thermalisation of the decay products correspond to collapse of a spherical shell and formation of a blackhole in the dual anti-de Sitter (AdS) spacetime. The reheating temperature is computed as the Hawking temperature of the developed blackhole probed by a dynamical boundary, and is determined by the inflaton energy density and the AdS radius, with corrections from the dynamics of the shell collapse. For given initial energy density of the inflaton field the holographic model gives significantly lower reheating temperature than the instantmore » reheating scenario, while it is shown to be safely within phenomenological bounds.« less

Role of defects in laser-induced modifications of silica coatings and fused silica using picosecond pulses at 1053 nm: II Scaling laws and the density of precursors

DOE PAGES

Laurence, T. A.; Negres, R. A.; Ly, S.; ...

2017-06-22

Here, we investigate the role of defects in laser-induced damage of fused silica and of silica coatings produced by e-beam and PIAD processes which are used in damage resistant, multi-layer dielectric, reflective optics. We perform experiments using 1053 nm, 1–60 ps laser pulses with varying beam size, number of shots, and pulse widths in order to understand the characteristics of defects leading to laser-induced damage. This pulse width range spans a transition in mechanisms from intrinsic material ablation for short pulses to defect-dominated damage for longer pulses. We show that for pulse widths as short as 10 ps, laser-induced damagemore » properties of fused silica and silica films are dominated by isolated absorbers. The density of these precursors and their fluence dependence of damage initiation suggest a single photon process for initial energy absorption in these precursors. Higher density precursors that initiate close to the ablation threshold at shorter pulse widths are also observed in fused silica, whose fluence and pulse width scaling suggest a multiphoton initiation process. We also show that these initiated damage sites grow with subsequent laser pulses. We show that scaling laws obtained in more conventional ways depend on the beam size and on the definition of damage for ps pulses. For this reason, coupling scaling laws with the density of precursors are critical to understanding the damage limitations of optics in the ps regime.« less

Role of defects in laser-induced modifications of silica coatings and fused silica using picosecond pulses at 1053 nm: II Scaling laws and the density of precursors

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

Laurence, T. A.; Negres, R. A.; Ly, S.

Here, we investigate the role of defects in laser-induced damage of fused silica and of silica coatings produced by e-beam and PIAD processes which are used in damage resistant, multi-layer dielectric, reflective optics. We perform experiments using 1053 nm, 1–60 ps laser pulses with varying beam size, number of shots, and pulse widths in order to understand the characteristics of defects leading to laser-induced damage. This pulse width range spans a transition in mechanisms from intrinsic material ablation for short pulses to defect-dominated damage for longer pulses. We show that for pulse widths as short as 10 ps, laser-induced damagemore » properties of fused silica and silica films are dominated by isolated absorbers. The density of these precursors and their fluence dependence of damage initiation suggest a single photon process for initial energy absorption in these precursors. Higher density precursors that initiate close to the ablation threshold at shorter pulse widths are also observed in fused silica, whose fluence and pulse width scaling suggest a multiphoton initiation process. We also show that these initiated damage sites grow with subsequent laser pulses. We show that scaling laws obtained in more conventional ways depend on the beam size and on the definition of damage for ps pulses. For this reason, coupling scaling laws with the density of precursors are critical to understanding the damage limitations of optics in the ps regime.« less

Characterization of High-Frequency Excitation of a Wake by Simulation

NASA Technical Reports Server (NTRS)

Cain, Alan B.; Rogers, Michael M.; Kibens, Valdis; Mansour, Nagi (Technical Monitor)

2003-01-01

Insights into the effects of high-frequency forcing on free shear layer evolution are gained through analysis of several direct numerical simulations. High-frequency forcing of a fully turbulent plane wake results in only a weak transient effect. On the other hand, significant changes in the developed turbulent state may result when high-frequency forcing is applied to a transitional wake. The impacts of varying the characteristics of the high-frequency forcing are examined, particularly, the streamwise wavenumber band in which forcing is applied and the initial amplitude of the forcing. The high-frequency excitation is found to increase the dissipation rate of turbulent kinetic energy, to reduce the turbulent kinetic energy production rate, and to reduce the turbulent kinetic energy suppression increases with forcing amplitude once a threshold level has been reached. For a given initial forcing energy, the largest reduction in turbulent kinetic energy density was achieved by forcing wavenumbers that are about two to three times the neutral wavenumber determined from linear stability theory.

General, Unified, Multiscale Modeling to Predict the Sensitivity of Energetic Materials

DTIC Science & Technology

2011-10-05

Time dependence of molecular carbon cluster size in solid methane shocked with a piston velocity up =11 km /s. The initial temperature and density were...Galilean in- variant in configuration space, but the kinetic energy of the system depends on the scalar product of the total momentum with U. To... dependent superheating of the x-component shock direction of kinetic energy . This 224513-4 Dawes et al. J. Chem. Phys. 131, 224513 2009 Author

Performance analysis of a continuous serpentine flow reactor for electrochemical oxidation of synthetic and real textile wastewater: Energy consumption, mass transfer coefficient and economic analysis.

PubMed

Pillai, Indu M Sasidharan; Gupta, Ashok K

2017-05-15

A continuous flow electrochemical reactor was developed, and its application was tested for the treatment of textile wastewater. A parallel plate configuration with serpentine flow was chosen for the continuous flow reactor. Uniparameter optimization was carried out for electrochemical oxidation of synthetic and real textile wastewater (collected from the inlet of the effluent treatment plant). Chemical Oxygen Demand (COD) removal efficiency of 90% was achieved for synthetic textile wastewater (initial COD - 780 mg L -1 ) at a flow rate of 500 mL h -1 (retention time of 6 h) and a current density of 1.15 mA cm -2 and the energy consumption for the degradation was 9.2 kWh (kg COD) -1 . The complete degradation of real textile wastewater (initial COD of 368 mg L -1 ) was obtained at a current density of 1.15 mA cm -2 , NaCl concentration of 1 g L -1 and retention time of 6 h. Energy consumption and mass transfer coefficient of the reactions were calculated. The continuous flow reactor performed better than batch reactor with reference to energy consumption and economy. The overall treatment cost for complete COD removal of real textile wastewater was 5.83 USD m -3 . Copyright © 2017 Elsevier Ltd. All rights reserved.

Kinetic modeling of ultrasound-assisted extraction of phenolic compounds from grape marc: influence of acoustic energy density and temperature.

PubMed

Tao, Yang; Zhang, Zhihang; Sun, Da-Wen

2014-07-01

The effects of acoustic energy density (6.8-47.4 W/L) and temperature (20-50 °C) on the extraction yields of total phenolics and tartaric esters during ultrasound-assisted extraction from grape marc were investigated in this study. The ultrasound treatment was performed in a 25-kHz ultrasound bath system and the 50% aqueous ethanol was used as the solvent. The initial extraction rate and final extraction yield increased with the increase of acoustic energy density and temperature. The two site kinetic model was used to simulate the kinetics of extraction process and the diffusion model based on the Fick's second law was employed to determine the effective diffusion coefficient of phenolics in grape marc. Both models gave satisfactory quality of data fit. The diffusion process was divided into one fast stage and one slow stage and the diffusion coefficients in both stages were calculated. Within the current experimental range, the diffusion coefficients of total phenolics and tartaric esters for both diffusion stages increased with acoustic energy density. Meanwhile, the rise of temperature also resulted in the increase of diffusion coefficients of phenolics except the diffusion coefficient of total phenolics in the fast stage, the value of which being the highest at 40 °C. Moreover, an empirical equation was suggested to correlate the effective diffusion coefficient of phenolics in grape marc with acoustic energy density and temperature. In addition, the performance comparison of ultrasound-assisted extraction and convention methods demonstrates that ultrasound is an effective and promising technology to extract bioactive substances from grape marc. Copyright © 2014 Elsevier B.V. All rights reserved.

Enhancing monellin production by Pichia pastoris at low cell induction concentration via effectively regulating methanol metabolism patterns and energy utilization efficiency

PubMed Central

Jia, Luqiang; Tu, Tingyong; Huai, Qiangqiang; Sun, Jiaowen; Chen, Shanshan; Li, Xin; Ding, Jian

2017-01-01

In heterologous protein productions by P. pastoris, methanol induction is generally initiated when cell concentration reaches very high density. The alternative strategy by initiating methanol induction at lower cells concentration was also reported to be effective in easing DO control, reducing toxic by-metabolites accumulation and increasing targeted proteins titers. However, the methanol/energy regulation mechanisms are seldom reported. We theoretically analyzed the methanol/energy metabolisms in protein expression process with the strategies of initiating induction at higher or lower cells concentrations, using monellin production as a prototype. When initiating induction at lower cells concentration and controlling induction temperature at 30°C, monellin concentration reached the highest levels of 2.62~2.71 g/L, which was 2.5~4.9 fold of those obtained with the strategy of initiating induction at higher cells concentration. With the desired induction strategy, 1) carbon metabolism ratio directing into the precursors synthesis route for monellin production reached the highest level of 65%, carbon metabolism ratios towards to precursors synthesis and ATP regeneration routes were regulated at relatively balanced levels; 2) monellin synthesis was completely cell growth associated, with the largest associated coefficient and higher specific growth rate; 3) theoretical NADH (energy) utilization efficiency η was the highest, and η stayed high levels (≥0.8) during most period (89%) within induction phase to supply sufficient energy in supporting monellin synthesis. PMID:28981536

Enhancing monellin production by Pichia pastoris at low cell induction concentration via effectively regulating methanol metabolism patterns and energy utilization efficiency.

PubMed

Jia, Luqiang; Tu, Tingyong; Huai, Qiangqiang; Sun, Jiaowen; Chen, Shanshan; Li, Xin; Shi, Zhongping; Ding, Jian

2017-01-01

In heterologous protein productions by P. pastoris, methanol induction is generally initiated when cell concentration reaches very high density. The alternative strategy by initiating methanol induction at lower cells concentration was also reported to be effective in easing DO control, reducing toxic by-metabolites accumulation and increasing targeted proteins titers. However, the methanol/energy regulation mechanisms are seldom reported. We theoretically analyzed the methanol/energy metabolisms in protein expression process with the strategies of initiating induction at higher or lower cells concentrations, using monellin production as a prototype. When initiating induction at lower cells concentration and controlling induction temperature at 30°C, monellin concentration reached the highest levels of 2.62~2.71 g/L, which was 2.5~4.9 fold of those obtained with the strategy of initiating induction at higher cells concentration. With the desired induction strategy, 1) carbon metabolism ratio directing into the precursors synthesis route for monellin production reached the highest level of 65%, carbon metabolism ratios towards to precursors synthesis and ATP regeneration routes were regulated at relatively balanced levels; 2) monellin synthesis was completely cell growth associated, with the largest associated coefficient and higher specific growth rate; 3) theoretical NADH (energy) utilization efficiency η was the highest, and η stayed high levels (≥0.8) during most period (89%) within induction phase to supply sufficient energy in supporting monellin synthesis.

Bose-Einstein condensation in an ultra-hot gas of pumped magnons.

PubMed

Serga, Alexander A; Tiberkevich, Vasil S; Sandweg, Christian W; Vasyuchka, Vitaliy I; Bozhko, Dmytro A; Chumak, Andrii V; Neumann, Timo; Obry, Björn; Melkov, Gennadii A; Slavin, Andrei N; Hillebrands, Burkard

2014-03-11

Bose-Einstein condensation of quasi-particles such as excitons, polaritons, magnons and photons is a fascinating quantum mechanical phenomenon. Unlike the Bose-Einstein condensation of real particles (like atoms), these processes do not require low temperatures, since the high densities of low-energy quasi-particles needed for the condensate to form can be produced via external pumping. Here we demonstrate that such a pumping can create remarkably high effective temperatures in a narrow spectral region of the lowest energy states in a magnon gas, resulting in strikingly unexpected transitional dynamics of Bose-Einstein magnon condensate: the density of the condensate increases immediately after the external magnon flow is switched off and initially decreases if it is switched on again. This behaviour finds explanation in a nonlinear 'evaporative supercooling' mechanism that couples the low-energy magnons overheated by pumping with all the other thermal magnons, removing the excess heat, and allowing Bose-Einstein condensate formation.

Theoretical Studies on Structures and Relative Stability for Polynitrohexaazaadamantanes

NASA Astrophysics Data System (ADS)

Xu, Xiao-juan; Xiao, He-ming; Wang, Gui-xiang; Ju, Xue-hai

2006-10-01

The density function theory at the B3LYP/6-31G* level was employed to study the structures, including the total energies (EZPE), the geometries, the oxygen balances (OB100), the dipole moments, of polynitro-hexaazaadamantanes (PNHAAs) and the potential candidates of high energy density compounds (HEDCs). The structural parameters of PNHAAs, such as the the maximum N—NO2 bond length (LBmax), the least N—N Mulliken population (BN—N), the least negative charge on the nitro group (QNO2) and OB100, were studied to predict their relative stability or sensitivity (the easiness for initiating a detonation, high sensitivity means low stability). It was found that the same conclusion was drawn from the four parameters. With the number of nitro groups increasing, the stabilities of these compounds decrease. OB100 failed in identifying the isomers, but the EZPE energy and the dipole moment were considered to give more reliable results for the isomers.

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

NASA Astrophysics Data System (ADS)

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

2014-02-01

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

Origin of the moon - Capture by gas drag of the earth's primordial atmosphere

NASA Astrophysics Data System (ADS)

Nakazawa, K.; Komuro, T.; Hayashi, C.

1983-06-01

The novel lunar formation scenario proposed is an extension of planetary formation process studies suggesting that the earth originated in a gaseous solar nebula. Attention is given to a series of dynamical processes in which a low energy planetesimal is trapped within the terrestrial Hill sphere under circumstances in which the primordial atmosphere's gas density gradually decreases. An unbound planetesimal entering the Hill sphere would have had to dissipate its kinetic energy and then come into a bound orbit, before escaping from the Hill sphere, without falling onto the earth's surface. The kinetic energy dissipation condition is considered through the calculation of the solar gravity and atmospheric gas drag effects on the planetesimal's orbital motion. The result obtained shows that a low energy planetesimal of less than lunar mass can be trapped in the Hill sphere with a high probability, if it enters at those stages before atmospheric density has decreased to about 1/50th of the initial value.

The initial value problem as it relates to numerical relativity.

PubMed

Tichy, Wolfgang

2017-02-01

Spacetime is foliated by spatial hypersurfaces in the 3+1 split of general relativity. The initial value problem then consists of specifying initial data for all fields on one such a spatial hypersurface, such that the subsequent evolution forward in time is fully determined. On each hypersurface the 3-metric and extrinsic curvature describe the geometry. Together with matter fields such as fluid velocity, energy density and rest mass density, the 3-metric and extrinsic curvature then constitute the initial data. There is a lot of freedom in choosing such initial data. This freedom corresponds to the physical state of the system at the initial time. At the same time the initial data have to satisfy the Hamiltonian and momentum constraint equations of general relativity and can thus not be chosen completely freely. We discuss the conformal transverse traceless and conformal thin sandwich decompositions that are commonly used in the construction of constraint satisfying initial data. These decompositions allow us to specify certain free data that describe the physical nature of the system. The remaining metric fields are then determined by solving elliptic equations derived from the constraint equations. We describe initial data for single black holes and single neutron stars, and how we can use conformal decompositions to construct initial data for binaries made up of black holes or neutron stars. Orbiting binaries will emit gravitational radiation and thus lose energy. Since the emitted radiation tends to circularize the orbits over time, one can thus expect that the objects in a typical binary move on almost circular orbits with slowly shrinking radii. This leads us to the concept of quasi-equilibrium, which essentially assumes that time derivatives are negligible in corotating coordinates for binaries on almost circular orbits. We review how quasi-equilibrium assumptions can be used to make physically well motivated approximations that simplify the elliptic equations we have to solve.

The initial value problem as it relates to numerical relativity

NASA Astrophysics Data System (ADS)

Tichy, Wolfgang

2017-02-01

Spacetime is foliated by spatial hypersurfaces in the 3+1 split of general relativity. The initial value problem then consists of specifying initial data for all fields on one such a spatial hypersurface, such that the subsequent evolution forward in time is fully determined. On each hypersurface the 3-metric and extrinsic curvature describe the geometry. Together with matter fields such as fluid velocity, energy density and rest mass density, the 3-metric and extrinsic curvature then constitute the initial data. There is a lot of freedom in choosing such initial data. This freedom corresponds to the physical state of the system at the initial time. At the same time the initial data have to satisfy the Hamiltonian and momentum constraint equations of general relativity and can thus not be chosen completely freely. We discuss the conformal transverse traceless and conformal thin sandwich decompositions that are commonly used in the construction of constraint satisfying initial data. These decompositions allow us to specify certain free data that describe the physical nature of the system. The remaining metric fields are then determined by solving elliptic equations derived from the constraint equations. We describe initial data for single black holes and single neutron stars, and how we can use conformal decompositions to construct initial data for binaries made up of black holes or neutron stars. Orbiting binaries will emit gravitational radiation and thus lose energy. Since the emitted radiation tends to circularize the orbits over time, one can thus expect that the objects in a typical binary move on almost circular orbits with slowly shrinking radii. This leads us to the concept of quasi-equilibrium, which essentially assumes that time derivatives are negligible in corotating coordinates for binaries on almost circular orbits. We review how quasi-equilibrium assumptions can be used to make physically well motivated approximations that simplify the elliptic equations we have to solve.

OH-initiated transformation and hydrolysis of aspirin in AOPs system: DFT and experimental studies.

PubMed

He, Lin; Sun, Xiaomin; Zhu, Fanping; Ren, Shaojie; Wang, Shuguang

2017-08-15

Advanced oxidation processes (AOPs) are widely used in wastewater treatment of pharmaceutical and personal care products (PPCPs). In this work, the OH-initiated transformation as well as the hydrolysis of a typical PPCPs, aspirin, was investigated using density functional theory (DFT) calculations and laboratory experiments. For DFT calculations, the frontier electron densities and bond dissociation energies were analyzed. Profiles of the potential energy surface were constructed, and all the possible pathways were discussed. Additionally, rate constants for each pathway were calculated with transition state theory (TST) method. UV/H 2 O 2 experiments of aspirin were performed and degradation intermediates were identified by UPLC-MS-MS analysis. Different findings from previous experimental works were reported that the H-abstraction pathways at methyl position were dominated and OH-addition pathways on benzene ring were also favored. Meantime, hydroxyl ASA was confirmed as the main stable intermediate. Moreover, it was the first time to use DFT method to investigate the hydrolysis mechanisms of organic ester compound. Copyright © 2017 Elsevier B.V. All rights reserved.

Grain boundaries in bcc-Fe: a density-functional theory and tight-binding study

NASA Astrophysics Data System (ADS)

Wang, Jingliang; Madsen, Georg K. H.; Drautz, Ralf

2018-02-01

Grain boundaries (GBs) have a significant influence on material properties. In the present paper, we calculate the energies of eleven low-Σ ({{Σ }}≤slant 13) symmetrical tilt GBs and two twist GBs in ferromagnetic bcc iron using first-principles density functional theory (DFT) calculations. The results demonstrate the importance of a sufficient sampling of initial rigid body translations in all three directions. We show that the relative GB energies can be explained by the miscoordination of atoms at the GB region. While the main features of the studied GB structures were captured by previous empirical interatomic potential calculations, it is shown that the absolute values of GB energies calculated were substantially underestimated. Based on DFT-calculated GB structures and energies, we construct a new d-band orthogonal tight-binding (TB) model for bcc iron. The TB model is validated by its predictive power on all the studied GBs. We apply the TB model to block boundaries in lath martensite and demonstrate that the experimentally observed GB character distribution can be explained from the viewpoint of interface energy.

Thermal decomposition of 1,3,3-trinitroazetidine (TNAZ): A density functional theory and ab initio study

NASA Astrophysics Data System (ADS)

Veals, Jeffrey D.; Thompson, Donald L.

2014-04-01

Density functional theory and ab initio methods are employed to investigate decomposition pathways of 1,3,3-trinitroazetidine initiated by unimolecular loss of NO2 or HONO. Geometry optimizations are performed using M06/cc-pVTZ and coupled-cluster (CC) theory with single, double, and perturbative triple excitations, CCSD(T), is used to calculate accurate single-point energies for those geometries. The CCSD(T)/cc-pVTZ energies for NO2 elimination by N-N and C-N bond fission are, including zero-point energy (ZPE) corrections, 43.21 kcal/mol and 50.46 kcal/mol, respectively. The decomposition initiated by trans-HONO elimination can occur by a concerted H-atom and nitramine NO2 group elimination or by a concerted H-atom and nitroalkyl NO2 group elimination via barriers (at the CCSD(T)/cc-pVTZ level with ZPE corrections) of 47.00 kcal/mol and 48.27 kcal/mol, respectively. Thus, at the CCSD(T)/cc-pVTZ level, the ordering of these four decomposition steps from energetically most favored to least favored is: NO2 elimination by N-N bond fission, HONO elimination involving the nitramine NO2 group, HONO elimination involving a nitroalkyl NO2 group, and finally NO2 elimination by C-N bond fission.

Inertial Confinement Fusion as an Extreme Example of Dynamic Compression

NASA Astrophysics Data System (ADS)

Moses, E.

2013-06-01

Initiating and controlling thermonuclear burn at the national ignition facility (NIF) will require the manipulation of matter to extreme energy densities. We will discuss recent advances in both controlling the dynamic compression of ignition targets and our understanding of the physical states and processes leading to ignition. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory in part under Contract W-7405-Eng-48 and in part under Contract DE-AC52-07NA27344.

Tunable High-Intensity Electron Bunch Train Production Based on Nonlinear Longitudinal Space Charge Oscillation

NASA Astrophysics Data System (ADS)

Zhang, Zhen; Yan, Lixin; Du, Yingchao; Zhou, Zheng; Su, Xiaolu; Zheng, Lianmin; Wang, Dong; Tian, Qili; Wang, Wei; Shi, Jiaru; Chen, Huaibi; Huang, Wenhui; Gai, Wei; Tang, Chuanxiang

2016-05-01

High-intensity trains of electron bunches with tunable picosecond spacing are produced and measured experimentally with the goal of generating terahertz (THz) radiation. By imposing an initial density modulation on a relativistic electron beam and controlling the charge density over the beam propagation, density spikes of several-hundred-ampere peak current in the temporal profile, which are several times higher than the initial amplitudes, have been observed for the first time. We also demonstrate that the periodic spacing of the bunch train can be varied continuously either by tuning launching phase of a radio-frequency gun or by tuning the compression of a downstream magnetic chicane. Narrow-band coherent THz radiation from the bunch train was also measured with μ J -level energies and tunable central frequency of the spectrum in the range of ˜0.5 to 1.6 THz. Our results pave the way towards generating mJ-level narrow-band coherent THz radiation and driving high-gradient wakefield-based acceleration.

Tunable High-Intensity Electron Bunch Train Production Based on Nonlinear Longitudinal Space Charge Oscillation

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

Zhang, Zhen; Yan, Lixin; Du, Yingchao

2016-05-05

High-intensity trains of electron bunches with tunable picosecond spacing are produced and measured experimentally with the goal of generating terahertz (THz) radiation. By imposing an initial density modulation on a relativistic electron beam and controlling the charge density over the beam propagation, density spikes of several-hundred-ampere peak current in the temporal profile, which are several times higher than the initial amplitudes, have been observed for the first time. We also demonstrate that the periodic spacing of the bunch train can be varied continuously either by tuning launching phase of a radiofrequency gun or by tuning the compression of a downstreammore » magnetic chicane. Narrow-band coherent THz radiation from the bunch train was also measured with μJ-level energies and tunable central frequency of the spectrum in the range of ~0.5 to 1.6 THz. Our results pave the way towards generating mJ-level narrow-band coherent THz radiation and driving high-gradient wakefield-based acceleration.« less

Effects of Planetesimal Accretion on the Structural Evolution of Sub-Neptunes

NASA Astrophysics Data System (ADS)

Chatterjee, Sourav; Chen, Howard

2018-01-01

A remarkable discovery of NASA's Kepler mission is the wide diversity in the average densities of planets even when they are of similar mass. After gas disk dissipation, fully formed planets could accrete nearby planetesimals from a remnant planetesimal disk. We present calculations using the open-source stellar evolution toolkit Modules for Experiments in Stellar Astrophysics (MESA) modified to include the deposition of planetesimals into the H/He envelopes of sub-Neptunes. We show that planetesimal accretion can alter the mass-radius isochrones for these planets. The additional energy deposited via planetesimal accretion puffs up the envelopes leading to enhanced gas loss during the phase of rapid accretion. As a result, the same initial planet can evolve to contain very different final envelope-mass fractions. This manifest as differences in the average planet densities long after accretion stops. Differences in the accretion history, total accreted mass, and the inherent stochasticity of the accretion process can bring wide diversity in final average densities even when the initial planets are very similar. These effects are particularly important for planets initially less massive than ~10 MEarth and with envelope mass fraction less than ~10%, thought to be the most common type of planets discovered by Kepler.

Transportation Energy Futures Series. Effects of the Built Environment on Transportation. Energy Use, Greenhouse Gas Emissions, and Other Factors

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

Porter, C. D.; Brown, A.; Dunphy, R. T.

2013-03-15

Planning initiatives in many regions and communities aim to reduce transportation energy use, decrease emissions, and achieve related environmental benefits by changing land use. This report reviews and summarizes findings from existing literature on the relationship between the built environment and transportation energy use and greenhouse gas emissions, identifying results trends as well as potential future actions. The indirect influence of federal transportation and housing policies, as well as the direct impact of municipal regulation on land use are examined for their effect on transportation patterns and energy use. Special attention is given to the 'four D' factors of density,more » diversity, design and accessibility. The report concludes that policy-driven changes to the built environment could reduce transportation energy and GHG emissions from less than 1% to as much as 10% by 2050, the equivalent of 16%-18% of present-day urban light-duty-vehicle travel. This is one of a series of reports produced as a result of the Transportation Energy Futures (TEF) project, a Department of Energy-sponsored multi-agency project initiated to pinpoint underexplored strategies for abating GHGs and reducing petroleum dependence related to transportation.« less

Transportation Energy Futures Series: Effects of the Built Environment on Transportation: Energy Use, Greenhouse Gas Emissions, and Other Factors

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

Porter, C. D.; Brown, A.; Dunphy, R. T.

2013-03-01

Planning initiatives in many regions and communities aim to reduce transportation energy use, decrease emissions, and achieve related environmental benefits by changing land use. This report reviews and summarizes findings from existing literature on the relationship between the built environment and transportation energy use and greenhouse gas emissions, identifying results trends as well as potential future actions. The indirect influence of federal transportation and housing policies, as well as the direct impact of municipal regulation on land use are examined for their effect on transportation patterns and energy use. Special attention is given to the 'four D' factors of density,more » diversity, design and accessibility. The report concludes that policy-driven changes to the built environment could reduce transportation energy and GHG emissions from less than 1% to as much as 10% by 2050, the equivalent of 16%-18% of present-day urban light-duty-vehicle travel. This is one of a series of reports produced as a result of the Transportation Energy Futures (TEF) project, a Department of Energy-sponsored multi-agency project initiated to pinpoint underexplored strategies for abating GHGs and reducing petroleum dependence related to transportation.« less

Thermodynamic Behavior in Decaying Compressible Turbulence with Initially Dominant Temperature Fluctuations

NASA Astrophysics Data System (ADS)

Cai, X. D.; O'Brien, Edward E.; Ladeinde, Foluso

1996-11-01

Direct numerical simulation of decaying, isotropic, compressible turbulence in three dimensions is used to examine the behavior of fluctuations in density, temperature, and pressure when the initial conditions include temperature fluctuations larger than pressure fluctuations. The numerical procedure is described elsewhere (Ladeinde, F. et al.,) Phys. Fluids 7(11), pp. 2848 (1995), the initial turbulence Mach number range is subsonic, 0.3 to 0.7, and, following Ghosh and Matthaeus(Ghosh, S. and Matthaeus, W. H. Phys. Fluids A, pp. 148 (1991)), the initial compressible turbulence is characterized as a: mostly solenoidal, b: random, or c: longitudinal. These cases represent, respectively, ratios of initial kinetic energy in the compressible modes to total initial kinetic energy, say \\chi_0, which are either a: very small, b: about 0.6, or c: near unity. Thermodynamic scalings at the lowest values of initial Mach number and \\chi0 follow the predictions of Zank and Matthaeus (Zank, G. P. and Matthaeus, W. H. Phys. Fluids A(3), pp. 69 (1991)), but not otherwise. The relationship between \\chi, Mach number, and compressible pressure predicted by Sarkar et al.(Sarkar, S. et al.,) J. Fluid Mech. 227, pp. 473 (1991) applies, on average, to all cases computed.

Detecting dark energy in orbit: The cosmological chameleon

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

Brax, Philippe; Bruck, Carsten van de; Davis, Anne-Christine

2004-12-15

We show that the chameleon scalar field can drive the current phase of cosmic acceleration for a large class of scalar potentials that are also consistent with local tests of gravity. These provide explicit realizations of a quintessence model where the quintessence scalar field couples directly to baryons and dark matter with gravitational strength. We analyze the cosmological evolution of the chameleon field and show the existence of an attractor solution with the chameleon following the minimum of its effective potential. For a wide range of initial conditions, spanning many orders of magnitude in initial chameleon energy density, the attractormore » is reached before nucleosynthesis. Surprisingly, the range of allowed initial conditions leading to a successful cosmology is wider than in normal quintessence. We discuss applications to the cyclic model of the universe and show how the chameleon mechanism weakens some of the constraints on cyclic potentials.« less

Do cosmic ray air showers initiate lightning?: A statistical analysis of cosmic ray air showers and lightning mapping array data

NASA Astrophysics Data System (ADS)

Hare, B. M.; Dwyer, J. R.; Winner, L. H.; Uman, M. A.; Jordan, D. M.; Kotovsky, D. A.; Caicedo, J. A.; Wilkes, R. A.; Carvalho, F. L.; Pilkey, J. T.; Ngin, T. K.; Gamerota, W. R.; Rassoul, H. K.

2017-08-01

It has been argued in the technical literature, and widely reported in the popular press, that cosmic ray air showers (CRASs) can initiate lightning via a mechanism known as relativistic runaway electron avalanche (RREA), where large numbers of high-energy and low-energy electrons can, somehow, cause the local atmosphere in a thundercloud to transition to a conducting state. In response to this claim, other researchers have published simulations showing that the electron density produced by RREA is far too small to be able to affect the conductivity in the cloud sufficiently to initiate lightning. In this paper, we compare 74 days of cosmic ray air shower data collected in north central Florida during 2013-2015, the recorded CRASs having primary energies on the order of 1016 eV to 1018 eV and zenith angles less than 38°, with Lightning Mapping Array (LMA) data, and we show that there is no evidence that the detected cosmic ray air showers initiated lightning. Furthermore, we show that the average probability of any of our detected cosmic ray air showers to initiate a lightning flash can be no more than 5%. If all lightning flashes were initiated by cosmic ray air showers, then about 1.6% of detected CRASs would initiate lightning; therefore, we do not have enough data to exclude the possibility that lightning flashes could be initiated by cosmic ray air showers.

Development of a high-efficiency motor/generator for flywheel energy storage

NASA Astrophysics Data System (ADS)

Lashley, Christopher; Anand, Dave K.; Kirk, James A.; Zmood, Ronald B.

This study addresses the design changes and extensions necessary to construct and test a working prototype of a motor/generator for a magnetically suspended flywheel energy storage system. The brushless motor controller for the motor was specified and the electronic commutation arrangement designed. The laminations were redesigned and fabricated using laser machining. Flux density measurements were made and the results used to redesign the armature windings. A test rig was designed and built, and the motor/generator was installed and speed tested to 9000 rpm. Experimental methods of obtaining the machine voltage and torque constants Kv and Kt, obtaining the useful air-gap flux density, and characterizing the motor and other system components are described. The measured Kv and Kt were approximately 40 percent greater than predicted by theory and initial experiment.

A quantitative relationship for the shock sensitivities of energetic compounds based on X-NO(2) (X=C, N, O) bond dissociation energy.

PubMed

Li, Jinshan

2010-08-15

The ZPE-corrected X-NO(2) (X=C, N, O) bond dissociation energies (BDEs(ZPE)) of 11 energetic nitrocompounds of different types have been calculated employing density functional theory methods. Computed results show that using the 6-31G** basis set the UB3LYP calculated BDE(ZPE) is less than the UB3P86. For these typical energetic nitrocompounds the shock-initiated pressure (P(98)) is strongly related to the BDE(ZPE) indeed, and a polynomial correlation of ln(P(98)) with the BDE(ZPE) has been established successfully at different density functional theory levels, which provides a method to address the shock sensitivity problem. Copyright 2010 Elsevier B.V. All rights reserved.

Development of a high-efficiency motor/generator for flywheel energy storage

NASA Technical Reports Server (NTRS)

Lashley, Christopher; Anand, Dave K.; Kirk, James A.; Zmood, Ronald B.

1991-01-01

This study addresses the design changes and extensions necessary to construct and test a working prototype of a motor/generator for a magnetically suspended flywheel energy storage system. The brushless motor controller for the motor was specified and the electronic commutation arrangement designed. The laminations were redesigned and fabricated using laser machining. Flux density measurements were made and the results used to redesign the armature windings. A test rig was designed and built, and the motor/generator was installed and speed tested to 9000 rpm. Experimental methods of obtaining the machine voltage and torque constants Kv and Kt, obtaining the useful air-gap flux density, and characterizing the motor and other system components are described. The measured Kv and Kt were approximately 40 percent greater than predicted by theory and initial experiment.

Poly(vinylidene fluoride-co-hexafluoropropylene)-graft-poly(dopamine methacrylamide) copolymers: A nonlinear dielectric material for high energy density storage

NASA Astrophysics Data System (ADS)

Rahimabady, Mojtaba; Qun Xu, Li; Arabnejad, Saeid; Yao, Kui; Lu, Li; Shim, Victor P. W.; Gee Neoh, Koon; Kang, En-Tang

2013-12-01

A nonlinear dielectric poly(vinylidene fluoride-co-hexafluoropropylene)-graft-poly(dopamine methacrylamide) [P(VDF-HFP)-g-PDMA] graft copolymer with ultra-high energy density of 33 J/cm3 was obtained by thermally initiated radical graft polymerization. It was observed that the dielectric constant of the graft copolymer films was 63% higher than that of P(VDF-HFP), with a large dielectric breakdown strength (>850 MV/m). Theoretical analyses and experimental measurements showed that the significant improvement in the electric polarization was attributed to the introduction of the highly polarizable hydroxyl groups in the PDMA side chains, and the large breakdown strength arose from the strong adhesion bonding of the catechol-containing graft copolymer to the metal electrode.

Emittance preservation in plasma-based accelerators with ion motion

DOE PAGES

Benedetti, C.; Schroeder, C. B.; Esarey, E.; ...

2017-11-01

In a plasma-accelerator-based linear collider, the density of matched, low-emittance, high-energy particle bunches required for collider applications can be orders of magnitude above the background ion density, leading to ion motion, perturbation of the focusing fields, and, hence, to beam emittance growth. By analyzing the response of the background ions to an ultrahigh density beam, analytical expressions, valid for nonrelativistic ion motion, are derived for the transverse wakefield and for the final (i.e., after saturation) bunch emittance. Analytical results are validated against numerical modeling. Initial beam distributions are derived that are equilibrium solutions, which require head-to-tail bunch shaping, enabling emittancemore » preservation with ion motion.« less

High volumetric supercapacitor with a long life span based on polymer dots and graphene sheets

NASA Astrophysics Data System (ADS)

Wei, Ji-Shi; Chen, Jie; Ding, Hui; Zhang, Peng; Wang, Yong-Gang; Xiong, Huan-Ming

2017-10-01

A series of polymer dots/graphene sheets composites with high densities are prepared and tested for supercapacitors. Polymer dots (PDs) are synthesized by one-step method at room temperature. They can effectively increase surface areas of the composites (almost 10 times), and the functional groups from PDs produce high pseudocapacitance, so that the samples exhibit high specific capacitances (e. g., 364.2 F cm-3 at 1 A g-1) and high cycling stability (e. g., more than 95% of the initial capacity retention over 10 000 cycles at different current densities). The optimal sample is employed to fabricate a symmetric supercapacitor, which exhibits an energy density up to 8 Wh L-1 and a power density up to 11 800 W L-1, respectively.

Bone density in patients with chondromalacia patella.

PubMed

Salehi, Iraj; Khazaeli, Shabnam; Hatami, Parta; Malekpour, Mahdi

2010-06-01

Chondromalacia of the patella is the most common cause of anterior knee pain in young women. The etiology of the disease is not well-understood but the initial lesion is a disorganization of collagenous structures. Since the disease is proposed to be due to generalized constitutional disturbance, we postulated that bony structures could also be involved. To investigate this hypothesis we measured the bone density of 286 patients with the diagnosis of chondromalacia of the patella during a 4-year period using dual energy X-ray absorptiometry (DXA) method. We found a significant number of patients having low bone densities. This problem was more pronounced in men and in younger age groups. We suggest base-line bone density evaluation in all patients, treatment of osteopenia or osteoporosis in select patients and regular follow-ups using DXA.

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

DOE PAGES

Floerchinger, Stefan; Martinez, Mauricio

2015-12-11

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

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

PubMed

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.

Microstructural characterization of pressed HMX material sets at differing densities

NASA Astrophysics Data System (ADS)

Molek, C. D.; Welle, E. J.; Wixom, R. R.; Ritchey, M. B.; Samuels, P.; Horie, Y.

2017-01-01

The detonation physics community has embraced the idea that initiation of high explosives (HE) proceeds from an ignition event through subsequent growth to steady detonation. A weakness of all the commonly used ignition and growth models is the microstructural characteristics of the HE are not explicitly incorporated in their ignition and growth terms. This is the case in spite of a demonstrated, but not well-understood, empirical link between particle morphology and initiation of HE. Morphological effects have been parametrically studied in many ways, the majority of efforts focus on establishing a tie between bulk powder metrics and initiation of the pressed beds. More recently, there has been a shift toward characterizing the microstructure of pressed beds in order to understand the underlying mechanisms governing initiation behavior. In this work, we have characterized the microstructures of two HMX classes pressed at three densities using ion bombardment techniques. We find more significant compaction associated with the larger crystalline material - Class 3 - than the smaller fluid energy milled material. The Class 3 material exhibits evidence of crystal cracking. Finally, we discuss this evidence and our attempt to correlate microstructural features to observed changes in continuum level initiation behavior.

Formation of bimetallic metal-organic framework nanosheets and their derived porous nickel-cobalt sulfides for supercapacitors.

PubMed

Chen, Chen; Wu, Meng-Ke; Tao, Kai; Zhou, Jiao-Jiao; Li, Yan-Li; Han, Xue; Han, Lei

2018-04-24

Metal-organic frameworks (MOFs) show great advantages as new kinds of active materials for energy storage. In this study, bimetallic metal-organic frameworks (Ni/Co-MOFs) with nanosheet-assembled flower-like structures were synthesized by etching Ni-MOF microspheres in a cobalt nitrate solution. It can be clearly observed that the amount of Co(NO3)2 and etching time play crucial roles in the formation of Ni/Co-MOF nanosheets. The Ni/Co-MOFs were used as electrode materials for supercapacitors and the optimized Ni/Co-MOF-5 exhibited the highest capacitances of 1220.2 F g-1 and 986.7 F g-1 at current densities of 1 A g-1 and 10 A g-1, respectively. Ni/Co-MOF-5 was further sulfurized, and the derived Ni-Co-S electrode showed a higher specific capacitance of 1377.5 F g-1 at a current density of 1 A g-1 and a retention of 89.4% when the current density was increased to 10 A g-1, indicating superior rate capability. Furthermore, Ni/Co-MOF-5 and Ni-Co-S showed excellent cycling stability, i.e. about 87.8% and 93.7% of initial capacitance can be still maintained after 3000 cycles of charge-discharge. More interestingly, the Ni/Co-MOF-5//AC ASC shows an energy density of 30.9 W h kg-1 at a power density of 1132.8 W kg-1, and the Ni-Co-S//AC ASC displays a high energy density of 36.9 W h kg-1 at a power density of 1066.42 W kg-1. These results demonstrate that the as-synthesized bimetallic Ni/Co-MOF nanosheets and their derived nickel-cobalt sulfides have promising applications in electrochemical supercapacitors.

Facile synthesis of pyrite (FeS2/C) nanoparticles as an electrode material for non-aqueous hybrid electrochemical capacitors.

PubMed

Pham, Duong Tung; Baboo, Joseph Paul; Song, Jinju; Kim, Sungjin; Jo, Jeonggeun; Mathew, Vinod; Alfaruqi, Muhammad Hilmy; Sambandam, Balaji; Kim, Jaekook

2018-03-29

Pyrite (FeS2) is a promising electrode material for lithium ion batteries (LIBs) because of its high natural availability, low toxicity, cost-effectiveness, high theoretical capacity (894 mA h g-1) and high theoretical specific energy density (1270 W h kg-1, 4e-/FeS2). Nevertheless, the use of FeS2 in electrochemical capacitors was restricted due to fast capacity fading as a result of polysulfide (S/Sn2-) formation during the initial electrochemical cycling. In order to avoid the formation of polysulfides, we employed the strategy of utilizing an ether based electrolyte (1.0 M lithium bis(trifluoromethanesulfonyl)imide (LiTFSI)/diglyme (DGM)). Herein, we introduce FeS2/C as the Faradaic electrode for a non-aqueous hybrid electrochemical capacitor (NHEC) in combination with activated carbon (AC) as a non-Faradaic electrode, and 1.0 M LiTFSI/DGM as a non-aqueous electrolyte. Specifically, FeS2/C nanoparticles have been prepared via the sulfidation of a room temperature synthesized Fe-based MOF (metal organic framework) precursor. The fabricated FeS2/C∥AC NHEC, operating within the chosen voltage window of 0-3.2 V, delivered energy densities in the range of 63-9 W h kg-1 at power densities of 152-3240 W kg-1. Remarkable cycling stability with stable energy density retention for 2500 cycles at high power densities (729, 1186 and 3240 W kg-1) was observed.

A radioluminescent nuclear battery using volumetric configuration: 63Ni solution/ZnS:Cu,Al/InGaP.

PubMed

Russo, Johnny; Litz, Marc; Ray, William; Smith, Brenda; Moyers, Richard

2017-12-01

Energy dense power sources are critical to the development of compact, remote sensors for terrestrial and space applications. Nuclear batteries using β - -emitting radioisotopes possess energy densities 1000 times greater than chemical batteries. Their power generation is a function of β - flux saturation point relative to the planar (2D) configuration, β - range, and semiconductor converter. An approach to increase power density in a beta-photovoltaic (β-PV) nuclear battery is described. By using volumetric (3D) configuration, the radioisotope, nickel-63 ( 63 Ni) in a chloride solution was integrated in a phosphor film (ZnS:Cu,Al) where the β - energy is converted into optical energy. The optical energy was converted to electrical energy via an indium gallium phosphate (InGaP) photovoltaic (PV) cell, which was optimized for low light illumination and closely matched to radioluminescence (RL) spectrum. With 15mCi of 63 Ni activity, the 3D configuration energy values surpassed 2D configuration results. The highest total power conversion efficiency (η t ) of 3D configuration was 0.289% at 200µm compared 0.0638% for 2D configuration at 50µm. The highest electrical power and η t for the 3D configuration were 3.35 nW e /cm 2 at an activity of 30mCi and 0.289% at an activity of 15mCi, respectively. By using 3D configuration, the interaction space between the radioisotope source and scintillation material increased, allowing for significant electrical energy output, relative to the 2D configuration. These initial results represent a first step to increase nuclear battery power density from microwatts to milliwatts per 1000cm 3 with the implementation of higher energy β - sources. Published by Elsevier Ltd.

A thermally regenerative ammonia battery with carbon-silver electrodes for converting low-grade waste heat to electricity

NASA Astrophysics Data System (ADS)

Rahimi, Mohammad; Kim, Taeyoung; Gorski, Christopher A.; Logan, Bruce E.

2018-01-01

Thermally regenerative ammonia batteries (TRABs) have shown great promise as a method to convert low-grade waste heat into electrical power, with power densities an order of magnitude higher than other approaches. However, previous TRABs based on copper electrodes suffered from unbalanced anode dissolution and cathode deposition rates during discharging cycles, limiting practical applications. To produce a TRAB with stable and reversible electrode reactions over many cycles, inert carbon electrodes were used with silver salts. In continuous flow tests, power production was stable over 100 discharging cycles, demonstrating excellent reversibility. Power densities were 23 W m-2-electrode area in batch tests, which was 64% higher than that produced in parallel tests using copper electrodes, and 30 W m-2 (net energy density of 490 Wh m-3-anolyte) in continuous flow tests. While this battery requires the use a precious metal, an initial economic analysis of the system showed that the cost of the materials relative to energy production was 220 per MWh, which is competitive with energy production from other non-fossil fuel sources. A substantial reduction in costs could be obtained by developing less expensive anion exchange membranes.

Milagro Limits and HAWC Sensitivity for the Rate-Density of Evaporating Primordial Black Holes

NASA Technical Reports Server (NTRS)

Abdo, A. A.; Abeysekara, A. U.; Alfaro, R.; Allen, B.T.; Alvarez, C.; Alvarez, J. D.; Arceo, R.; Arteaga-Velazquez, J. C.; Aune, T.; Ayala Solares, H. A.;

Hierarchical columnar silicon anode structures for high energy density lithium sulfur batteries

NASA Astrophysics Data System (ADS)

Piwko, Markus; Kuntze, Thomas; Winkler, Sebastian; Straach, Steffen; Härtel, Paul; Althues, Holger; Kaskel, Stefan

2017-05-01

Silicon is a promising anode material for next generation lithium secondary batteries. To significantly increase the energy density of state of the art batteries with silicon, new concepts have to be developed and electrode structuring will become a key technology. Structuring is essential to reduce the macroscopic and microscopic electrode deformation, caused by the volume change during cycling. We report pulsed laser structuring for the generation of hierarchical columnar silicon films with outstanding high areal capacities up to 7.5 mAh cm-2 and good capacity retention. Unstructured columnar electrodes form a micron-sized block structure during the first cycle to compensate the volume expansion leading to macroscopic electrode deformation. At increased silicon loading, without additional structuring, pronounced distortion and the formation of cracks through the current collector causes cell failure. Pulsed laser ablation instead is demonstrated to avoid macroscopic electrode deformation by initial formation of the block structure. A full cell with lithiated silicon versus a carbon-sulfur cathode is assembled with only 15% overbalanced anode and low electrolyte amount (8 μl mgsulfur-1). While the capacity retention over 50 cycles is identical to a cell with high excess lithium anode, the volumetric energy density could be increased by 30%.

Milagro Limits and HAWC Sensitivity for the Rate-Density of Evaporating Primordial Black Holes

NASA Technical Reports Server (NTRS)

Abdo, A. A.; Abeysekara, A. U.; Alfaro, R.; Allen, B. T.; Alvarez, C.; Alvarez, J. D.; Arceo, R.; Arteaga-Velazquez, J. C.; Aune, T.; Ayala Solares, H. A.;

Marangoni Effect-Driven Motion of Miniature Robots and Generation of Electricity on Water.

PubMed

Zhang, Lidong; Yuan, Yihui; Qiu, Xiaxin; Zhang, Ting; Chen, Qing; Huang, Xinhua

2017-11-07

The well-known Marangoni effect perfectly supports the dynamic mechanism of organic solvent-swollen gels on water. On this basis, we report a series of energy conversion processes of concentrated droplets of polyvinylidene fluoride/dimethyl formamide (PVDF/DMF) that can transfer chemical-free energy to kinetic energy to rapidly rotate itself on water. This droplet (22.2 mg) is capable to offer kinetic energy of 0.099 μJ to propel an artificial paper rocket of 31.8 mg to move over 560 cm on water at an initial velocity of 7.9 cm s -1 . As the droplet increases to 35.0 mg, a paper goldfish of 10.6 mg can be driven to swim longer at a higher initial velocity of 20 cm s -1 . The kinetic energy of the droplet can be further converted to electrical energy through an electromagnetic generator, in which as a 0.5 MΩ resistor is loaded, the peak output reaches 6.5 mV that corresponds to the power density of 0.293 μW kg -1 . We believe that this report would open up a promising avenue to exploit energies for applications in miniature robotics.

Plasma Gradient Piston: a new approach to precision pulse shaping

NASA Astrophysics Data System (ADS)

Prisbrey, Shon T.

2011-10-01

We have successfully developed a method to create shaped pressure drives from large shocks that can be applied to a wide variety of experimental platforms. The method consists of transforming a large shock or blast wave into a ramped pressured drive by utilizing a graded density reservoir that unloads across a gap and stagnates against the sample being studied. The utilization of a graded density reservoir, different materials, and a gap transforms the energy in the initial large shock into a quasi-isentropic ramped compression. Control of the ramp history is via the size of the initial shock, the chosen reservoir materials, their densities, the thickness of each density layer, and the gap size. There are two keys to utilizing this approach to create ramped drives: the ability to produce a large shock, and making the layered density reservoir. A number of facilities can produce the strong initial shock (Z, Omega, NIF, Phoenix, high explosives, NIKE, LMJ, pulsed power,...). We have demonstrated ramped drives from 0.5 to 1.5 Mbar utilizing a large shock created at the Omega laser facility. We recently concluded a pair of NIF drive shots where we successfully converted a hohlraum-generated shock into a stepped, ramped pressure drive with a peak pressure of ~4 - 5 Mbar in a Ta sample. We will explain the basic concepts needed for producing a ramped pressure drive, compare experimental data with simulations from Omega (Pmax ~ 1 Mbar) and NIF (Pmax ~ 5-10 Mbar), and present designs for ramped, staged-shock designs up to Pmax ~ 30 Mbar. The approach that we have developed enables precision pulse shaping of the drive (applied pressure vs. time) via target characteristics, as opposed to tailoring laser power vs time or Z-pinch facility current vs time. This enables ramped, quasi-isentropic materials studies to be performed on a wide variety of HED facilities. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-490532.

Redox-Active Hydrogel Polymer Electrolytes with Different pH Values for Enhancing the Energy Density of the Hybrid Solid-State Supercapacitor.

PubMed

Tang, Xiaohui; Lui, Yu Hui; Merhi, Abdul Rahman; Chen, Bolin; Ding, Shaowei; Zhang, Bowei; Hu, Shan

2017-12-27

To enhance the energy density of solid-state supercapacitors, a novel solid-state cell, made of redox-active poly(vinyl alcohol) (PVA) hydrogel electrolytes and functionalized carbon nanotube-coated cellulose paper electrodes, was investigated in this work. Briefly, acidic PVA-[BMIM]Cl-lactic acid-LiBr and neutral PVA-[BMIM]Cl-sodium acetate-LiBr hydrogel polymer electrolytes are used as catholyte and anolyte, respectively. The acidic condition of the catholyte contributes to suppression of the undesired irreversible reaction of Br - and extension of the oxygen evolution reaction potential to a higher value than that of the redox potential of Br - /Br 3 - reaction. The observed Br - /Br 3 - redox activity at the cathode contributes to enhance the cathode capacitance. The neutral condition of the anolyte helps extend the operating voltage window of the supercapacitor by introducing hydrogen evolution reaction overpotential to the anode. The electrosorption of nascent H on the negative electrode also increases the anode capacitance. As a result, the prepared solid-state hybrid supercapacitor shows a broad voltage window of 1.6 V, with a high Coulombic efficiency of 97.6% and the highest energy density of 16.3 Wh/kg with power density of 932.6 W/kg at 2 A/g obtained. After 10 000 cycles of galvanostatic charge and discharge tests at the current density of 10 A/g, it exhibits great cyclic stability with 93.4% retention of the initial capacitance. In addition, a robust capacitive performance can also be observed from the solid-state supercapacitor at different bending angles, indicating its great potential as a flexible energy storage device.

Hybrid-drive implosion system for ICF targets

DOEpatents

Mark, James W.

1988-08-02

Hybrid-drive implosion systems (20,40) for ICF targets (10,22,42) are described which permit a significant increase in target gain at fixed total driver energy. The ICF target is compressed in two phases, an initial compression phase and a final peak power phase, with each phase driven by a separate, optimized driver. The targets comprise a hollow spherical ablator (12) surroundingly disposed around fusion fuel (14). The ablator is first compressed to higher density by a laser system (24), or by an ion beam system (44), that in each case is optimized for this initial phase of compression of the target. Then, following compression of the ablator, energy is directly delivered into the compressed ablator by an ion beam driver system (30,48) that is optimized for this second phase of operation of the target. The fusion fuel (14) is driven, at high gain, to conditions wherein fusion reactions occur. This phase separation allows hydrodynamic efficiency and energy deposition uniformity to be individually optimized, thereby securing significant advantages in energy gain. In additional embodiments, the same or separate drivers supply energy for ICF target implosion.

Hybrid-drive implosion system for ICF targets

DOEpatents

Mark, James W.

1988-01-01

Hybrid-drive implosion systems (20,40) for ICF targets (10,22,42) are described which permit a significant increase in target gain at fixed total driver energy. The ICF target is compressed in two phases, an initial compression phase and a final peak power phase, with each phase driven by a separate, optimized driver. The targets comprise a hollow spherical ablator (12) surroundingly disposed around fusion fuel (14). The ablator is first compressed to higher density by a laser system (24), or by an ion beam system (44), that in each case is optimized for this initial phase of compression of the target. Then, following compression of the ablator, energy is directly delivered into the compressed ablator by an ion beam driver system (30,48) that is optimized for this second phase of operation of the target. The fusion fuel (14) is driven, at high gain, to conditions wherein fusion reactions occur. This phase separation allows hydrodynamic efficiency and energy deposition uniformity to be individually optimized, thereby securing significant advantages in energy gain. In additional embodiments, the same or separate drivers supply energy for ICF target implosion.

Hybrid-drive implosion system for ICF targets

DOEpatents

Mark, J.W.K.

1987-10-14

Hybrid-drive implosion systems for ICF targets are described which permit a significant increase in target gain at fixed total driver energy. The ICF target is compressed in two phases, an initial compression phase and a final peak power phase, with each phase driven by a separate, optimized driver. The targets comprise a hollow spherical ablator surroundingly disposed around fusion fuel. The ablator is first compressed to higher density by a laser system, or by an ion beam system, that in each case is optimized for this initial phase of compression of the target. Then, following compression of the ablator, energy is directly delivered into the compressed ablator by an ion beam driver system that is optimized for this second phase of operation of the target. The fusion fuel is driven, at high gain, to conditions wherein fusion reactions occur. This phase separation allows hydrodynamic efficiency and energy deposition uniformity to be individually optimized, thereby securing significant advantages in energy gain. In additional embodiments, the same or separate drivers supply energy for ICF target implosion. 3 figs.

Simulation study of 3-5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

NASA Astrophysics Data System (ADS)

Kemp, G. E.; Colvin, J. D.; Fournier, K. B.; May, M. J.; Barrios, M. A.; Patel, M. V.; Scott, H. A.; Marinak, M. M.

2015-05-01

Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3-5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (˜nc/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using Hydra, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facility (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from Cretin, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3-5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ˜100-150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (˜20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3-5 keV x-ray source on NIF.

An investigation of manganese based electrode materials for use in lithium ion batteries

NASA Astrophysics Data System (ADS)

Sengupta, Surajit

Lithium-based batteries are potential candidates to provide maximum volumetric and gravimetric energy density. One of the most attractive candidates as a cathode material for secondary lithium ion battery systems is the spinel LiMn 2O4 because it is environmentally friendly, less expensive and is capable of providing high energy density as compared to other cathode materials that are currently available. One problem associated with the spinel structure is capacity fading during multiple cycles of charge and discharge operations. This behaviour is due in part to the structural distortion during deep charge and discharge where nearly 100% of the lithium is extracted and inserted inside the spinel structure. Capacity fading can also be caused by dissolution of manganese ions in the electrolyte phase. A solution based method has been adapted for the synthesis of lithium manganese oxide, and chromium and cobalt doped mixed oxide materials using polyvinyl alcohol (PVA) as a chelating agent. It has been found from TGA/DSC analysis that at around 220°C the synthesis reaction is completed. The precursor powders obtained were annealed at different temperatures and times in the range of 250°C to 600°C and from 2 to 8 hours respectively to obtain pure spinel oxides. From X-ray analysis it has been observed that the crystallite size can be controlled in the range of approximately 6 nm to 32 nm depending on the annealing time and the temperature. The morphology of the synthesized materials consisted of submicron sized particles agglomerated with micropores inside the network structure. To observe the effect of physical properties on battery performance cyclic chronopotentiometric evaluation was conducted. It has been found with these synthesized materials that there is an increase in the 1st discharge capacity with an increase in the annealing time and the temperature at both 1C and C/5 rates. This increase is more significant when the annealing temperature is 600°C as compared to that at 250°C. This implies that an increase in particle size may improve the initial discharge capacity. It was observed that at the discharge rate of 1C, the material annealed at 600°C for 8 hours showed the best performance with respect to an average initial discharge capacity, energy density and capacity retention. However, it was found that the initial discharge capacity, the energy density and the capacity retention are poor for highly crystalline, micron sized lithium manganese oxide cathode material. (Abstract shortened by UMI.)

Semiconductor bridge (SCB) detonator

DOEpatents

Bickes, Jr., Robert W.; Grubelich, Mark C.

1999-01-01

The present invention is a low-energy detonator for high-density secondary-explosive materials initiated by a semiconductor bridge igniter that comprises a pair of electrically conductive lands connected by a semiconductor bridge. The semiconductor bridge is in operational or direct contact with the explosive material, whereby current flowing through the semiconductor bridge causes initiation of the explosive material. Header wires connected to the electrically-conductive lands and electrical feed-throughs of the header posts of explosive devices, are substantially coaxial to the direction of current flow through the SCB, i.e., substantially coaxial to the SCB length.

Initial conditions for critical Higgs inflation

NASA Astrophysics Data System (ADS)

Salvio, Alberto

2018-05-01

It has been pointed out that a large non-minimal coupling ξ between the Higgs and the Ricci scalar can source higher derivative operators, which may change the predictions of Higgs inflation. A variant, called critical Higgs inflation, employs the near-criticality of the top mass to introduce an inflection point in the potential and lower drastically the value of ξ. We here study whether critical Higgs inflation can occur even if the pre-inflationary initial conditions do not satisfy the slow-roll behavior (retaining translation and rotation symmetries). A positive answer is found: inflation turns out to be an attractor and therefore no fine-tuning of the initial conditions is necessary. A very large initial Higgs time-derivative (as compared to the potential energy density) is compensated by a moderate increase in the initial field value. These conclusions are reached by solving the exact Higgs equation without using the slow-roll approximation. This also allows us to consistently treat the inflection point, where the standard slow-roll approximation breaks down. Here we make use of an approach that is independent of the UV completion of gravity, by taking initial conditions that always involve sub-planckian energies.

Particle size and surface area effects on the thin-pulse shock initiation of Diaminoazoxyfurazan (DAAF)

NASA Astrophysics Data System (ADS)

Burritt, Rosemary; Francois, Elizabeth; Windler, Gary; Chavez, David

2017-06-01

Diaminoazoxyfurazan (DAAF) has many of the safety characteristics of an insensitive high explosive (IHE): it is extremely insensitive to impact and friction and is comparable to triaminotrinitrobezene (TATB) in this way. Conversely, it demonstrates many performance characteristics of a Conventional High Explosive (CHE). DAAF has a small failure diameter of about 1.25 mm and can be sensitive to shock under the right conditions. Large particle sized DAAF will not initiate in a typical exploding foil initiator (EFI) configuration but smaller particle sizes will. Large particle sized DAAF, of 40 μm, was crash precipitated and ball milled into six distinct samples and pressed into pellets with a density of 1.60 g/cc (91% TMD). To investigate the effect of particle size and surface area on the direct initiation on DAAF multiple threshold tests were preformed on each sample of DAAF in different EFI configurations, which varied in flyer thickness and/or bridge size. Comparative tests were performed examining threshold voltage and correlated to Photon Doppler Velocimetry (PDV) results. The samples with larger particle sizes and surface area required more energy to initiate while the smaller particle sizes required less energy and could be initiated with smaller diameter flyers.

Violent Relaxation, Dynamical Instabilities and the Formation of Elliptical Galaxies

NASA Astrophysics Data System (ADS)

Aguilar, L. A.

1990-11-01

RESUMEN: El problema de la formaci6n de galaxias elfpticas por medjo de colapso gravitacional sin disipaci6n de energfa es estudiado usando un gran numero de simulaciones numericas. Se muestra que este tipo de colapsos, partiendo de condiciones iniciales frfas donde la energfa cinetica inicial representa s6lo un 5%, 0 , de a potencial inicial, produce sistemas relajados de forma triaxial muy similares a las galaxias elfpticas reales en sus formas y perfiles de densidad en proyecci6i . La forina triaxial resulta de la acci6n de una inestabilidad dinamica que aparece en sistemas 'inicos dominados por movimientos radiales, mientras que el perfil de densidad final Cs debido al llamado relajamiento violento que tiende a producir una distribuci6n en espacio fase unica. Estos dos fen6menos tienden a borrar los detalles particulares sobre las condiciones iniciales y dan lugar a una evoluci6n convergente hacia sistemas realistas, esto innecesario el uso de condiciones iniciales especiales (excepto por Ia condici6i de que estas deben ser frfas). Las condiciones iniciales frfas producen los movimientos radiales y fluctuaciones de la energfa potencial requeridos por ambos fen6menos. ABSTRACT: The problem of formation of elliptical galaxies via dissipationless collapse is studied using a large set of numerical simulations. It is shown that dissipationless collapses from cold initial conditions, where the total initial kinetic energy is less than 5% ofthe initial potential energy, lead to relaxed triaxial systems ery similar to real elliptical galaxies ii projected shape and density profiles. The triaxial shape is due to the of a dynamical instability that appears on systems dominated by radial orbits, while final density profile is due to violent relaxation that tends to produce a unique distribution iii space. These two phenomena erase memory of the initial prodtice a convergent evolution toward realistic systems, thus making unnecessary use o[special initial conditions (other than the condition ofbeing cold). Cold initial the radial orbits and large potential energy fluctuations necessary for both and are thus sufficient. KQ words: GALAXIES-DYNAMICS - GALAXIES-ELLIPTICAL - GALAXIES-FORMATION

Calculation of x-ray spectra emerging from an x-ray tube. Part I. electron penetration characteristics in x-ray targets.

PubMed

Poludniowski, Gavin G; Evans, Philip M

2007-06-01

The penetration characteristics of electron beams into x-ray targets are investigated for incident electron kinetic energies in the range 50-150 keV. The frequency densities of electrons penetrating to a depth x in a target, with a fraction of initial kinetic energy, u, are calculated using Monte Carlo methods for beam energies of 50, 80, 100, 120 and 150 keV in a tungsten target. The frequency densities for 100 keV electrons in Al, Mo and Re targets are also calculated. A mixture of simple modeling with equations and interpolation from data is used to generalize the calculations in tungsten. Where possible, parameters derived from the Monte Carlo data are compared to experimental measurements. Previous electron transport approximations in the semiempirical models of other authors are discussed and related to this work. In particular, the crudity of the use of the Thomson-Whiddington law to describe electron penetration and energy loss is highlighted. The results presented here may be used towards calculating the target self-attenuation correction for bremsstrahlung photons emitted within a tungsten target.

Physical Theory of Voltage Fade in Lithium- and Manganese-Rich Transition Metal Oxides

DOE PAGES

Rinaldo, Steven G.; Gallagher, Kevin G.; Long, Brandon R.; ...

2015-03-04

Lithium- and manganese-rich (LMR) transition metal oxide cathodes are of interest for lithium-ion battery applications due to their increased energy density and decreased cost. However, the advantages in energy density and cost are offset, in part, due to the phenomena of voltage fade. Specifically, the voltage profiles (voltage as a function of capacity) of LMR cathodes transform from a high energy configuration to a lower energy configuration as they are repeatedly charged (Li removed) and discharged (Li inserted). Here, we propose a physical model of voltage fade that accounts for the emergence of a low voltage Li phase due tomore » the introduction of transition metal ion defects within a parent Li phase. The phenomenological model was re-cast in a general form and experimental LMR charge profiles were de-convoluted to extract the evolutionary behavior of various components of LMR capacitance profiles. Evolution of the voltage fade component was found to follow a universal growth curve with a maximal voltage fade capacity of ≈ 20% of the initial total capacity.« less

Theoretical studies on the crystal structure, thermodynamic properties, detonation performance and thermal stability of cage-tetranitrotetraazabicyclooctane as a novel high energy density compound.

PubMed

Zhao, Guo-zheng; Lu, Ming

2013-01-01

The B3LYP/6-31G (d) method of density functional theory (DFT) was used to study molecular geometry, electronic structure, infrared spectrum (IR) and thermodynamic properties. The heat of formation (HOF) and calculated density were estimated to evaluate the detonation properties using Kamlet-Jacobs equations. Thermal stability of 3,5,7,10,12,14,15,16-octanitro- 3,5,7,10,12,14,15,16-octaaza-heptacyclo[7.5.1.1(2,8).0(1,11).0(2,6).0(4,13).0(6,11)]hexadecane (cage-tetranitrotetraazabicyclooctane) was investigated by calculating the bond dissociation energy (BDE) at unrestricted B3LYP/6-31G (d) level. The calculated results show that the N-NO2 bond is a trigger bond during thermolysis initiation process. The crystal structure obtained by molecular mechanics (MM) methods belongs to Pna2(1) space group, with cell parameters a=12.840 Å, b=9.129 Å, c=14.346 Å, Z=6 and ρ=2.292 g·cm(-3). Both the detonation velocity of 9.96 km·s(-1) and the detonation pressure of 47.47 GPa are better than those of CL-20. According to the quantitative standard of energetics and stability, as a high energy density compound (HEDC), cage-tetranitrotetraazabicyclooctane essentially satisfies this requirement.

Facile and controllable synthesis of N/P co-doped graphene for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Xia, Kaisheng; Huang, Zhiyuan; Zheng, Lin; Han, Bo; Gao, Qiang; Zhou, Chenggang; Wang, Hongquan; Wu, Jinping

2017-10-01

Improving the energy density of carbon-based supercapacitors is one of the most urgent demands for developing high-power energy supplies, which in general requires delicate engineering of the carbon composition and textures. By pre-functionalization of graphene nanosheets and successive one-step (NH4)3PO4 activation, we prepared a type of nitrogen and phosphorus co-doped graphene (NPG) with high specific surface areas, hierarchical pore structures as well as tunable N and P contents. The as-obtained NPG shows high specific capacitances of 219 F g-1 (123 F cm-3) at 0.25 A g-1 and 175 F g-1 (98 F cm-3) at 10 A g-1, respectively. Accordingly, the NPG-based symmetrical supercapacitor device, working at a potential window of 1.3 V, could deliver an enhanced energy density of 8.2 Wh kg-1 (4.6 Wh L-1) at a power density of 162 W kg-1 (91 W L-1), which still retains 6.7 Wh kg-1 at 6.5 kW kg-1. In particular, under a current density of 5 A g-1, the device endows an 86% capacitance retention of initial after 20,000 cycles, displaying superior cycle stability. Our results imply the feasibility of NPG as a promising candidate for high-performance supercapacitors.

Functionalized carbon nanotube based hybrid electrochemical capacitors using neutral bromide redox-active electrolyte for enhancing energy density

NASA Astrophysics Data System (ADS)

Tang, Xiaohui; Lui, Yu Hui; Chen, Bolin; Hu, Shan

2017-06-01

A hybrid electrochemical capacitor (EC) with enhanced energy density is realized by integrating functionalized carbon nanotube (FCNT) electrodes with redox-active electrolyte that has a neutral pH value (1 M Na2SO4 and 0.5 M KBr mixed aqueous solution). The negative electrode shows an electric double layer capacitor-type behavior. On the positive electrode, highly reversible Br-/Br3- redox reactions take place, presenting a battery-type behavior, which contributes to increase the capacitance of the hybrid cell. The voltage window of the whole cell is extended up to 1.5 V because of the high over-potentials of oxygen and hydrogen evolution reactions in the neutral electrolyte. Compared with raw CNT, the FCNT has better wettability in the aqueous electrolyte and contributes to increase the electric double layer capacitance of the cell. As a result, the maximum energy density of 28.3 Wh kg-1 is obtained from the hybrid EC at 0.5 A g-1 without sacrificing its power density, which is around 4 times larger than that of the electrical double layer capacitor constructed by FCNT electrodes and 1 M Na2SO4 electrolyte. Moreover, the discharge capacity retained 86.3% of its initial performance after 10000 cycles of galvanostatic charge and discharge test (10 A/g), suggesting its long life cycle even at high current loading.

Electron-impact vibrational relaxation in high-temperature nitrogen

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1992-01-01

Vibrational relaxation process of N2 molecules by electron-impact is examined for the future planetary entry environments. Multiple-quantum transitions from excited states to higher/lower states are considered for the electronic ground state of the nitrogen molecule N2 (X 1Sigma-g(+)). Vibrational excitation and deexcitation rate coefficients obtained by computational quantum chemistry are incorporated into the 'diffusion model' to evaluate the time variations of vibrational number densities of each energy state and total vibrational energy. Results show a non-Boltzmann distribution of number densities at the earlier stage of relaxation, which in turn suppresses the equilibrium process but affects little the time variation of total vibrational energy. An approximate rate equation and a corresponding relaxation time from the excited states, compatible with the system of flow conservation equations, are derived. The relaxation time from the excited states indicates the weak dependency of the initial vibrational temperature. The empirical curve-fit formula for the improved e-V relaxation time is obtained.

Scalable patterning using laser-induced shock waves

NASA Astrophysics Data System (ADS)

Ilhom, Saidjafarzoda; Kholikov, Khomidkhodza; Li, Peizhen; Ottman, Claire; Sanford, Dylan; Thomas, Zachary; San, Omer; Karaca, Haluk E.; Er, Ali O.

2018-04-01

An advanced direct imprinting method with low cost, quick, and minimal environmental impact to create a thermally controllable surface pattern using the laser pulses is reported. Patterned microindents were generated on Ni50Ti50 shape memory alloys and aluminum using an Nd: YAG laser operating at 1064 nm combined with a suitable transparent overlay, a sacrificial layer of graphite, and copper grid. Laser pulses at different energy densities, which generate pressure pulses up to a few GPa on the surface, were focused through the confinement medium, ablating the copper grid to create plasma and transferring the grid pattern onto the surface. Scanning electron microscope and optical microscope images show that various patterns were obtained on the surface with high fidelity. One-dimensional profile analysis indicates that the depth of the patterned sample initially increases with the laser energy and later levels off. Our simulations of laser irradiation process also confirm that high temperature and high pressure could be generated when the laser energy density of 2 J/cm2 is used.

Galactic cluster winds in presence of a dark energy

NASA Astrophysics Data System (ADS)

Bisnovatyi-Kogan, G. S.; Merafina, M.

2013-10-01

We obtain a solution for the hydrodynamic outflow of the polytropic gas from the gravitating centre, in the presence of the uniform dark energy (DE). The antigravity of DE is enlightening the outflow and makes the outflow possible at smaller initial temperature, at the same density. The main property of the wind in the presence of DE is its unlimited acceleration after passing the critical point. In application of this solution to the winds from galaxy clusters, we suggest that collision of the strongly accelerated wind with another galaxy cluster, or with another galactic cluster wind, could lead to the formation of a highest energy cosmic rays.

Asymmetric (1+1)-dimensional hydrodynamics in high-energy collisions

NASA Astrophysics Data System (ADS)

Bialas, A.; Peschanski, R.

2011-05-01

The possibility that particle production in high-energy collisions is a result of two asymmetric hydrodynamic flows is investigated using the Khalatnikov form of the (1+1)-dimensional approximation of hydrodynamic equations. The general solution is discussed and applied to the physically appealing “generalized in-out cascade” where the space-time and energy-momentum rapidities are equal at initial temperature but boost invariance is not imposed. It is demonstrated that the two-bump structure of the entropy density, characteristic of the asymmetric input, changes easily into a single broad maximum compatible with data on particle production in symmetric processes. A possible microscopic QCD interpretation of asymmetric hydrodynamics is proposed.

Ultra-high-energy cosmic rays from low-luminosity active galactic nuclei

NASA Astrophysics Data System (ADS)

Duţan, Ioana; Caramete, Laurenţiu I.

2015-03-01

We investigate the production of ultra-high-energy cosmic ray (UHECR) in relativistic jets from low-luminosity active galactic nuclei (LLAGN). We start by proposing a model for the UHECR contribution from the black holes (BHs) in LLAGN, which present a jet power Pj ⩽1046 erg s-1. This is in contrast to the opinion that only high-luminosity AGN can accelerate particles to energies ⩾ 50 EeV. We rewrite the equations which describe the synchrotron self-absorbed emission of a non-thermal particle distribution to obtain the observed radio flux density from sources with a flat-spectrum core and its relationship to the jet power. We found that the UHECR flux is dependent on the observed radio flux density, the distance to the AGN, and the BH mass, where the particle acceleration regions can be sustained by the magnetic energy extraction from the BH at the center of the AGN. We use a complete sample of 29 radio sources with a total flux density at 5 GHz greater than 0.5 Jy to make predictions for the maximum particle energy, luminosity, and flux of the UHECRs from nearby AGN. These predictions are then used in a semi-analytical code developed in Mathematica (SAM code) as inputs for the Monte-Carlo simulations to obtain the distribution of the arrival direction at the Earth and the energy spectrum of the UHECRs, taking into account their deflection in the intergalactic magnetic fields. For comparison, we also use the CRPropa code with the same initial conditions as for the SAM code. Importantly, to calculate the energy spectrum we also include the weighting of the UHECR flux per each UHECR source. Next, we compare the energy spectrum of the UHECRs with that obtained by the Pierre Auger Observatory.

Nanowire modified carbon fibers for enhanced electrical energy storage

NASA Astrophysics Data System (ADS)

Shuvo, Mohammad Arif Ishtiaque; (Bill) Tseng, Tzu-Liang; Ashiqur Rahaman Khan, Md.; Karim, Hasanul; Morton, Philip; Delfin, Diego; Lin, Yirong

2013-09-01

The study of electrochemical super-capacitors has become one of the most attractive topics in both academia and industry as energy storage devices because of their high power density, long life cycles, and high charge/discharge efficiency. Recently, there has been increasing interest in the development of multifunctional structural energy storage devices such as structural super-capacitors for applications in aerospace, automobiles, and portable electronics. These multifunctional structural super-capacitors provide structures combining energy storage and load bearing functionalities, leading to material systems with reduced volume and/or weight. Due to their superior materials properties, carbon fiber composites have been widely used in structural applications for aerospace and automotive industries. Besides, carbon fiber has good electrical conductivity which will provide lower equivalent series resistance; therefore, it can be an excellent candidate for structural energy storage applications. Hence, this paper is focused on performing a pilot study for using nanowire/carbon fiber hybrids as building materials for structural energy storage materials; aiming at enhancing the charge/discharge rate and energy density. This hybrid material combines the high specific surface area of carbon fiber and pseudo-capacitive effect of metal oxide nanowires, which were grown hydrothermally in an aligned fashion on carbon fibers. The aligned nanowire array could provide a higher specific surface area that leads to high electrode-electrolyte contact area thus fast ion diffusion rates. Scanning Electron Microscopy and X-Ray Diffraction measurements are used for the initial characterization of this nanowire/carbon fiber hybrid material system. Electrochemical testing is performed using a potentio-galvanostat. The results show that gold sputtered nanowire carbon fiber hybrid provides 65.9% higher energy density than bare carbon fiber cloth as super-capacitor.

Numerical study of the small scale structures in Boussinesq convection

NASA Technical Reports Server (NTRS)

Weinan, E.; Shu, Chi-Wang

1992-01-01

Two-dimensional Boussinesq convection is studied numerically using two different methods: a filtered pseudospectral method and a high order accurate Essentially Nonoscillatory (ENO) scheme. The issue whether finite time singularity occurs for initially smooth flows is investigated. The numerical results suggest that the collapse of the bubble cap is unlikely to occur in resolved calculations. The strain rate corresponding to the intensification of the density gradient across the front saturates at the bubble cap. We also found that the cascade of energy to small scales is dominated by the formulation of thin and sharp fronts across which density jumps.

The any particle molecular orbital grid-based Hartree-Fock (APMO-GBHF) approach

NASA Astrophysics Data System (ADS)

Posada, Edwin; Moncada, Félix; Reyes, Andrés

2018-02-01

The any particle molecular orbital grid-based Hartree-Fock approach (APMO-GBHF) is proposed as an initial step to perform multi-component post-Hartree-Fock, explicitly correlated, and density functional theory methods without basis set errors. The method has been applied to a number of electronic and multi-species molecular systems. Results of these calculations show that the APMO-GBHF total energies are comparable with those obtained at the APMO-HF complete basis set limit. In addition, results reveal a considerable improvement in the description of the nuclear cusps of electronic and non-electronic densities.

Evolution of domain walls in the early universe. Ph.D. Thesis - Chicago Univ.

NASA Technical Reports Server (NTRS)

Kawano, Lawrence

1989-01-01

The evolution of domain walls in the early universe is studied via 2-D computer simulation. The walls are initially configured on a triangular lattice and then released from the lattice, their evolution driven by wall curvature and by the universal expansion. The walls attain an average velocity of about 0.3c and their surface area per volume (as measured in comoving coordinates) goes down with a slope of -1 with respect to conformal time, regardless of whether the universe is matter or radiation dominated. The additional influence of vacuum pressure causes the energy density to fall away from this slope and steepen, thus allowing a situation in which domain walls can constitute a significant portion of the energy density of the universe without provoking an unacceptably large perturbation upon the microwave background.

Plasma observations near Jupiter - Initial results from Voyager 1

NASA Technical Reports Server (NTRS)

Bridge, H. S.; Belcher, J. W.; Lazarus, A. J.; Sullivan, J. D.; Mcnutt, R. L.; Bagenal, F.; Scudder, J. D.; Sittler, E. C.; Siscoe, G. L.; Vasyliunas, V. M.

1979-01-01

Extensive measurements of low-energy positive ions and electrons were made throughout the Jupiter encounter of Voyager 1. The bow shock and magnetopause were crossed several times at distances consistent with variations in the upstream solar wind pressure measured on Voyager 2. During the inbound pass, the number density increased by six orders of magnitude between the innermost magnetopause crossing at approximately 47 Jupiter radii and near closest approach at approximately 5 Jupiter radii; the plasma flow during this period was predominately in the direction of corotation. Marked increases in number density were observed twice per planetary rotation, near the magnetic equator. Jupiterward of the Io plasma torus, a cold, corotating plasma was observed and the energy/charge spectra show well-resolved, heavy-ion peaks at mass-to-charge ratios equal to 8, 16, 32, and 64.

Nonlinear stability of solar type 3 radio bursts. 1: Theory

NASA Technical Reports Server (NTRS)

Smith, R. A.; Goldstein, M. L.; Papadopoulos, K.

1978-01-01

A theory of the excitation of solar type 3 bursts is presented. Electrons initially unstable to the linear bump-in-tail instability are shown to rapidly amplify Langmuir waves to energy densities characteristic of strong turbulence. The three-dimensional equations which describe the strong coupling (wave-wave) interactions are derived. For parameters characteristic of the interplanetary medium the equations reduce to one dimension. In this case, the oscillating two stream instability (OTSI) is the dominant nonlinear instability, and is stablized through the production of nonlinear ion density fluctuations that efficiently scatter Langmuir waves out of resonance with the electron beam. An analytical model of the electron distribution function is also developed which is used to estimate the total energy losses suffered by the electron beam as it propagates from the solar corona to 1 A.U. and beyond.

Computer simulations of electromagnetic cool ion beam instabilities. [in near earth space

NASA Technical Reports Server (NTRS)

Gary, S. P.; Madland, C. D.; Schriver, D.; Winske, D.

1986-01-01

Electromagnetic ion beam instabilities driven by cool ion beams at propagation parallel or antiparallel to a uniform magnetic field are studied using computer simulations. The elements of linear theory applicable to electromagnetic ion beam instabilities and the simulations derived from a one-dimensional hybrid computer code are described. The quasi-linear regime of the right-hand resonant ion beam instability, and the gyrophase bunching of the nonlinear regime of the right-hand resonant and nonresonant instabilities are examined. It is detected that in the quasi-linear regime the instability saturation is due to a reduction in the beam core relative drift speed and an increase in the perpendicular-to-parallel beam temperature; in the nonlinear regime the instabilities saturate when half the initial beam drift kinetic energy density is converted to fluctuating magnetic field energy density.

The Study of Compact Plasma Source of SXR of Vacuum Spark Type with Capillary Concentrator and It's Application

NASA Astrophysics Data System (ADS)

Kantsyrev, V. L.; Kopytok, K. I.; Shlyaptseva, A. S.

1994-03-01

The results are presented dealing with the working out and study of the plasma source of soft X-ray (SXR) of the new type. Experimental set up included compact low-inductance vacuum spark (LIVS) with initial energy supply equal up to 2.5 kJ and glass-capillary concentrator (GCC) of SXR. The characteristics of SXR of vacuum spark and properties of SXR were studied using diagnostic complex. The coefficient of conversion of initial energy supply into SXR (η) amounted to 0.01 in range 1.2nm. Value η had peak dependence on atomic number of anode Za. The spectra were recorded belonging to Ne-like, F-like ions of Fe, Cu ions and He-like, H-like ions of Al, Ti, Fe. Glass capillary concentrator consists of about several hundreds glass capillaries Flux density of SXR in focusing spot was up to 105-106 Wt/cm, density of energy is up to 20-30 mJ/cm2 at diameter of SXR focusing spot equal to about 2-3mm in the range 0.7-1.0 nm. The plasma source of the new type is intended for X-ray microscopy, study of influence of SXR on the surface of solid state. It allows to carry out experiments making only on electron synchrotronic sources of SXR.

A mathematical model of the passage of an asteroid-comet body through the Earth’s atmosphere

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

Shaydurov, V., E-mail: shaidurov04@mail.ru; Siberian Federal University, 79 Svobodny pr., 660041 Krasnoyarsk; Shchepanovskaya, G.

In the paper, a mathematical model and a numerical algorithm are proposed for modeling the complex of phenomena which accompany the passage of a friable asteroid-comet body through the Earth’s atmosphere: the material ablation, the dissociation of molecules, and the radiation. The proposed model is constructed on the basis of the Navier-Stokes equations for viscous heat-conducting gas with an additional equation for the motion and propagation of a friable lumpy-dust material in air. The energy equation is modified for the relation between two its kinds: the usual energy of the translation of molecules (which defines the temperature and pressure) andmore » the combined energy of their rotation, oscillation, electronic excitation, dissociation, and radiation. For the mathematical model of atmosphere, the distribution of density, pressure, and temperature in height is taken as for the standard atmosphere. An asteroid-comet body is taken initially as a round body consisting of a friable lumpy-dust material with corresponding density and significant viscosity which far exceed those for the atmosphere gas. A numerical algorithm is proposed for solving the initial-boundary problem for the extended system of Navier-Stokes equations. The algorithm is the combination of the semi-Lagrangian approximation for Lagrange transport derivatives and the conforming finite element method for other terms. The implementation of these approaches is illustrated by a numerical example.« less

Inflation in a closed universe

NASA Astrophysics Data System (ADS)

Ratra, Bharat

2017-11-01

To derive a power spectrum for energy density inhomogeneities in a closed universe, we study a spatially-closed inflation-modified hot big bang model whose evolutionary history is divided into three epochs: an early slowly-rolling scalar field inflation epoch and the usual radiation and nonrelativistic matter epochs. (For our purposes it is not necessary to consider a final dark energy dominated epoch.) We derive general solutions of the relativistic linear perturbation equations in each epoch. The constants of integration in the inflation epoch solutions are determined from de Sitter invariant quantum-mechanical initial conditions in the Lorentzian section of the inflating closed de Sitter space derived from Hawking's prescription that the quantum state of the universe only include field configurations that are regular on the Euclidean (de Sitter) sphere section. The constants of integration in the radiation and matter epoch solutions are determined from joining conditions derived by requiring that the linear perturbation equations remain nonsingular at the transitions between epochs. The matter epoch power spectrum of gauge-invariant energy density inhomogeneities is not a power law, and depends on spatial wave number in the way expected for a generalization to the closed model of the standard flat-space scale-invariant power spectrum. The power spectrum we derive appears to differ from a number of other closed inflation model power spectra derived assuming different (presumably non de Sitter invariant) initial conditions.

Anomaly transform methods based on total energy and ocean heat content norms for generating ocean dynamic disturbances for ensemble climate forecasts

NASA Astrophysics Data System (ADS)

Romanova, Vanya; Hense, Andreas

2017-08-01

In our study we use the anomaly transform, a special case of ensemble transform method, in which a selected set of initial oceanic anomalies in space, time and variables are defined and orthogonalized. The resulting orthogonal perturbation patterns are designed such that they pick up typical balanced anomaly structures in space and time and between variables. The metric used to set up the eigen problem is taken either as the weighted total energy with its zonal, meridional kinetic and available potential energy terms having equal contributions, or the weighted ocean heat content in which a disturbance is applied only to the initial temperature fields. The choices of a reference state for defining the initial anomalies are such that either perturbations on seasonal timescales and or on interannual timescales are constructed. These project a-priori only the slow modes of the ocean physical processes, such that the disturbances grow mainly in the Western Boundary Currents, in the Antarctic Circumpolar Current and the El Nino Southern Oscillation regions. An additional set of initial conditions is designed to fit in a least square sense data from global ocean reanalysis. Applying the AT produced sets of disturbances to oceanic initial conditions initialized by observations of the MPIOM-ESM coupled model on T63L47/GR15 resolution, four ensemble and one hind-cast experiments were performed. The weighted total energy norm is used to monitor the amplitudes and rates of the fastest growing error modes. The results showed minor dependence of the instabilities or error growth on the selected metric but considerable change due to the magnitude of the scaling amplitudes of the perturbation patterns. In contrast to similar atmospheric applications, we find an energy conversion from kinetic to available potential energy, which suggests a different source of uncertainty generation in the ocean than in the atmosphere mainly associated with changes in the density field.

Hydrodynamic evolution and jet energy loss in Cu + Cu collisions

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

Schenke, Bjoern; Department of Physics, McGill University, 3600 University Street, Montreal, Quebec, H3A 2T8; Jeon, Sangyong

2011-04-15

We present results from a hybrid description of Cu + Cu collisions using (3 + 1)-dimensional hydrodynamics (music) for the bulk evolution and a Monte Carlo simulation (martini) for the evolution of high-momentum partons in the hydrodynamical background. We explore the limits of this description by going to small system sizes and determine the dependence on different fractions of wounded nucleon and binary collisions scaling of the initial energy density. We find that Cu + Cu collisions are well described by the hybrid description at least up to 20% central collisions.

Generation of narrow energy spread ion beams via collisionless shock waves using ultra-intense 1 um wavelength laser systems

NASA Astrophysics Data System (ADS)

Albert, Felicie; Pak, A.; Kerr, S.; Lemos, N.; Link, A.; Patel, P.; Pollock, B. B.; Haberberger, D.; Froula, D.; Gauthier, M.; Glenzer, S. H.; Longman, A.; Manzoor, L.; Fedosejevs, R.; Tochitsky, S.; Joshi, C.; Fiuza, F.

2017-10-01

In this work, we report on electrostatic collisionless shock wave acceleration experiments that produced proton beams with peak energies between 10-17.5 MeV, with narrow energy spreads between Δ E / E of 10-20%, and with a total number of protons in these peaks of 1e7-1e8. These beams of ions were created by driving an electrostatic collisionless shock wave in a tailored near critical density plasma target using the ultra-intense ps duration Titan laser that operates at a wavelength of 1 um. The near critical density target was produced through the ablation of an initially 0.5 um thick Mylar foil with a separate low intensity laser. A narrow energy spread distribution of carbon / oxygen ions with a similar velocity to the accelerated proton distribution, consistent with the reflection and acceleration of ions from an electrostatic field, was also observed. This work was supported by Lawrence Livermore National Laboratory's Laboratory Directed Research and Development program under project 15-LW-095, and the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA2734.

Multiple laser pulse ignition method and apparatus

DOEpatents

Early, James W.

1998-01-01

Two or more laser light pulses with certain differing temporal lengths and peak pulse powers can be employed sequentially to regulate the rate and duration of laser energy delivery to fuel mixtures, thereby improving fuel ignition performance over a wide range of fuel parameters such as fuel/oxidizer ratios, fuel droplet size, number density and velocity within a fuel aerosol, and initial fuel temperatures.

Flexible Carbon Nanotube Modified Separator for High-Performance Lithium-Sulfur Batteries

PubMed Central

Liu, Bin; Wu, Xiaomeng; Wang, Shan; Tang, Zhen; Yang, Quanling; Hu, Guo-Hua; Xiong, Chuanxi

2017-01-01

Lithium-sulfur (Li-S) batteries have become promising candidates for electrical energy storage systems due to their high theoretical specific energy density, low cost and environmental friendliness. However, there are some technical obstacles of lithium-sulfur batteries to be addressed, such as the shuttle effect of polysulfides. Here, we introduced organically modified carbon nanotubes (CNTs) as a coating layer for the separator to optimize structure and enhance the performance of the Li-S battery. The results showed that the cell with a CNTs-coated separator exhibited an excellent cycling performance. Compared to the blank separator, the initial discharge capacity and the capacity after 100 cycles for the CNTs-coated separator was increased by 115% and 161%, respectively. Besides, according to the rate capability test cycling from 0.1C to 2C, the battery with a CNTs-coated separator still released a capacity amounting to 90.2% of the initial capacity, when the current density returned back to 0.1C. It is believed that the organically modified CNTs coating effectively suppresses the shuttle effect during the cycling. The employment of a CNTs-coated separator provides a promising approach for high-performance lithium-sulfur batteries. PMID:28933721

Flexible three-dimensional electrodes of hollow carbon bead strings as graded sulfur reservoirs and the synergistic mechanism for lithium-sulfur batteries

NASA Astrophysics Data System (ADS)

Yang, Dan; Ni, Wei; Cheng, Jianli; Wang, Zhuanpei; Wang, Ting; Guan, Qun; Zhang, Yun; Wu, Hao; Li, Xiaodong; Wang, Bin

2017-08-01

Three-dimensional (3D) flexible electrodes of stringed hollow nitrogen-doped (N-doped) carbon nanospheres as graded sulfur reservoirs and conductive frameworks were elaborately designed via a combination of the advantages of hollow structures, 3D electrodes and flexible devices. The as-prepared electrodes by a synergistic method of electrospinning, template sacrificing and activation for Li-S batteries without any binder or conductive additives but a 3D interconnected conductive network offered multiple transport paths for electrons and improved sulfur utilization and facilitated an easy access to Li+ ingress/egress. With the increase of density of hollow carbon spheres in the strings, the self-supporting composite electrode reveals an enhanced synergistic mechanism for sulfur confinement and displays a better cycling stability and rate performance. It delivers a high initial specific capacity of 1422.6 mAh g-1 at the current rate of 0.2C with the high sulfur content of 76 wt.%, and a much higher energy density of 754 Wh kg-1 and power density of 1901 Wh kg-1, which greatly improve the energy/power density of traditional lithium-sulfur batteries and will be promising for further commercial applications.

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

Isler, R.C.; Colchin, R.J.; Wade, M.R.

Collapses of stored energy are typically observed in low-density ({anti n}{sub e} {approx} 10{sup 13} cm{sup {minus}3}) extensively gettered ATF plasmas when the electron density rises to the ECH cutoff point, and the central heating is supplied only by neutral- beam-injection (NBI). However, the decline of stored energy can be avoided if the density is raised rapidly to about 5 {times} 10{sup 13} cm{sup {minus}3}. Three mechanisms have been proposed to explain the collapses: (1) impurity radiation, (2) excitation of an electron instability driven by the neutral beams, or (3) poor coupling of the beam ions to the thermal plasmas.more » Detailed spectroscopic studies of plasma cleanliness as a function of the gettering procedure have shown that radiation is an unlikely candidate for initiating collapses, although it may become an important loss mechanism once the electron temperature has fallen to a low level. No specific electron instability has yet been identified with injection, but recent experimental and computational work indicates that losses by shinethrough and charge exchange strongly influence the evolution of low-density plasmas. This report discusses the beam particle losses, thermal ions, and the evolution of radiation profiles.« less

Scaling of Energy Deposition in Fast Ignition Targets

NASA Astrophysics Data System (ADS)

Campbell, R. B.; Welch, Dale

2005-10-01

We examine the scaling to ignition of the energy deposition of laser generated electrons in compressed fast ignition cores. Relevant cores have densities of several hundred g/cm^3, with a few keV initial temperature. As the laser intensities increase approaching ignition systems, on the order of a few 10^21W/cm^2, the hot electron energies expected to approach 100MeV[1]. Most certainly anomalous processes must play a role in the energy transfer, but the exact nature of these processes, as well as a practical way to model them, remain open issues. Traditional PIC explicit methods are limited to low densities on current and anticipated computing platforms, so the study of relevant parameter ranges has received so far little attention. We use LSP[2] to examine a relativistic electron beam (presumed generated from a laser plasma interaction) of legislated energy and angular distribution is injected into a 3D block of compressed DT. Collective effects will determine the stopping, most likely driven by magnetic field filamentation. The scaling of the stopping as a function of block density and temperature, as well as hot electron current and laser intensity is presented. Sub-grid models may be profitably used and degenerate effects included in the solution of this problem. Sandia is operated by Sandia Corporation, for the USDOE. [1] A. Pukhov, et. al., Phys. Plas. 6, p2847 (1999) [2] D. R. Welch et al., Comput. Phys.Commun. 164, p183 (2004).

Iso-Oriented NaTi2(PO4)3 Mesocrystals as Anode Material for High-Energy and Long-Durability Sodium-Ion Capacitor.

PubMed

Wei, Tongye; Yang, Gongzheng; Wang, Chengxin

2017-09-20

Sodium-ion capacitors (SIC) combine the merits of both high-energy batteries and high-power electrochemical capacitors as well as the low cost and high safety. However, they are also known to suffer from the severe deficiency of suitable electrode materials with high initial Coulombic efficiency (ICE) and kinetic balance between both electrodes. Herein, we report a facile solvothermal synthesis of NaTi 2 (PO 4 ) 3 nanocages constructed by iso-oriented tiny nanocrystals with a mesoporous architecture. It is notable that the NaTi 2 (PO 4 ) 3 mesocrystals exhibit a large ICE of 94%, outstanding rate capability (98 mA h g -1 at 10 C), and long cycling life (over 77% capacity retention after 10 000 cycles) in half cells, all of which are in favor to be utilized into a full cell. When assembled with commercial activated carbon to an SIC, the system delivers an energy density of 56 Wh kg -1 at a power density of 39 W kg -1 . Even at a high current rate of 5 A g -1 (corresponds to finish a full charge/discharge process in 2 min), the SIC still works well after 20 000 cycles without obvious capacity degradation. With the merits of impressive energy/power densities and longevity, the obtained hybrid capacitor should be a promising device for highly efficient energy storage systems.

Object Kinetic Monte Carlo Simulations of Radiation Damage In Bulk Tungsten

NASA Astrophysics Data System (ADS)

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard; Roche, Kenneth; Kurtz, Richard; Wirth, Brian

2015-11-01

Results are presented for the evolution of radiation damage in bulk tungsten investigated using the object KMC simulation tool, KSOME, as a function of dose, dose rate and primary knock-on atom (PKA) energies in the range of 10 to 100 keV, at temperatures of 300, 1025 and 2050 K. At 300 K, the number density of vacancies changes minimally with dose rate while the number density of vacancy clusters slightly decreases with dose rate indicating that larger clusters are formed at higher dose rates. Although the average vacancy cluster size increases slightly, the vast majority exists as mono-vacancies. At 1025 K void lattice formation was observed at all dose rates for cascades below 60 keV and at lower dose rates for higher PKA energies. After the appearance of initial features of the void lattice, vacancy cluster density increased minimally while the average vacancy cluster size increases rapidly with dose. At 2050 K, no accumulation of defects was observed over a broad range of dose rates for all PKA energies studied in this work. Further comparisons of results of irradiation simulations at various dose rates and PKA spectra, representative of the High Flux Isotope Reactor and future fusion relevant irradiation facilities will be discussed. The U.S. Department of Energy, Office of Fusion Energy Sciences (FES) and Office of Advanced Scientific Computing Research (ASCR) has supported this study through the SciDAC-3 program.

Correlates of Harlequin Duck densities during winter in Prince William Sound, Alaska

USGS Publications Warehouse

Esler, Daniel N.; Bowman, Timothy D.; Dean, T.A.; O'Clair, Charles E.; Jewett, S.C.; McDonald, L.L.

2000-01-01

We evaluated relationships of Harlequin Duck (Histrionicus histrionicus) densities to habitat attributes, history of habitat contamination by the 1989 Exxon Valdez oil spill, and prey biomass density and abundance during winters 1995-1997 in Prince William Sound, Alaska. Habitat features that explained variation in duck densities included distance to streams and reefs, degree of exposure to wind and wave action, and dominant substrate type. After accounting for these effects, densities were lower in oiled than unoiled areas, suggesting that population recovery from the oil spill was not complete, due either to lack of recovery from initial oil spill effects or continuing deleterious effects. Prey biomass density and abundance were not strongly related to duck densities after accounting for habitat and area effects. Traits of Harlequin Ducks that reflect their affiliation with naturally predictable winter habitats, such as strong site fidelity and intolerance of increased energy costs, may make their populations particularly vulnerable to chronic oil spill effects and slow to recover from population reductions, which may explain lower densities than expected on oiled areas nearly a decade following the oil spill.

Observation and analysis of emergent coherent structures in a high-energy-density shock-driven planar mixing layer experiment

DOE PAGES

Doss, Forrest William; Flippo, Kirk Adler; Merritt, Elizabeth Catherine

2016-08-03

Coherent emergent structures have been observed in a high-energy-density supersonic mixing layer experiment. A millimeter-scale shock tube uses lasers to drive Mbar shocks into the tube volume. The shocks are driven into initially solid foam (60 mg/cm 3) hemicylinders separated by an Al or Ti metal tracer strip; the components are vaporized by the drive. Before the experiment disassembles, the shocks cross at the tube center, creating a very fast (ΔU > 200 km/s) shear-unstable zone. After several nanoseconds, an expanding mixing layer is measured, and after 10+ ns we observe the appearance of streamwise-periodic, spanwise-aligned rollers associated with themore » primary Kelvin-Helmholtz instability of mixing layers. We additionally image roller pairing and spanwise-periodic streamwise-aligned filaments associated with secondary instabilities. New closures are derived to connect length scales of these structures to estimates of fluctuating velocity data otherwise unobtainable in the high-energy-density environment. Finally, this analysis indicates shear-induced specific turbulent energies 10 3 – 10 4 times higher than the nearest conventional experiments. Because of difficulties in continuously driving systems under these conditions and the harshness of the experimental environment limiting the usable diagnostics, clear evidence of these developing structures has never before been observed in this regime.« less

A Robust Hybrid Zn-Battery with Ultralong Cycle Life.

PubMed

Li, Bing; Quan, Junye; Loh, Adeline; Chai, Jianwei; Chen, Ye; Tan, Chaoliang; Ge, Xiaoming; Hor, T S Andy; Liu, Zhaolin; Zhang, Hua; Zong, Yun

2017-01-11

Advanced batteries with long cycle life and capable of harnessing more energies from multiple electrochemical reactions are both fundamentally interesting and practically attractive. Herein, we report a robust hybrid zinc-battery that makes use of transition-metal-based redox reaction (M-O-OH → M-O, M = Ni and Co) and oxygen reduction reaction (ORR) to deliver more electrochemical energies of comparably higher voltage with much longer cycle life. The hybrid battery was constructed using an integrated electrode of NiCo 2 O 4 nanowire arrays grown on carbon-coated nickel foam, coupled with a zinc plate anode in alkaline electrolyte. Benefitted from the M-O/M-O-OH redox reactions and rich ORR active sites in NiCo 2 O 4 , the battery has concurrently exhibited high working voltage (by M-O-OH → M-O) and high energy density (by ORR). The good oxygen evolution reaction (OER) activity of the electrode and the reversible M-O ↔ M-O-OH reactions also enabled smooth recharging of the batteries, leading to excellent cycling stabilities. Impressively, the hybrid batteries maintained highly stable charge-discharge voltage profile under various testing conditions, for example, almost no change was observed over 5000 cycles at a current density of 5 mA cm -2 after some initial stabilization. With merits of higher working voltage, high energy density, and ultralong cycle life, such hybrid batteries promise high potential for practical applications.

Diagrams for comprehensive molecular orbital-based chemical reaction analyses: reactive orbital energy diagrams.

PubMed

Tsuneda, Takao; Singh, Raman Kumar; Chattaraj, Pratim Kumar

2018-05-15

Reactive orbital energy diagrams are presented as a tool for comprehensively performing orbital-based reaction analyses. The diagrams rest on the reactive orbital energy theory, which is the expansion of conceptual density functional theory (DFT) to an orbital energy-based theory. The orbital energies on the intrinsic reaction coordinates of fundamental reactions are calculated by long-range corrected DFT, which is confirmed to provide accurate orbital energies of small molecules, combining with a van der Waals (vdW) correlation functional, in order to examine the vdW effect on the orbital energies. By analysing the reactions based on the reactive orbital energy theory using these accurate orbital energies, it is found that vdW interactions significantly affect the orbital energies in the initial reaction processes and that more than 70% of reactions are determined to be initially driven by charge transfer, while the remaining structural deformation (dynamics)-driven reactions are classified into identity, cyclization and ring-opening, unimolecular dissociation, and H2 reactions. The reactive orbital energy diagrams, which are constructed using these results, reveal that reactions progress so as to delocalize the occupied reactive orbitals, which are determined as contributing orbitals and are usually not HOMOs, by hybridizing the unoccupied reactive orbitals, which are usually not LUMOs. These diagrams also raise questions about conventional orbital-based diagrams such as frontier molecular orbital diagrams, even for the well-established interpretation of Diels-Alder reactions.

ELECTRIC CURRENT FILAMENTATION AT A NON-POTENTIAL MAGNETIC NULL-POINT DUE TO PRESSURE PERTURBATION

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

Jelínek, P.; Karlický, M.; Murawski, K., E-mail: pjelinek@prf.jcu.cz

2015-10-20

An increase of electric current densities due to filamentation is an important process in any flare. We show that the pressure perturbation, followed by an entropy wave, triggers such a filamentation in the non-potential magnetic null-point. In the two-dimensional (2D), non-potential magnetic null-point, we generate the entropy wave by a negative or positive pressure pulse that is launched initially. Then, we study its evolution under the influence of the gravity field. We solve the full set of 2D time dependent, ideal magnetohydrodynamic equations numerically, making use of the FLASH code. The negative pulse leads to an entropy wave with amore » plasma density greater than in the ambient atmosphere and thus this wave falls down in the solar atmosphere, attracted by the gravity force. In the case of the positive pressure pulse, the plasma becomes evacuated and the entropy wave propagates upward. However, in both cases, owing to the Rayleigh–Taylor instability, the electric current in a non-potential magnetic null-point is rapidly filamented and at some locations the electric current density is strongly enhanced in comparison to its initial value. Using numerical simulations, we find that entropy waves initiated either by positive or negative pulses result in an increase of electric current densities close to the magnetic null-point and thus the energy accumulated here can be released as nanoflares or even flares.« less

Energy density of bloaters in the upper Great Lakes

USGS Publications Warehouse

Pothoven, Steven A.; Bunnell, David B.; Madenjian, Charles P.; Gorman, Owen T.; Roseman, Edward F.

2012-01-01

We evaluated the energy density of bloaters Coregonus hoyi as a function of fish size across Lakes Michigan, Huron, and Superior in 2008–2009 and assessed how differences in energy density are related to factors such as biomass density of bloaters and availability of prey. Additional objectives were to compare energy density between sexes and to compare energy densities of bloaters in Lake Michigan between two time periods (1998–2001 and 2008–2009). For the cross-lake comparisons in 2008, energy density increased with fish total length (TL) only in Lake Michigan. Mean energy density adjusted for fish size was 8% higher in bloaters from Lake Superior than in bloaters from Lake Huron. Relative to fish in these two lakes, small (175 mm TL) bloaters had higher energy density. In 2009, energy density increased with bloater size, and mean energy density adjusted for fish size was about 9% higher in Lake Michigan than in Lake Huron (Lake Superior was not sampled during 2009). Energy density of bloaters in Lake Huron was generally the lowest among lakes, reflecting the relatively low densities of opossum shrimp Mysis diluviana and the relatively high biomass of bloaters reported for that lake. Other factors, such as energy content of prey, growing season, or ontogenetic differences in energy use strategies, may also influence cross-lake variation in energy density. Mean energy density adjusted for length was 7% higher for female bloaters than for male bloaters in Lakes Michigan and Huron. In Lake Superior, energy density did not differ between males and females. Finally, energy density of bloaters in Lake Michigan was similar between the periods 2008–2009 and 1998–2001, possibly due to a low population abundance of bloaters, which could offset food availability changes linked to the loss of prey such as the amphipods Diporeia spp.

Propagation of a laser beam in a time-varying waveguide. [plasma heating for controlled fusion

NASA Technical Reports Server (NTRS)

Chapman, J. M.; Kevorkian, J.

1978-01-01

The propagation of an axisymmetric laser beam in a plasma column having a radially parabolic electron density distribution is reported. For the case of an axially uniform waveguide it is found that the basic characteristics of alternating focusing and defocusing beams are maintained. However, the intensity distribution is changed at the foci and outer-beam regions. The features of paraxial beam propagation are discussed with reference to axially varying waveguides. Laser plasma coupling is considered noting the case where laser heating produces a density distribution radially parabolic near the axis and the energy absorbed over the focal length of the plasma is small. It is found that: (1) beam-propagation stability is governed by the relative magnitude of the density fluctuations existing in the axial variation of the waveguides due to laser heating, and (2) for beam propagation in a time-varying waveguide, the global instability of the propagation is a function of the initial fluctuation growth rate as compared to the initial time rate of change in the radial curvature of the waveguide.

Effect of microstructure on the detonation initiation in energetic materials

NASA Astrophysics Data System (ADS)

Zhang, J.; Jackson, T. L.

2017-12-01

In this work we examine the role of the microstructure on detonation initiation of energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The deposition term is based on simulations of void collapse at the microscale, modeled at the mesoscale as hot-spots, while the reaction rate at the mesoscale is modeled using density-based kinetics. We carry out two-dimensional simulations of random packs of HMX crystals in a binder. We show that mean particle size, size distribution, and particle shape have a major effect on the transition between detonation and no-detonation, thus highlighting the importance of the microstructure for shock-induced initiation.

Lightning energetics: Estimates of energy dissipation in channels, channel radii, and channel-heating risetimes

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

Borovsky, J.E.

1998-05-01

In this report, several lightning-channel parameters are calculated with the aid of an electrodynamic model of lightning. The electrodynamic model describes dart leaders and return strokes as electromagnetic waves that are guided along conducting lightning channels. According to the model, electrostatic energy is delivered to the channel by a leader, where it is stored around the outside of the channel; subsequently, the return stroke dissipates this locally stored energy. In this report this lightning-energy-flow scenario is developed further. Then the energy dissipated per unit length in lightning channels is calculated, where this quantity is now related to the linear chargemore » density on the channel, not to the cloud-to-ground electrostatic potential difference. Energy conservation is then used to calculate the radii of lightning channels: their initial radii at the onset of return strokes and their final radii after the channels have pressure expanded. Finally, the risetimes for channel heating during return strokes are calculated by defining an energy-storage radius around the channel and by estimating the radial velocity of energy flow toward the channel during a return stroke. In three appendices, values for the linear charge densities on lightning channels are calculated, estimates of the total length of branch channels are obtained, and values for the cloud-to-ground electrostatic potential difference are estimated. {copyright} 1998 American Geophysical Union« less

Alfvén Waves Generated by Expanding Plasmas in the Laboratory and in Space

NASA Astrophysics Data System (ADS)

Gekelman, W.; Vanzeeland, M.; Vincena, S.; Pribyl, P.

2002-12-01

There are many situations, which occur in space (coronal mass ejections, supernovas), or are man-made (upper atmospheric detonations) in which a dense plasma expands into a background magnetized plasma, that can support Alfvén waves. The LArge Plasma Device (LAPD) is a machine, at UCLA, in which Alfvén waves propagation in homogeneous and inhomogeneous plasmas has been studied. These will be briefly reviewed. Then a new class of experiments which involve the expansion of a dense (initially, n/no>>1) laser-produced plasma into an ambient highly magnetized background plasma capable of supporting Alfvén waves will be presented. The 150 MW laser is pulsed at the same 1 Hz repetition rate as the plasma in a highly reproducible experiment. The laser beam impacts a solid target such that the initial plasma burst is directed either along or across the magnetic field. The interaction results in the production of intense shear and compressional Alfvén waves, as well as large density perturbations. The waves propagate away from the target and are observed to become plasma column resonances. The magnetic fields of the waves are obtained with a 3-axis inductive probe. Spatial patterns of the magnetic fields associated with the waves and density perturbations are measured at over {10}4 locations and will be shown in dramatic movies. These are used to estimate the coupling efficiency of the laser energy and kinetic energy of the dense plasma into wave energy. The wave generation mechanism is due to field aligned return currents, which replace fast electrons escaping the initial blast. Work supported by ONR, DOE, and NSF

Characterization of rarefaction waves in van der Waals fluids

NASA Astrophysics Data System (ADS)

Yuen, Albert; Barnard, John J.

2015-12-01

We calculate the isentropic evolution of an instantaneously heated foil, assuming a van der Waals equation of state with the Maxwell construction. The analysis by Yuen and Barnard [Phys. Rev. E 92, 033019 (2015), 10.1103/PhysRevE.92.033019] is extended for the particular case of three degrees of freedom. We assume heating to temperatures in the vicinity of the critical point. The self-similar profiles of the rarefaction waves describing the evolution of the foil display plateaus in density and temperature due to a phase transition from the single-phase to the two-phase regime. The hydrodynamic equations are expressed in a dimensionless form and the solutions form a set of universal curves, depending on a single parameter: the dimensionless initial entropy. We characterize the rarefaction waves by calculating how the plateau length, density, pressure, temperature, velocity, internal energy, and sound speed vary with dimensionless initial entropy.

Magnetic fields in turbulent quark matter and magnetar bursts

NASA Astrophysics Data System (ADS)

Dvornikov, Maxim

We analyze the magnetic field evolution in dense quark matter with unbroken chiral symmetry, which can be found inside quark and hybrid stars. The magnetic field evolves owing to the chiral magnetic effect in the presence of the electroweak interaction between quarks. In our study, we also take into account the magnetohydrodynamic turbulence effects in dense quark matter. We derive the kinetic equations for the spectra of the magnetic helicity density and the magnetic energy density as well as for the chiral imbalances. On the basis of the numerical solution of these equations, we find that turbulence effects are important for the behavior of small scale magnetic fields. It is revealed that, under certain initial conditions, these magnetic fields behave similarly to the electromagnetic flashes of some magnetars. We suggest that fluctuations of magnetic fields, described in frames of our model, which are created in the central regions of a magnetized compact star, can initiate magnetar bursts.

Buckybomb: Reactive Molecular Dynamics Simulation

DOE PAGES

Chaban, Vitaly V.; Fileti, Eudes Eterno; Prezhdo, Oleg V.

2015-02-24

Energetic materials, such as explosives, propellants, and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special group because of the high density of energetic covalent bonds. The reactive molecular dynamics (ReaxFF) study of nitrofullerene decomposition reported here provides a detailed chemical mechanism of explosion of a nanoscale carbon material. Upon initial heating, C 60(NO 2) 12 disintegrates, increasing temperature and pressure by thousands of Kelvins and bars within tens of picoseconds. The explosion starts with NO 2 group isomerization into C-O-N-O, followed by emission of NO molecules and formation of CO groups on the buckyballmore » surface. NO oxidizes into NO 2, and C 60 falls apart, liberating CO 2. At the highest temperatures, CO 2 gives rise to diatomic carbon. Lastly, the study shows that the initiation temperature and released energy depend strongly on the chemical composition and density of the material.« less

Collapsing Radiative Shocks in Xenon Gas on the Omega Laser

NASA Astrophysics Data System (ADS)

Reighard, A. B.; Glendinning, S. G.; Knauer, J.; Bouquet, S.; Koenig, M.

2005-10-01

A number of astrophysical systems involve radiative shocks that collapse spatially in response to energy lost through radiation, producing thin shells believed to be Vishniac unstable. We report experiments intended to study such collapsing shocks. The Omega laser drives a thin slab of material at >100 km/s through Xe gas. Simulations predict a collapsed layer in which the density reaches 45 times initial density. X-ray backlighting techniques have yielded images of a collapsed shock compressed to <1/25 its initial thickness (45 μm) at a speed of ˜100 km/s when the shock has traveled 1.3 mm. Optical depth before and behind the shock is important for comparison to astrophysical systems. This research was sponsored by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Research Grants DE-FG52-03NA00064, DE-FG53-2005-NA26014, and other grants and contracts.

Exact solution of the Lifshitz equations governing the growth of fluctuations in cosmology

NASA Technical Reports Server (NTRS)

Adams, P. J.; Canuto, V.

1975-01-01

The exact solution of the Lifshitz equations governing the cosmological evolution of an initial fluctuation is presented. Lifshitz results valid for squares of the sound velocity equal to zero and 1/3 are extended in closed form to any equation of state where the pressure equals the total energy density times the square of the sound velocity. The solutions embody all the results found previously for special cases of the square of the sound velocity. It is found that the growth of any initial fluctuation is only an exponential function of time with an exponent of not more than 4/3 and is insufficient to produce galaxies unless the initial fluctuation is very large. A possible way to produce very large initial fluctuations by modifying the equation of state by including gravitational interactions is also examined. It is found that a phase transition can occur at baryonic density of 1 nucleon per cubic Planck length or equivalently, at a time of about 10 to the -43rd power sec. At those early times, the masses allowed by causality requirements are too small to be of interest in galaxy formation.

Cosmology with a stiff matter era

NASA Astrophysics Data System (ADS)

Chavanis, Pierre-Henri

2015-11-01

We consider the possibility that the Universe is made of a dark fluid described by a quadratic equation of state P =K ρ2 , where ρ is the rest-mass density and K is a constant. The energy density ɛ =ρ c2+K ρ2 is the sum of two terms: a rest-mass term ρ c2 that mimics "dark matter" (P =0 ) and an internal energy term u =K ρ2=P that mimics a "stiff fluid" (P =ɛ ) in which the speed of sound is equal to the speed of light. In the early universe, the internal energy dominates and the dark fluid behaves as a stiff fluid (P ˜ɛ , ɛ ∝a-6). In the late universe, the rest-mass energy dominates and the dark fluid behaves as pressureless dark matter (P ≃0 , ɛ ∝a-3). We provide a simple analytical solution of the Friedmann equations for a universe undergoing a stiff matter era, a dark matter era, and a dark energy era due to the cosmological constant. This analytical solution generalizes the Einstein-de Sitter solution describing the dark matter era, and the Λ CDM model describing the dark matter era and the dark energy era. Historically, the possibility of a primordial stiff matter era first appeared in the cosmological model of Zel'dovich where the primordial universe is assumed to be made of a cold gas of baryons. A primordial stiff matter era also occurs in recent cosmological models where dark matter is made of relativistic self-gravitating Bose-Einstein condensates (BECs). When the internal energy of the dark fluid mimicking stiff matter is positive, the primordial universe is singular like in the standard big bang theory. It expands from an initial state with a vanishing scale factor and an infinite density. We consider the possibility that the internal energy of the dark fluid is negative (while, of course, its total energy density is positive), so that it mimics anti-stiff matter. This happens, for example, when the BECs have an attractive self-interaction with a negative scattering length. In that case, the primordial universe is nonsingular and bouncing like in loop quantum cosmology. At t =0 , the scale factor is finite and the energy density is equal to zero. The universe first has a phantom behavior where the energy density increases with the scale factor, then a normal behavior where the energy density decreases with the scale factor. For the sake of generality, we consider a cosmological constant of arbitrary sign. When the cosmological constant is positive, the Universe asymptotically reaches a de Sitter regime where the scale factor increases exponentially rapidly with time. This can account for the accelerating expansion of the Universe that we observe at present. When the cosmological constant is negative (anti-de Sitter), the evolution of the Universe is cyclic. Therefore, depending on the sign of the internal energy of the dark fluid and on the sign of the cosmological constant, we obtain analytical solutions of the Friedmann equations describing singular and nonsingular expanding, bouncing, or cyclic universes.

Stabilization of Lithium-Metal Batteries Based on the in Situ Formation of a Stable Solid Electrolyte Interphase Layer.

PubMed

Park, Seong-Jin; Hwang, Jang-Yeon; Yoon, Chong S; Jung, Hun-Gi; Sun, Yang-Kook

2018-05-30

Lithium (Li) metals have been considered most promising candidates as an anode to increase the energy density of Li-ion batteries because of their ultrahigh specific capacity (3860 mA h g -1 ) and lowest redox potential (-3.040 V vs standard hydrogen electrode). However, unstable dendritic electrodeposition, low Coulombic efficiency, and infinite volume changes severely hinder their practical uses. Herein, we report that ethyl methyl carbonate (EMC)- and fluoroethylene carbonate (FEC)-based electrolytes significantly enhance the energy density and cycling stability of Li-metal batteries (LMBs). In LMBs, using commercialized Ni-rich Li[Ni 0.6 Co 0.2 Mn 0.2 ]O 2 (NCM622) and 1 M LiPF 6 in EMC/FEC = 3:1 electrolyte exhibits a high initial capacity of 1.8 mA h cm -2 with superior cycling stability and high Coulombic efficiency above 99.8% for 500 cycles while delivering a unprecedented energy density. The present work also highlights a significant improvement in scaled-up pouch-type Li/NCM622 cells. Moreover, the postmortem characterization of the cycled cathodes, separators, and Li-metal anodes collected from the pouch-type Li/NCM622 cells helped identifying the improvement or degradation mechanisms behind the observed electrochemical cycling.

ZaP-HD: High Energy Density Z-Pinch Plasmas using Sheared Flow Stabilization

NASA Astrophysics Data System (ADS)

Golingo, R. P.; Shumlak, U.; Nelson, B. A.; Claveau, E. L.; Doty, S. A.; Forbes, E. G.; Hughes, M. C.; Kim, B.; Ross, M. P.; Weed, J. R.

2015-11-01

The ZaP-HD flow Z-pinch project investigates scaling the flow Z-pinch to High Energy Density Plasma, HEDP, conditions by using sheared flow stabilization. ZaP used a single power supply to produce 100 cm long Z-pinches that were quiescent for many radial Alfven times and axial flow-through times. The flow Z-pinch concept provides an approach to achieve HED plasmas, which are dimensionally large and persist for extended durations. The ZaP-HD device replaces the single power supply from ZaP with two separate power supplies to independently control the plasma flow and current in the Z-pinch. Equilibrium is determined by diagnostic measurements of the density with interferometry and digital holography, the plasma flow and temperature with passive spectroscopy, the magnetic field with surface magnetic probes, and plasma emission with optical imaging. The diagnostics fully characterize the plasma from its initiation in the coaxial accelerator, through the pinch, and exhaust from the assembly region. The plasma evolution is modeled with high resolution codes: Mach2, WARPX, and NIMROD. Experimental results and scaling analyses are presented. This work is supported by grants from the U.S. Department of Energy and the U.S. National Nuclear Security Administration.

All-Solid-State High-Energy Asymmetric Supercapacitors Enabled by Three-Dimensional Mixed-Valent MnOx Nanospike and Graphene Electrodes.

PubMed

Yang, Jie; Li, Guizhu; Pan, Zhenghui; Liu, Meinan; Hou, Yuan; Xu, Yijun; Deng, Hong; Sheng, Leimei; Zhao, Xinluo; Qiu, Yongcai; Zhang, Yuegang

2015-10-14

Three-dimensional (3D) nanostructures enable high-energy storage devices. Here we report a 3D manganese oxide nanospike (NSP) array electrode fabricated by anodization and subsequent electrodeposition. All-solid-state asymmetric supercapacitors were assembled with the 3D Al@Ni@MnOx NSP as the positive electrode, chemically converted graphene (CCG) as the negative electrode, and Na2SO4/poly(vinyl alcohol) (PVA) as the polymer gel electrolyte. Taking advantage of the different potential windows of Al@Ni@MnOx NSP and CCG electrodes, the asymmetric supercapacitor showed an ideal capacitive behavior with a cell voltage up to 1.8 V, capable of lighting up a red LED indicator (nominal voltage of 1.8 V). The device could deliver an energy density of 23.02 W h kg(-1) at a current density of 1 A g(-1). It could also preserve 96.3% of its initial capacitance at a current density of 2 A g(-1) after 10000 charging/discharging cycles. The remarkable performance is attributed to the unique 3D NSP array structure that could play an important role in increasing the effective electrode surface area, facilitating electrolyte permeation, and shortening the electron pathway in the active materials.

Aluminum manganese oxides with mixed crystal structure: high-energy-density cathodes for rechargeable sodium batteries.

PubMed

Han, Dong-Wook; Ku, Jun-Hwan; Kim, Ryoung-Hee; Yun, Dong-Jin; Lee, Seok-Soo; Doo, Seok-Gwang

2014-07-01

We report a new discovery for enhancing the energy density of manganese oxide (Nax MnO2 ) cathode materials for sodium rechargeable batteries by incorporation of aluminum. The Al incorporation results in NaAl(0.1) Mn(0.9) O2 with a mixture of tunnel and layered crystal structures. NaAl(0.1) Mn(0.9) O2 shows a much higher initial discharge capacity and superior cycling performance compared to pristine Na(0.65) MnO2 . We ascribe this enhancement in performance to the formation of a new orthorhombic layered NaMnO2 phase merged with a small amount of tunnel Na(0.44) MnO2 phase in NaAl(0.1) Mn(0.9) O2 , and to improvements in the surface stability of the NaAl(0.1) Mn(0.9) O2 particles caused by the formation of Al-O bonds on their surfaces. Our findings regarding the phase transformation and structure stabilization induced by incorporation of aluminum, closely related to the structural analogy between orthorhombic Na(0.44) MnO2 and NaAl(0.1) Mn(0.9) O2 , suggest a strategy for achieving sodium rechargeable batteries with high energy density and stability. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Milagro limits and HAWC sensitivity for the rate-density of evaporating primordial black holes

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

Abdo, A. A.; Abeysekara, A. U.; Alfaro, R.

Primordial Black Holes (PBHs) are gravitationally collapsed objects that may have been created by density fluctuations in the early universe and could have arbitrarily small masses down to the Planck scale. Hawking showed that due to quantum effects, a black hole has a temperature inversely proportional to its mass and will emit all species of fundamental particles thermally. PBHs with initial masses of ~ 5.0 × 10¹⁴ g should be expiring in the present epoch with bursts of high-energy particles, including gamma radiation in the GeV – TeV energy range. The Milagro high energy observatory, which operated from 2000 tomore » 2008, is sensitive to the high end of the PBH evaporation gamma-ray spectrum. Due to its large field-of-view, more than 90% duty cycle and sensitivity up to 100 TeV gamma rays, the Milagro observatory is well suited to perform a search for PBH bursts. Based on a search on the Milagro data, we report new PBH burst rate density upper limits over a range of PBH observation times. In addition, we report the sensitivity of the Milagro successor, the High Altitude Water Cherenkov (HAWC) observatory, to PBH evaporation events.« less

Milagro limits and HAWC sensitivity for the rate-density of evaporating primordial black holes

DOE PAGES

Abdo, A. A.; Abeysekara, A. U.; Alfaro, R.; ...

2015-04-01

Primordial Black Holes (PBHs) are gravitationally collapsed objects that may have been created by density fluctuations in the early universe and could have arbitrarily small masses down to the Planck scale. Hawking showed that due to quantum effects, a black hole has a temperature inversely proportional to its mass and will emit all species of fundamental particles thermally. PBHs with initial masses of ~ 5.0 × 10¹⁴ g should be expiring in the present epoch with bursts of high-energy particles, including gamma radiation in the GeV – TeV energy range. The Milagro high energy observatory, which operated from 2000 tomore » 2008, is sensitive to the high end of the PBH evaporation gamma-ray spectrum. Due to its large field-of-view, more than 90% duty cycle and sensitivity up to 100 TeV gamma rays, the Milagro observatory is well suited to perform a search for PBH bursts. Based on a search on the Milagro data, we report new PBH burst rate density upper limits over a range of PBH observation times. In addition, we report the sensitivity of the Milagro successor, the High Altitude Water Cherenkov (HAWC) observatory, to PBH evaporation events.« less

Treatment of highly concentrated tannery wastewater using electrocoagulation: Influence of the quality of aluminium used for the electrode.

PubMed

Elabbas, S; Ouazzani, N; Mandi, L; Berrekhis, F; Perdicakis, M; Pontvianne, S; Pons, M-N; Lapicque, F; Leclerc, J-P

2016-12-05

This paper deals with the ability of electrocoagulation (EC) to remove simultaneously COD and chromium from a real chrome tanning wastewater in a batch stirred electro-coagulation cell provided with two aluminium-based electrodes (aluminium/copper/magnesium alloy and pure aluminium). Effects of operating time, current density and initial concentration of Cr(III) and COD have been investigated. The concentrations of pollutants have been successfully reduced to environmentally acceptable levels even if the concentrated effluent requires a long time of treatment of around 6h with a 400A/m(2) current density. The aluminium alloy was found to be more efficient than pure aluminium for removal of COD and chromium. Dilution of the waste has been tested for treatment: high abatement levels could be obtained with shorter time of treatment and lower current densities. Energy consumption of the electrocoagulation process was also discussed. The dilution by half of the concentrated waste leads to a higher abatement performance of both COD and chromium with the best energy efficiency. Copyright © 2016 Elsevier B.V. All rights reserved.

Pulsed power molten salt battery

NASA Technical Reports Server (NTRS)

Argade, Shyam D.

1992-01-01

It was concluded that carbon cathodes with chlorine work well. Lithium alloy chlorine at 450 C, 1 atm given high power capability, high energy density, DC + pulsing yields 600 pulses, no initial peak, and can go to red heat without burn-up. Electrochemical performance at the cell and cell stack level out under demanding test regime. Engineering and full prototype development for advancing this technology is warranted.

Addendum to strangeness production and color deconfinement

NASA Astrophysics Data System (ADS)

Castorina, P.; Plumari, S.; Satz, H.

Recent extensive data from the beam energy scan of the STAR collaboration at BNL-RHIC provide the basis for a detailed update for the universal behavior of the strangeness suppression factor γs as function of the initial entropy density as proposed in our recent paper (P. Castorina, S Plumari and H. Satz, Int. J. Mod. Phys. E 26 (2017) 1750081, arXiv:1709.02706 [nucl-th]).

Multiple laser pulse ignition method and apparatus

DOEpatents

Early, J.W.

1998-05-26

Two or more laser light pulses with certain differing temporal lengths and peak pulse powers can be employed sequentially to regulate the rate and duration of laser energy delivery to fuel mixtures, thereby improving fuel ignition performance over a wide range of fuel parameters such as fuel/oxidizer ratios, fuel droplet size, number density and velocity within a fuel aerosol, and initial fuel temperatures. 18 figs.

Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H2 on Ag(111)

NASA Astrophysics Data System (ADS)

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

2017-06-01

Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on the fly from density functional theory, we find strong mode dependence and a dominance of nonadiabatic energy loss along the bond stretch coordinate for scattering and dissociative chemisorption of H2 on the Ag(111) surface. Exemplary trajectories with varying initial conditions indicate that this mode specificity translates into modulated energy loss during a dissociative chemisorption event. Despite minor nonadiabatic energy loss of about 5%, the directionality of friction forces induces dynamical steering that affects individual reaction outcomes, specifically for low-incidence energies and vibrationally excited molecules. Mode-specific friction induces enhanced loss of rovibrational rather than translational energy and will be most visible in its effect on final energy distributions in molecular scattering experiments.

Semiconductor bridge (SCB) detonator

DOEpatents

Bickes, R.W. Jr.; Grubelich, M.C.

1999-01-19

The present invention is a low-energy detonator for high-density secondary-explosive materials initiated by a semiconductor bridge (SCB) igniter that comprises a pair of electrically conductive lands connected by a semiconductor bridge. The semiconductor bridge is in operational or direct contact with the explosive material, whereby current flowing through the semiconductor bridge causes initiation of the explosive material. Header wires connected to the electrically-conductive lands and electrical feed-throughs of the header posts of explosive devices, are substantially coaxial to the direction of current flow through the SCB, i.e., substantially coaxial to the SCB length. 3 figs.

Issues with Strong Compression of Plasma Target by Stabilized Imploding Liner

NASA Astrophysics Data System (ADS)

Turchi, Peter; Frese, Sherry; Frese, Michael

2017-10-01

Strong compression (10:1 in radius) of an FRC by imploding liquid metal liners, stabilized against Rayleigh-Taylor modes, using different scalings for loss based on Bohm vs 100X classical diffusion rates, predict useful compressions with implosion times half the initial energy lifetime. The elongation (length-to-diameter ratio) near peak compression needed to satisfy empirical stability criterion and also retain alpha-particles is about ten. The present paper extends these considerations to issues of the initial FRC, including stability conditions (S*/E) and allowable angular speeds. Furthermore, efficient recovery of the implosion energy and alpha-particle work, in order to reduce the necessary nuclear gain for an economical power reactor, is seen as an important element of the stabilized liner implosion concept for fusion. We describe recent progress in design and construction of the high energy-density prototype of a Stabilized Liner Compressor (SLC) leading to repetitive laboratory experiments to develop the plasma target. Supported by ARPA-E ALPHA Program.

Silicon/copper dome-patterned electrodes for high-performance hybrid supercapacitors.

PubMed

Liu, Xuyan; Jung, Hun-Gi; Kim, Sang-Ok; Choi, Ho-Suk; Lee, Sangwha; Moon, Jun Hyuk; Lee, Joong Kee

2013-12-02

This study proposes a method for manufacturing high-performance electrode materials in which controlling the shape of the current collector and electrode material for a Li-ion capacitor (LIC). In particular, the proposed LIC manufacturing method maintains the high voltage of a cell by using a microdome-patterned electrode material, allowing for reversible reactions between the Li-ion and the active material for an extended period of time. As a result, the LICs exhibit initial capacities of approximately 42 F g⁻¹, even at 60 A g⁻¹. The LICs also exhibit good cycle performance up to approximately 15,000 cycles. In addition, these advancements allow for a considerably higher energy density than other existing capacitor systems. The energy density of the proposed LICs is approximately nine, two, and 1.5 times higher than those of the electrochemical double layer capacitor (EDLC), AC/LiMn₂O₄ hybrid capacitor, and intrinsic Si/AC LIC, respectively.

Silicon/copper dome-patterned electrodes for high-performance hybrid supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Xuyan; Jung, Hun-Gi; Kim, Sang-Ok; Choi, Ho-Suk; Lee, Sangwha; Moon, Jun Hyuk; Lee, Joong Kee

2013-12-01

This study proposes a method for manufacturing high-performance electrode materials in which controlling the shape of the current collector and electrode material for a Li-ion capacitor (LIC). In particular, the proposed LIC manufacturing method maintains the high voltage of a cell by using a microdome-patterned electrode material, allowing for reversible reactions between the Li-ion and the active material for an extended period of time. As a result, the LICs exhibit initial capacities of approximately 42 F g-1, even at 60 A g-1. The LICs also exhibit good cycle performance up to approximately 15,000 cycles. In addition, these advancements allow for a considerably higher energy density than other existing capacitor systems. The energy density of the proposed LICs is approximately nine, two, and 1.5 times higher than those of the electrochemical double layer capacitor (EDLC), AC/LiMn2O4 hybrid capacitor, and intrinsic Si/AC LIC, respectively.

Visualization of transient phenomena during the interaction of pulsed CO2 laser radiation with matter

NASA Astrophysics Data System (ADS)

Schmitt, R.; Hugenschmidt, Manfred

1996-05-01

Carbon-dioxide-lasers operating in the pulsed mode with energy densities up to several tens of J/cm2 and peak power densities in the multi-MW/cm2-range may cause fast heating and melting. Eventually quasi-explosive ejection, decomposition or vaporization of material can be observed. Surface plasmas are strongly influencing the energy transfer from the laser radiation field to any target. For optically transparent plastics, such as PMMA for example, only slowly expanding plasmas (LSC-waves) are ignited at fluences around 20 J/cm2, with a low level of self-luminosity. High brightness, supersonically expanding plasma jets (LSD-waves) are generated at the same fluences on glasses. Similar conditions were found for metals as well. From recordings with a high speed CCD-camera, interesting features concerning the initial plasma phases and temporal evolution were deduced. Additionally, information was obtained concerning the quasi explosive ejection of material for PMMA.

Continuous description of fluctuating eccentricities

NASA Astrophysics Data System (ADS)

Blaizot, Jean-Paul; Broniowski, Wojciech; Ollitrault, Jean-Yves

2014-11-01

We consider the initial energy density in the transverse plane of a high energy nucleus-nucleus collision as a random field ρ (x), whose probability distribution P [ ρ ], the only ingredient of the present description, encodes all possible sources of fluctuations. We argue that it is a local Gaussian, with a short-range 2-point function, and that the fluctuations relevant for the calculation of the eccentricities that drive the anisotropic flow have small relative amplitudes. In fact, this 2-point function, together with the average density, contains all the information needed to calculate the eccentricities and their variances, and we derive general model independent expressions for these quantities. The short wavelength fluctuations are shown to play no role in these calculations, except for a renormalization of the short range part of the 2-point function. As an illustration, we compare to a commonly used model of independent sources, and recover the known results of this model.

Stochastic analysis of pitch angle scattering of charged particles by transverse magnetic waves

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

Lemons, Don S.; Liu Kaijun; Winske, Dan

2009-11-15

This paper describes a theory of the velocity space scattering of charged particles in a static magnetic field composed of a uniform background field and a sum of transverse, circularly polarized, magnetic waves. When that sum has many terms the autocorrelation time required for particle orbits to become effectively randomized is small compared with the time required for the particle velocity distribution to change significantly. In this regime the deterministic equations of motion can be transformed into stochastic differential equations of motion. The resulting stochastic velocity space scattering is described, in part, by a pitch angle diffusion rate that ismore » a function of initial pitch angle and properties of the wave spectrum. Numerical solutions of the deterministic equations of motion agree with the theory at all pitch angles, for wave energy densities up to and above the energy density of the uniform field, and for different wave spectral shapes.« less

Fourier-transform-based model for carrier transport in semiconductor heterostructures: Longitudinal optical phonon scattering

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

Lü, X.; Schrottke, L.; Grahn, H. T.

We present scattering rates for electrons at longitudinal optical phonons within a model completely formulated in the Fourier domain. The total intersubband scattering rates are obtained by averaging over the intrasubband electron distributions. The rates consist of the Fourier components of the electron wave functions and a contribution depending only on the intersubband energies and the intrasubband carrier distributions. The energy-dependent part can be reproduced by a rational function, which allows for the separation of the scattering rates into a dipole-like contribution, an overlap-like contribution, and a contribution which can be neglected for low and intermediate carrier densities of themore » initial subband. For a balance between accuracy and computation time, the number of Fourier components can be adjusted. This approach facilitates an efficient design of complex heterostructures with realistic, temperature- and carrier density-dependent rates.« less

Plug and Process Loads Capacity and Power Requirements Analysis

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

Sheppy, M.; Gentile-Polese, L.

2014-09-01

This report addresses gaps in actionable knowledge that would help reduce the plug load capacities designed into buildings. Prospective building occupants and real estate brokers lack accurate references for plug and process load (PPL) capacity requirements, so they often request 5-10 W/ft2 in their lease agreements. Limited initial data, however, suggest that actual PPL densities in leased buildings are substantially lower. Overestimating PPL capacity leads designers to oversize electrical infrastructure and cooling systems. Better guidance will enable improved sizing and design of these systems, decrease upfront capital costs, and allow systems to operate more energy efficiently. The main focus ofmore » this report is to provide industry with reliable, objective third-party guidance to address the information gap in typical PPL densities for commercial building tenants. This could drive changes in negotiations about PPL energy demands.« less

Progress toward Kelvin-Helmholtz instabilities in a High-Energy-Density Plasma on the Nike laser

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Gillespie, R. S.; Grosskopf, M. J.; Huntington, C. M.; Aglitskiy, Y.; Weaver, J. L.; Velikovich, A. L.; Plewa, T.; Dwarkadas, V. V.

2008-04-01

In the realm of high-energy-density (HED) plasmas, there exist three primary hydrodynamic instabilities of concern: Rayleigh-Taylor (RT), Richtmyer-Meshkov (RM), and Kelvin-Helmholtz (KH). Although the RT and the RM instabilities have been readily observed and diagnosed in the laboratory, the KH instability remains relatively unexplored in HED plasmas. Unlike the RT and RM instabilities, the KH instability is driven by a lifting force generated by a strong velocity gradient in a stratified fluid. Understanding the KH instability mechanism in HED plasmas will provide essential insight into oblique shock systems, jets, mass stripping, and detailed RT-spike development. In addition, our KH experiment will help provide the groundwork for future transition to turbulence experiments. We present 2D FLASH simulations and experimental data from our initial attempts to create a pure KH system using the Nike laser at the Naval Research Laboratory.

Strangeness Suppression and Color Deconfinement

NASA Astrophysics Data System (ADS)

Satz, Helmut

2018-02-01

The relative multiplicities for hadron production in different high energy collisions are in general well described by an ideal gas of all hadronic resonances, except that under certain conditions, strange particle rates are systematically reduced. We show that the suppression factor γs, accounting for reduced strange particle rates in pp, pA and AA collisions at different collision energies, becomes a universal function when expressed in terms of the initial entropy density s0 or the initial temperature T of the produced thermal medium. It is found that γs increases from about 0.5 to 1.0 in a narrow temperature range around the quark-hadron transition temperature Tc ≃ 160 MeV. Strangeness suppression thus disappears with the onset of color deconfinement; subsequently, full equilibrium resonance gas behavior is attained.

Physics objectives of PI3 spherical tokamak program

NASA Astrophysics Data System (ADS)

Howard, Stephen; Laberge, Michel; Reynolds, Meritt; O'Shea, Peter; Ivanov, Russ; Young, William; Carle, Patrick; Froese, Aaron; Epp, Kelly

2017-10-01

Achieving net energy gain with a Magnetized Target Fusion (MTF) system requires the initial plasma state to satisfy a set of performance goals, such as particle inventory (1021 ions), sufficient magnetic flux (0.3 Wb) to confine the plasma without MHD instability, and initial energy confinement time several times longer than the compression time. General Fusion (GF) is now constructing Plasma Injector 3 (PI3) to explore the physics of reactor-scale plasmas. Energy considerations lead us to design around an initial state of Rvessel = 1 m. PI3 will use fast coaxial helicity injection via a Marshall gun to create a spherical tokamak plasma, with no additional heating. MTF requires solenoid-free startup with no vertical field coils, and will rely on flux conservation by a metal wall. PI3 is 5x larger than SPECTOR so is expected to yield magnetic lifetime increase of 25x, while peak temperature of PI3 is expected to be similar (400-500 eV) Physics investigations will study MHD activity and the resistive and convective evolution of current, temperature and density profiles. We seek to understand the confinement physics, radiative loss, thermal and particle transport, recycling and edge physics of PI3.

Effect of Various Material Properties on the Adhesive Stage of Fretting

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1974-01-01

Various properties of metals and alloys were studied with respect to their effect on the initial stage of the fretting process, namely adhesion. Crystallographic orientation, crystal structure, interfacial binding energies of dissimiliar metal, segregation of alloy constituents and the nature and structure of surface films were found to influence adhesion. High atomic density, low surface energy grain orientations exhibited lower adhesion than other orientations. Knowledge of interfacial surface binding energies assists in predicting adhesive transfer and wear. Selective surface segregation of alloy constituents accomplishes both a reduction in adhesion and improved surface oxidation characteristics. Equivalent surface coverages of various adsorbed species indicate that some are markedly more effective in inhibiting adhesion than others.

Blackbody emission from laser breakdown in high-pressure gases.

PubMed

Bataller, A; Plateau, G R; Kappus, B; Putterman, S

2014-08-15

Laser induced breakdown of pressurized gases is used to generate plasmas under conditions where the atomic density and temperature are similar to those found in sonoluminescing bubbles. Calibrated streak spectroscopy reveals that a blackbody persists well after the exciting femtosecond laser pulse has turned off. Deviation from Saha's equation of state and an accompanying large reduction in ionization potential are observed at unexpectedly low atomic densities-in parallel with sonoluminescence. In laser breakdown, energy input proceeds via excitation of electrons whereas in sonoluminescence it is initiated via the atoms. The similar responses indicate that these systems are revealing the thermodynamics and transport of a strongly coupled plasma.

CME Plasma Dynamics Using In-situ and Remote-sensing Observations

NASA Astrophysics Data System (ADS)

Kocher, Manan; Lepri, Susan; Landi, Enrico

2017-04-01

The thermal and kinetic energy of Coronal Mass Ejections [CMEs] can be best reconstructed if the plasma density, temperature and dynamics of each of their components are known. During periods of quadrature, we use a combination of in-situ measurements from ACE/SWICS and remote sensing observations from SDO/AIA and STEREO/EUVI to present several case studies of geo-effective halo-CMEs. We carry out density diagnostics and Differential Emission Measure [DEM] profile calculations to reconstruct a 3D picture of the CME plasma for the selected cases in the low solar corona. We then discuss these results in the context of models of CME initiation and release.

A contoured gap coaxial plasma gun with injected plasma armature.

PubMed

Witherspoon, F Douglas; Case, Andrew; Messer, Sarah J; Bomgardner, Richard; Phillips, Michael W; Brockington, Samuel; Elton, Raymond

2009-08-01

A new coaxial plasma gun is described. The long term objective is to accelerate 100-200 microg of plasma with density above 10(17) cm(-3) to greater than 200 km/s with a Mach number above 10. Such high velocity dense plasma jets have a number of potential fusion applications, including plasma refueling, magnetized target fusion, injection of angular momentum into centrifugally confined mirrors, high energy density plasmas, and others. The approach uses symmetric injection of high density plasma into a coaxial electromagnetic accelerator having an annular gap geometry tailored to prevent formation of the blow-by instability. The injected plasma is generated by numerous (currently 32) radially oriented capillary discharges arranged uniformly around the circumference of the angled annular injection region of the accelerator. Magnetohydrodynamic modeling identified electrode profiles that can achieve the desired plasma jet parameters. The experimental hardware is described along with initial experimental results in which approximately 200 microg has been accelerated to 100 km/s in a half-scale prototype gun. Initial observations of 64 merging injector jets in a planar cylindrical testing array are presented. Density and velocity are presently limited by available peak current and injection sources. Steps to increase both the drive current and the injected plasma mass are described for next generation experiments.

Critical energy flux and mass in solvable theories of 2D dilaton gravity

NASA Astrophysics Data System (ADS)

Fabbri, A.; Navarro-Salas, J.

1998-10-01

In this paper we address the issue of determining the semiclassical threshold for black hole formation in the context of a one-parameter family of theories which continuously interpolates between the RST and BPP models. We find that the results depend significantly on the initial static configuration of the spacetime geometry before the influx of matter is turned on. In some cases there is a critical energy density, given by the Hawking rate of evaporation, as well as a critical mass mcr (eventually vanishing). In others there is neither mcr nor a critical flux.

Interaction of repetitively pulsed high energy laser radiation with matter

NASA Astrophysics Data System (ADS)

Hugenschmidt, M.

1986-05-01

Laser target interaction processes and methods of improving the overall energy balance are discussed. This can be achieved with high repetition rate pulsed lasers even for initially highly reflecting materials, such as metals. Experiments were performed using a pulsed CO2 laser at mean powers up to 2 KW and repetition rates up to 100 Hz. The rates of temperature rise of aluminum for example are increased by more than a factor of 3 as compared to cw-radiation of comparable power density. Similar improvements are found for the overall absorptivities, that are increased by more than an order of magnitude.

Correlating Metastable-Atom Density, Reduced Electric Field, and Electron Energy Distribution in the Initiation, Transient, and Post-Transient Stages of a Pulsed Argon Discharge

NASA Astrophysics Data System (ADS)

Franek, James B.

Argon emission lines, particularly those in the near-infrared region (700-900nm), are used to determine plasma properties in low-temperature, partially ionized plasmas to determine effective electron temperature [Boffard et al., 2012], and argon excited state density [Boffard et al., 2009] using appropriately assumed electron energy distributions. While the effect of radiation trapping influences the interpretation of plasma properties from emission-line ratio analysis, eliminating the need to account for these effects by directly observing the 3px-to-1sy transitions [ Boffard et al., 2012] is preferable in most cases as this simplifies the analysis. In this dissertation, a 1-Torr argon, pulsed positive column in a hollow-cathode discharge is used to study the correlation between four quantities: 420.1-419.8nm emission-line ratio, metastable-atom density, reduced electric field, and electron energy distribution. The extended coronal model is used to acquire an expression for 420.1-419.8nm emission-line ratio, which is sensitive to direct electron-impact excitation of argon excited states as well as stepwise electron-impact excitation of argon excited states for the purpose of inferring plasma quantities from experimental measurements. Initial inspection of the 420.1-419.8nm emission-line ratio suggests the pulse may be empirically divided into three distinct stages labelled the Initiation Stage, Transient Stage, and Post-Transient stage. Using equilibrium electron energy distributions from simulation to deduce excitation rates [Adams et al., 2012] in the extended coronal model affords agreement between predicted and observed metastable density in the Post-Transient stage of the discharge [Franek et al., 2015]. Applying this model-assisted diagnostic technique to the characterization of plasma systems utilizing lower-resolution spectroscopic systems is not straightforward, however, as the 419.8nm and 420.1nm emission-line profiles are convolved and become insufficiently resolved for treating the convolution as two separate emission-lines. To remedy this, the argon 425.9nm emission-line is evaluated as a proxy for the 419.8 nm emission-line. Both emission-lines (419.8nm and 425.9nm) are attributed to direct excitation from the argon ground state. The intensity of the 425.9nm emission-line is compared to the intensity of the 419.8nm emission-line over a range of plasma conditions to infer the same plasma quantities from similar experimental measurements. Discrepancies between the observed intensities of the emission-lines (419.8nm, 425.9nm) are explained by electron-impact cross-sections of their parent states. It is shown that the intensity of the argon 425.9nm emission-line is similar to that of the 419.8nm emission-line. The difference between the observed emission lines (425.9nm, 419.8nm) is attributed to the electron energy distribution in the plasma.

Urban Futures - Innovation Engines or Slums? A Stellar Evolution Model of Urban Growth

NASA Astrophysics Data System (ADS)

Shutters, S. T.; Timmes, F.; Desouza, K.

2015-12-01

Why, as cities grow in size and density, do some "ignite" into global engines of innovation and prosperity while others grow into dense slums? This is our overarching question as we explore a novel framework for thinking about the evolution of cities and, more specifically, the divergent trajectories they may take. We develop a speculative framework by examining the analogies between the evolution of cities and the evolution of stars. Like cities, stellar gas clouds can grow in mass, eventually reaching temperature and density thresholds at which they ignite the hydrogen fuel in their cores to become full-fledged stars. But not all gas and dust clouds share this fate. Some never achieve the critical conditions and do not unleash the energy we witness emanating from our own star. Some stars, after exhaustion of their initial fuel, evolve to incredible density but lack the temperature to ignite the next fuel needed to maintain the critical interactions that release so much energy. Instead they fade away to an object of intense density, but without the vibrant emission of light and energy associated with non-degenerate stars. The fate of cities, too, depends on the density of interactions - not of gas molecules, but of people. This elevated rate of face-to-face interactions in an urban core is critical for the transition to an innovative and creative economy. Yet, density is not enough, as evidenced both by many megacities in the developing world and degenerate stars. What is this missing element that, along with density, ignites a city and turns it into an innovation engine? With these analogies in mind, we explore whether they are useful for framing future research on cities, what questions they may help pose, and, more broadly, how physical, social, and natural scientists can all contribute to an interdisciplinary endeavor to understand cities more deeply.

Advanced Nanostructured Anode Materials for Sodium-Ion Batteries.

PubMed

Wang, Qidi; Zhao, Chenglong; Lu, Yaxiang; Li, Yunming; Zheng, Yuheng; Qi, Yuruo; Rong, Xiaohui; Jiang, Liwei; Qi, Xinguo; Shao, Yuanjun; Pan, Du; Li, Baohua; Hu, Yong-Sheng; Chen, Liquan

2017-11-01

Sodium-ion batteries (NIBs), due to the advantages of low cost and relatively high safety, have attracted widespread attention all over the world, making them a promising candidate for large-scale energy storage systems. However, the inherent lower energy density to lithium-ion batteries is the issue that should be further investigated and optimized. Toward the grid-level energy storage applications, designing and discovering appropriate anode materials for NIBs are of great concern. Although many efforts on the improvements and innovations are achieved, several challenges still limit the current requirements of the large-scale application, including low energy/power densities, moderate cycle performance, and the low initial Coulombic efficiency. Advanced nanostructured strategies for anode materials can significantly improve ion or electron transport kinetic performance enhancing the electrochemical properties of battery systems. Herein, this Review intends to provide a comprehensive summary on the progress of nanostructured anode materials for NIBs, where representative examples and corresponding storage mechanisms are discussed. Meanwhile, the potential directions to obtain high-performance anode materials of NIBs are also proposed, which provide references for the further development of advanced anode materials for NIBs. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interactive mixture of inhomogeneous dark fluids driven by dark energy: a dynamical system analysis

NASA Astrophysics Data System (ADS)

Izquierdo, Germán; Blanquet-Jaramillo, Roberto C.; Sussman, Roberto A.

2018-03-01

We examine the evolution of an inhomogeneous mixture of non-relativistic pressureless cold dark matter (CDM), coupled to dark energy (DE) characterised by the equation of state parameter w<-1/3, with the interaction term proportional to the DE density. This coupled mixture is the source of a spherically symmetric Lemaître-Tolman-Bondi (LTB) metric admitting an asymptotic Friedman-Lemaître-Robertson-Walker (FLRW) background. Einstein's equations reduce to a 5-dimensional autonomous dynamical system involving quasi-local variables related to suitable averages of covariant scalars and their fluctuations. The phase space evolution around the critical points (past/future attractors and five saddles) is examined in detail. For all parameter values and both directions of energy flow (CDM to DE and DE to CDM) the phase space trajectories are compatible with a physically plausible early cosmic times behaviour near the past attractor. This result compares favourably with mixtures with interaction driven by the CDM density, whose past evolution is unphysical for DE to CDM energy flow. Numerical examples are provided describing the evolution of an initial profile that can be associated with idealised structure formation scenarios.

NDCX-II target experiments and simulations

DOE PAGES

Barnard, J. J.; More, R. M.; Terry, M.; ...

2013-06-13

The ion accelerator NDCX-II is undergoing commissioning at Lawrence Berkeley National Laboratory (LBNL). Its principal mission is to explore ion-driven High Energy Density Physics (HEDP) relevant to Inertial Fusion Energy (IFE) especially in the Warm Dense Matter (WDM) regime. We have carried out hydrodynamic simulations of beam-heated targets for parameters expected for the initial configuration of NDCX-II. For metal foils of order one micron thick (thin targets), the beam is predicted to heat the target in a timescale comparable to the hydrodynamic expansion time for experiments that infer material properties from measurements of the resulting rarefaction wave. We have alsomore » carried out hydrodynamic simulations of beam heating of metallic foam targets several tens of microns thick (thick targets) in which the ion range is shorter than the areal density of the material. In this case shock waves will form and we derive simple scaling laws for the efficiency of conversion of ion energy into kinetic energy of fluid flow. Geometries with a tamping layer may also be used to study the merging of a tamper shock with the end-of-range shock. As a result, this process can occur in tamped, direct drive IFE targets.« less

Bimodal collagen fibril diameter distributions direct age-related variations in tendon resilience and resistance to rupture

PubMed Central

Holmes, D. F.; Lu, Y.; Purslow, P. P.; Kadler, K. E.; Bechet, D.; Wess, T. J.

2012-01-01

Scaling relationships have been formulated to investigate the influence of collagen fibril diameter (D) on age-related variations in the strain energy density of tendon. Transmission electron microscopy was used to quantify D in tail tendon from 1.7- to 35.3-mo-old (C57BL/6) male mice. Frequency histograms of D for all age groups were modeled as two normally distributed subpopulations with smaller (DD1) and larger (DD2) mean Ds, respectively. Both DD1 and DD2 increase from 1.6 to 4.0 mo but decrease thereafter. From tensile tests to rupture, two strain energy densities were calculated: 1) uE [from initial loading until the yield stress (σY)], which contributes primarily to tendon resilience, and 2) uF [from σY through the maximum stress (σU) until rupture], which relates primarily to resistance of the tendons to rupture. As measured by the normalized strain energy densities uE/σY and uF/σU, both the resilience and resistance to rupture increase with increasing age and peak at 23.0 and 4.0 mo, respectively, before decreasing thereafter. Multiple regression analysis reveals that increases in uE/σY (resilience energy) are associated with decreases in DD1 and increases in DD2, whereas uF/σU (rupture energy) is associated with increases in DD1 alone. These findings support a model where age-related variations in tendon resilience and resistance to rupture can be directed by subtle changes in the bimodal distribution of Ds. PMID:22837169

ESTABLISHING SUSTAINABLE US HEV/PHEV MANUFACTURING BASE: STABILIZED LITHIUM METAL POWDER, ENABLING MATERIAL AND REVOLUTIONARY TECHNOLOGY FOR HIGH ENERGY LI-ION BATTERIES

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

Yakovleva, Marina

2012-12-31

FMC Lithium Division has successfully completed the project “Establishing Sustainable US PHEV/EV Manufacturing Base: Stabilized Lithium Metal Powder, Enabling Material and Revolutionary Technology for High Energy Li-ion Batteries”. The project included design, acquisition and process development for the production scale units to 1) produce stabilized lithium dispersions in oil medium, 2) to produce dry stabilized lithium metal powders, 3) to evaluate, design and acquire pilot-scale unit for alternative production technology to further decrease the cost, and 4) to demonstrate concepts for integrating SLMP technology into the Li- ion batteries to increase energy density. It is very difficult to satisfy safety,more » cost and performance requirements for the PHEV and EV applications. As the initial step in SLMP Technology introduction, industry can use commercially available LiMn2O4 or LiFePO4, for example, that are the only proven safer and cheaper lithium providing cathodes available on the market. Unfortunately, these cathodes alone are inferior to the energy density of the conventional LiCoO2 cathode and, even when paired with the advanced anode materials, such as silicon composite material, the resulting cell will still not meet the energy density requirements. We have demonstrated, however, if SLMP Technology is used to compensate for the irreversible capacity in the anode, the efficiency of the cathode utilization will be improved and the cost of the cell, based on the materials, will decrease.« less

Silicon-Based Lithium-Ion Capacitor for High Energy and High Power Application

NASA Technical Reports Server (NTRS)

Wu, James J.; Demattia, Brianne; Loyselle, Patricia; Reid, Concha; Kohout, Lisa

2017-01-01

Si-based Li-ion capacitor has been developed and demonstrated. The results show it is feasible to improve both power density and energy density in this configuration. The applied current density impacts the power and energy density: low current favors energy density while high current favors power density. Active carbon has a better rate capability than Si. Next StepsFuture Directions. Si electrode needs to be further studied and improved. Further optimization of SiAC ratio and evaluation of its impact on energy density and power density.

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

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

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

DOE PAGES

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.; ...

2014-09-27

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Free energy analysis of cell spreading.

PubMed

McEvoy, Eóin; Deshpande, Vikram S; McGarry, Patrick

2017-10-01

In this study we present a steady-state adaptation of the thermodynamically motivated stress fiber (SF) model of Vigliotti et al. (2015). We implement this steady-state formulation in a non-local finite element setting where we also consider global conservation of the total number of cytoskeletal proteins within the cell, global conservation of the number of binding integrins on the cell membrane, and adhesion limiting ligand density on the substrate surface. We present a number of simulations of cell spreading in which we consider a limited subset of the possible deformed spread-states assumed by the cell in order to examine the hypothesis that free energy minimization drives the process of cell spreading. Simulations suggest that cell spreading can be viewed as a competition between (i) decreasing cytoskeletal free energy due to strain induced assembly of cytoskeletal proteins into contractile SFs, and (ii) increasing elastic free energy due to stretching of the mechanically passive components of the cell. The computed minimum free energy spread area is shown to be lower for a cell on a compliant substrate than on a rigid substrate. Furthermore, a low substrate ligand density is found to limit cell spreading. The predicted dependence of cell spread area on substrate stiffness and ligand density is in agreement with the experiments of Engler et al. (2003). We also simulate the experiments of Théry et al. (2006), whereby initially circular cells deform and adhere to "V-shaped" and "Y-shaped" ligand patches. Analysis of a number of different spread states reveals that deformed configurations with the lowest free energy exhibit a SF distribution that corresponds to experimental observations, i.e. a high concentration of highly aligned SFs occurs along free edges, with lower SF concentrations in the interior of the cell. In summary, the results of this study suggest that cell spreading is driven by free energy minimization based on a competition between decreasing cytoskeletal free energy and increasing passive elastic free energy. Copyright © 2017 Elsevier Ltd. All rights reserved.

Variations of High-Energy Ions during Fast Plasma Flows and Dipolarization in the Plasma Sheet: Comparison Among Different Ion Species

NASA Astrophysics Data System (ADS)

Ohtani, S.; Nose, M.; Miyashita, Y.; Lui, A.

2014-12-01

We investigate the responses of different ion species (H+, He+, He++, and O+) to fast plasma flows and local dipolarization in the plasma sheet in terms of energy density. We use energetic (9-210 keV) ion composition measurements made by the Geotail satellite at r = 10~31 RE. The results are summarized as follows: (1) whereas the O+-to-H+ ratio decreases with earthward flow velocity, it increases with tailward flow velocity with Vx dependence steeper for perpendicular flows than for parallel flows; (2) for fast earthward flows, the energy density of each ion species increases without any clear preference for heavy ions; (3) for fast tailward flows the ion energy density increases initially, then it decreases to below pre-flow levels except for O+; (4) the O+-to-H+ ratio does not increase through local dipolarization irrespective of dipolarization amplitude, background BZ, X distance, and VX; (5) in general, the H+ and He++ ions behave similarly. Result (1) can be attributed to radial transport along with the earthward increase of the background O+-to-H+ ratio. Results (2) and (4) indicate that ion energization associated with local dipolarization is not mass-dependent possibly because in the energy range of our interest the ions are not magnetized irrespective of species. In the tailward outflow region of reconnection, where the plasma sheet becomes thinner, the H+ ions escape along the field line more easily than the O+ ions, which possibly explains result (3). Result (5) suggests that the solar wind is the primary source of the high-energy H+ ions.

Efficiency Enhancement of a Cantilever-Based Vibration Energy Harvester

PubMed Central

Kubba, Ali E.; Jiang, Kyle

2014-01-01

Extracting energy from ambient vibration to power wireless sensor nodes has been an attractive area of research, particularly in the automotive monitoring field. This article reports the design, analysis and testing of a vibration energy harvesting device based on a miniature asymmetric air-spaced cantilever. The developed design offers high power density, and delivers electric power that is sufficient to support most wireless sensor nodes for structural health monitoring (SHM) applications. The optimized design underwent three evolutionary steps, starting from a simple cantilever design, going through an air-spaced cantilever, and ending up with an optimized air-spaced geometry with boosted power density level. Finite Element Analysis (FEA) was used as an initial tool to compare the three geometries' stiffness (K), output open-circuit voltage (Vave), and average normal strain in the piezoelectric transducer (εave) that directly affect its output voltage. Experimental tests were also carried out in order to examine the energy harvesting level in each of the three designs. The experimental results show how to boost the power output level in a thin air-spaced cantilever beam for energy within the same space envelope. The developed thin air-spaced cantilever (8.37 cm3), has a maximum power output of 2.05 mW (H = 29.29 μJ/cycle). PMID:24366177

Efficiency enhancement of a cantilever-based vibration energy harvester.

PubMed

Kubba, Ali E; Jiang, Kyle

2013-12-23

Extracting energy from ambient vibration to power wireless sensor nodes has been an attractive area of research, particularly in the automotive monitoring field. This article reports the design, analysis and testing of a vibration energy harvesting device based on a miniature asymmetric air-spaced cantilever. The developed design offers high power density, and delivers electric power that is sufficient to support most wireless sensor nodes for structural health monitoring (SHM) applications. The optimized design underwent three evolutionary steps, starting from a simple cantilever design, going through an air-spaced cantilever, and ending up with an optimized air-spaced geometry with boosted power density level. Finite Element Analysis (FEA) was used as an initial tool to compare the three geometries' stiffness (K), output open-circuit voltage (V(ave)), and average normal strain in the piezoelectric transducer (ε(ave)) that directly affect its output voltage. Experimental tests were also carried out in order to examine the energy harvesting level in each of the three designs. The experimental results show how to boost the power output level in a thin air-spaced cantilever beam for energy within the same space envelope. The developed thin air-spaced cantilever (8.37 cm3), has a maximum power output of 2.05 mW (H = 29.29 μJ/cycle).

Observation and modeling of mixing-layer development in HED blast-wave-driven shear flow

NASA Astrophysics Data System (ADS)

di Stefano, Carlos

2013-10-01

This talk describes work exploring the sensitivity to initial conditions of hydrodynamic mixing-layer growth due to shear flow in the high-energy-density regime. This work features an approach in two parts, experimental and theoretical. First, an experiment, conducted at the OMEGA-60 laser facility, seeks to measure the development of such a mixing layer. This is accomplished by placing a layer of low-density (initially of either 0.05 or 0.1 g/cm3, to vary the system's Atwood number) carbon foam against a layer of higher-density (initially 1.4 g/cm3) polyamide-imide that has been machined to a nominally-flat surface at its interface with the foam. Inherent roughness of this surface's finish is precisely measured and varied from piece to piece. Ten simultaneous OMEGA beams, comprising a 4.5 kJ, 1-ns pulse focused to a roughly 1-mm-diameter spot, irradiate a thin polycarbonate ablator, driving a blast wave into the foam, parallel to its interface with the polyamide-imide. The ablator is framed by a gold washer, such that the blast wave is driven only into the foam, and not into the polyamide-imide. The subsequent forward motion of the shocked foam creates the desired shear effect, and the system is imaged by X-ray radiography 35 ns after the beginning of the driving laser pulse. Second, a simulation is performed, intending to replicate the flow observed in the experiment as closely as possible. Using the resulting simulated flow parameters, an analytical model can be used to predict the evolution of the mixing layer, as well as track the motion of the fluid in the experiment prior to the snapshot seen in the radiograph. The ability of the model to predict growth of the mixing layer under the various conditions observed in the experiment is then examined. This work is funded by the Predictive Sciences Academic Alliances Program in NNSA-ASC via grant DEFC52- 08NA28616, by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840, and by the National Laser Use.

Kinetic energy partition method applied to ground state helium-like atoms.

PubMed

Chen, Yu-Hsin; Chao, Sheng D

2017-03-28

We have used the recently developed kinetic energy partition (KEP) method to solve the quantum eigenvalue problems for helium-like atoms and obtain precise ground state energies and wave-functions. The key to treating properly the electron-electron (repulsive) Coulomb potential energies for the KEP method to be applied is to introduce a "negative mass" term into the partitioned kinetic energy. A Hartree-like product wave-function from the subsystem wave-functions is used to form the initial trial function, and the variational search for the optimized adiabatic parameters leads to a precise ground state energy. This new approach sheds new light on the all-important problem of solving many-electron Schrödinger equations and hopefully opens a new way to predictive quantum chemistry. The results presented here give very promising evidence that an effective one-electron model can be used to represent a many-electron system, in the spirit of density functional theory.

Effects of Grain Size and Twin Layer Thickness on Crack Initiation at Twin Boundaries.

PubMed

Zhou, Piao; Zhou, Jianqiu; Zhu, Yongwei; Jiang, E; Wang, Zikun

2018-04-01

A theoretical model to explore the effect on crack initiation of nanotwinned materials was proposed based on the accumulation of dislocations at twin boundaries. First, a critical cracking initiation condition was established considering the number of dislocations pill-up at TBs, grain size and twin layer thickness, and a semi-quantitative relationship between the crystallographic orientation and the stacking fault energy was built. In addition, the number of dislocations pill-up was described by introducing the theory of strain gradient. Based on this model, the effects of grain size and twin lamellae thickness on dislocation density and crack initiation at twin boundaries were also discussed. The simulation results demonstrated that the crack initiation resistance can be improved by decreasing the grain size and increasing the twin lamellae, which keeps in agreement with recent experimental findings reported in the literature.

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

Shlapakovski, A. S.; Beilin, L.; Krasik, Ya. E.

Nanosecond-scale evolution of plasma and RF electromagnetic fields during the release of energy from a microwave pulse compressor with a plasma interference switch was investigated numerically using the code MAGIC. The plasma was simulated in the scope of the gas conductivity model in MAGIC. The compressor embodied an S-band cavity and H-plane waveguide tee with a shorted side arm filled with pressurized gas. In a simplified approach, the gas discharge was initiated by setting an external ionization rate in a layer crossing the side arm waveguide in the location of the electric field antinode. It was found that with increasingmore » ionization rate, the microwave energy absorbed by the plasma in the first few nanoseconds increases, but the absorption for the whole duration of energy release, on the contrary, decreases. In a hybrid approach modeling laser ignition of the discharge, seed electrons were set around the electric field antinode. In this case, the plasma extends along the field forming a filament and the plasma density increases up to the level at which the electric field within the plasma decreases due to the skin effect. Then, the avalanche rate decreases but the density still rises until the microwave energy release begins and the electric field becomes insufficient to support the avalanche process. The extraction of the microwave pulse limits its own power by terminating the rise of the plasma density and filament length. For efficient extraction, a sufficiently long filament of dense plasma must have sufficient time to be formed.« less

Properties of model atomic free-standing thin films.

PubMed

Shi, Zane; Debenedetti, Pablo G; Stillinger, Frank H

2011-03-21

We present a computational study of the thermodynamic, dynamic, and structural properties of free-standing thin films, investigated via molecular dynamics simulation of a glass-forming binary Lennard-Jones mixture. An energy landscape analysis is also performed to study glassy states. At equilibrium, species segregation occurs, with the smaller minority component preferentially excluded from the surface. The film's interior density and interface width depend solely on temperature and not the initialization density. The atoms at the surface of the film have a higher lateral diffusivity when compared to the interior. The average difference between the equilibrium and inherent structure energies assigned to individual particles, as a function of the distance from the center of the film, increases near the surface. A minimum of this difference occurs in the region just under the liquid-vapor interface. This suggests that the surface atoms are able to sample the underlying energy landscape more effectively than those in the interior, and we suggest a possible relationship of this observation to the recently reported formation of stable glasses by vapor phase deposition.

Te/C nanocomposites for Li-Te Secondary Batteries

NASA Astrophysics Data System (ADS)

Seo, Jeong-Uk; Seong, Gun-Kyu; Park, Cheol-Min

2015-01-01

New battery systems having high energy density are actively being researched in order to satisfy the rapidly developing market for longer-lasting mobile electronics and hybrid electric vehicles. Here, we report a new Li-Te secondary battery system with a redox potential of ~1.7 V (vs. Li+/Li) adapted on a Li metal anode and an advanced Te/C nanocomposite cathode. Using a simple concept of transforming TeO2 into nanocrystalline Te by mechanical reduction, we designed an advanced, mechanically reduced Te/C nanocomposite electrode material with high energy density (initial discharge/charge: 1088/740 mA h cm-3), excellent cyclability (ca. 705 mA h cm-3 over 100 cycles), and fast rate capability (ca. 550 mA h cm-3 at 5C rate). The mechanically reduced Te/C nanocomposite electrodes were found to be suitable for use as either the cathode in Li-Te secondary batteries or a high-potential anode in rechargeable Li-ion batteries. We firmly believe that the mechanically reduced Te/C nanocomposite constitutes a breakthrough for the realization and mass production of excellent energy storage systems.

Synthesis and electrochemical properties of layered structure Li[Ni{sub 0.5}Co{sub 0.25}Mn{sub 0.25}]O{sub 2} cathode material

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

Prathibha, G.; Rosaiah, P.; Reddy, B. Purusottam

Lithium ion (Li-ion) batteries are currently the energy source of choice for cell phones, laptops, and other mobile electronic devices due to their balance of high energy density with high power density compared to other electrochemical energy carriers. In the present study, mixed hydroxide method is used to prepare Li[Ni{sub 0.5}Co{sub 0.25}Mn{sub 0.25}]O{sub 2} from the precursors and analyze qualitatively and studied the electrochemical properties. The XRD spectrum exhibited predominant (003) orientation at 2θ =18.39{sup o} corresponding to hexagonal layered structure of R3m symmetry with evaluated lattice parameters are a= 2.84 Å, c= 14.43 Å. Raman measurements were performed tomore » understand the microstructure and vibrational modes of the prepared sample. From the electrochemical (EC) studies an initial discharge capacity of about 140 mAhg{sup −1} with good cyclic stability was observed for the prepared sample in the potential range 0.0 −1.0V in aqueous medium.« less

Are energy-dense foods really cheaper? Reexamining the relation between food price and energy density.

PubMed

Lipsky, Leah M

2009-11-01

The inverse relation between energy density (kcal/g) and energy cost (price/kcal) has been interpreted to suggest that produce (fruit, vegetables) is more expensive than snacks (cookies, chips). The objective of this study was to show the methodologic weakness of comparing energy density with energy cost. The relation between energy density and energy cost was replicated in a random-number data set. Additionally, observational data were collected for produce and snacks from an online supermarket. Variables included total energy (kcal), total weight (g), total number of servings, serving size (g/serving), and energy density (kcal/g). Price measures included energy cost ($/kcal), total price ($), unit price ($/g), and serving price ($/serving). Two-tailed t tests were used to compare price measures by food category. Relations between energy density and price measures within food categories were examined with the use of Spearman rank correlation analysis. The relation between energy density and energy cost was shown to be driven by the algebraic properties of these variables. Food category was strongly correlated with both energy density and food price measures. Energy cost was higher for produce than for snacks. However, total price and unit price were lower for produce. Serving price and serving size were greater for produce than for snacks. Within food categories, energy density was uncorrelated with most measures of food price, except for a weak positive correlation with serving price within the produce category. The findings suggest the relation between energy density and food price is confounded by food category and depends on which measure of price is used.

Simple coupling with cosmological implications. The initial singularity and the inflationary universe

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

Saez, D.

1987-03-15

In this work the metric is coupled with a scalar field phi in a simple way. Although this coupling becomes problematic because the energy density of phi appears to be unbounded from below, it is displayed as a very simple coupling leading to a nonsingular cosmological model with an early antigravity regime. A basic study of the inflationary period and various suggestions are presented.

Hawaii Energy and Environmental Technologies (HEET) Initiative

DTIC Science & Technology

2009-05-01

current density measured in a PEM fuel cell ( PEMFC ) represents the average of the local reaction rates. Depending on cell design and operating...loss mechanisms determine the spatial and overall performance of a PEMFC : activation, concentration, ohmic, and mass transfer losses. Activation losses...distribution of these various losses in a PEMFC using a six-channel serpentine flow-field. Voltage losses were attributed to each of the mechanisms at each

Focusing of noncircular self-similar shock waves.

PubMed

Betelu, S I; Aronson, D G

2001-08-13

We study the focusing of noncircular shock waves in a perfect gas. We construct an explicit self-similar solution by combining three convergent plane waves with regular shock reflections between them. We then show, with a numerical Riemann solver, that there are initial conditions with smooth shocks whose intermediate asymptotic stage is described by the exact solution. Unlike the focusing of circular shocks, our self-similar shocks have bounded energy density.

Simulation study of 3–5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

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

Kemp, G. E., E-mail: kemp10@llnl.gov; Colvin, J. D.; Fournier, K. B.

2015-05-15

Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3–5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (∼n{sub c}/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using HYDRA, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facilitymore » (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from CRETIN, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3–5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ∼100–150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (∼20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3–5 keV x-ray source on NIF.« less

Thermodynamic stability in elastic systems: Hard spheres embedded in a finite spherical elastic solid.

PubMed

Solano-Altamirano, J M; Goldman, Saul

2015-12-01

We determined the total system elastic Helmholtz free energy, under the constraints of constant temperature and volume, for systems comprised of one or more perfectly bonded hard spherical inclusions (i.e. "hard spheres") embedded in a finite spherical elastic solid. Dirichlet boundary conditions were applied both at the surface(s) of the hard spheres, and at the outer surface of the elastic solid. The boundary conditions at the surface of the spheres were used to describe the rigid displacements of the spheres, relative to their initial location(s) in the unstressed initial state. These displacements, together with the initial positions, provided the final shape of the strained elastic solid. The boundary conditions at the outer surface of the elastic medium were used to ensure constancy of the system volume. We determined the strain and stress tensors numerically, using a method that combines the Neuber-Papkovich spherical harmonic decomposition, the Schwartz alternating method, and Least-squares for determining the spherical harmonic expansion coefficients. The total system elastic Helmholtz free energy was determined by numerically integrating the elastic Helmholtz free energy density over the volume of the elastic solid, either by a quadrature, or a Monte Carlo method, or both. Depending on the initial position of the hard sphere(s) (or equivalently, the shape of the un-deformed stress-free elastic solid), and the displacements, either stationary or non-stationary Helmholtz free energy minima were found. The non-stationary minima, which involved the hard spheres nearly in contact with one another, corresponded to lower Helmholtz free energies, than did the stationary minima, for which the hard spheres were further away from one another.

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

Reducing the energy density of an entrée decreases children's energy intake at lunch.

PubMed

Leahy, Kathleen E; Birch, Leann L; Rolls, Barbara J

2008-01-01

Strategies need to be developed to reduce preschool children's energy intake. To test the effect of reducing the energy density of an entrée on children's ad libitum energy intake. Subjects were 2- to 5-year-old children (37 boys and 40 girls) in a university day-care facility. In this within-subjects crossover study, children were served a test lunch once per week for 6 weeks. Two versions of a macaroni and cheese entrée were formulated to differ in energy density while maintaining similar palatability. Each version was served to children three times. The higher-energy-density entrée had 2.0 kcal/g and the other entrée was 30% lower in energy density. Lunch, consumed ad libitum, also included broccoli, applesauce, and milk. Food intake and energy intake were measured. A mixed linear model tested effect of energy density of the entrée on food intake and energy intake. Results are reported as mean+/-standard error. Decreasing the energy density of the entrée by 30% significantly (P<0.0001) reduced children's energy intake from the entrée by 25% (72.3+/-8.3 kcal) and total lunch energy intake by 18% (71.8+/-7.9 kcal). Children consumed significantly more of the lower-energy-density entrée (10.1+/-4.2 g; P<0.05). Children's sex-specific body mass index-for-age percentiles did not affect the relationship between energy density of the entrée and children's intakes. Decreasing the energy density of a lunch entrée resulted in a reduction in children's energy intake from the entrée and from the total meal. Reducing the energy density of foods may be an effective strategy to moderate children's energy intake.

Importance of polypyrrole in constructing 3D hierarchical carbon nanotube@MnO2 perfect core-shell nanostructures for high-performance flexible supercapacitors

NASA Astrophysics Data System (ADS)

Zhou, Jinyuan; Zhao, Hao; Mu, Xuemei; Chen, Jiayi; Zhang, Peng; Wang, Yaling; He, Yongmin; Zhang, Zhenxing; Pan, Xiaojun; Xie, Erqing

2015-08-01

This study reports the preparation of 3D hierarchical carbon nanotube (CNT) @MnO2 core-shell nanostructures under the assistance of polypyrrole (PPy). The as-prepared CNT@PPy@MnO2 core-shell structures show a perfect coating of MnO2 on each CNT and, more importantly, a robust bush-like pseudocapacitive shell to effectively increase the specific surface area and enhance the ion accessibility. As expected, a high specific capacity of 490-530 F g-1 has been achieved from CNT@PPy@MnO2 single electrodes. And about 98.5% of the capacity is retained after 1000 charge/discharge cycles at a current density of 5 A g-1. Furthermore, the assembled asymmetric CNT@PPy@MnO2//AC capacitors show the maximum energy density of 38.42 W h kg-1 (2.24 mW h cm-3) at a power density of 100 W kg-1 (5.83 mW cm-3), and they maintain 59.52% of the initial value at 10 000 W kg-1 (0.583 W cm-3). In addition, the assembled devices show high cycling stabilities (89.7% after 2000 cycles for asymmetric and 87.2% for symmetric), and a high bending stability (64.74% after 200 bending tests). This ability to obtain high energy densities at high power rates while maintaining high cycling stability demonstrates that this well-designed structure could be a promising electrode material for high-performance supercapacitors.This study reports the preparation of 3D hierarchical carbon nanotube (CNT) @MnO2 core-shell nanostructures under the assistance of polypyrrole (PPy). The as-prepared CNT@PPy@MnO2 core-shell structures show a perfect coating of MnO2 on each CNT and, more importantly, a robust bush-like pseudocapacitive shell to effectively increase the specific surface area and enhance the ion accessibility. As expected, a high specific capacity of 490-530 F g-1 has been achieved from CNT@PPy@MnO2 single electrodes. And about 98.5% of the capacity is retained after 1000 charge/discharge cycles at a current density of 5 A g-1. Furthermore, the assembled asymmetric CNT@PPy@MnO2//AC capacitors show the maximum energy density of 38.42 W h kg-1 (2.24 mW h cm-3) at a power density of 100 W kg-1 (5.83 mW cm-3), and they maintain 59.52% of the initial value at 10 000 W kg-1 (0.583 W cm-3). In addition, the assembled devices show high cycling stabilities (89.7% after 2000 cycles for asymmetric and 87.2% for symmetric), and a high bending stability (64.74% after 200 bending tests). This ability to obtain high energy densities at high power rates while maintaining high cycling stability demonstrates that this well-designed structure could be a promising electrode material for high-performance supercapacitors. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03426d

Mechanism of growth of the Ge wetting layer upon exposure of Si(100)-2 x 1 to GeH4.

PubMed

Liu, Chie-Sheng; Chou, Li-Wei; Hong, Lu-Sheng; Jiang, Jyh-Chiang

2008-04-23

This paper describes the initial reaction kinetics of Ge deposition after exposure of Si(100)-2 x 1 to GeH4 in a UHV-CVD system. The rate of Ge growth, especially at the wetting layer stage, was investigated using in situ X-ray photoelectron spectroscopy to measure the Ge signal at the onset of deposition. A kinetic analysis of the initial growth of the Ge wetting layer at temperatures ranging from 698 to 823 K revealed an activation energy of 30.7 kcal/mol. Density functional theory calculations suggested that opening of the Si dimer--with a closely matching energy barrier of 29.7 kcal/mol, following hydrogen atom migration--was the rate controlling step for the incorporation of a GeH2 unit into the lattice to complete the growth of the Ge wetting layer after dissociative adsorption of GeH4.

Lithium-antimony-lead liquid metal battery for grid-level energy storage

NASA Astrophysics Data System (ADS)

Wang, Kangli; Jiang, Kai; Chung, Brice; Ouchi, Takanari; Burke, Paul J.; Boysen, Dane A.; Bradwell, David J.; Kim, Hojong; Muecke, Ulrich; Sadoway, Donald R.

2014-10-01

The ability to store energy on the electric grid would greatly improve its efficiency and reliability while enabling the integration of intermittent renewable energy technologies (such as wind and solar) into baseload supply. Batteries have long been considered strong candidate solutions owing to their small spatial footprint, mechanical simplicity and flexibility in siting. However, the barrier to widespread adoption of batteries is their high cost. Here we describe a lithium-antimony-lead liquid metal battery that potentially meets the performance specifications for stationary energy storage applications. This Li||Sb-Pb battery comprises a liquid lithium negative electrode, a molten salt electrolyte, and a liquid antimony-lead alloy positive electrode, which self-segregate by density into three distinct layers owing to the immiscibility of the contiguous salt and metal phases. The all-liquid construction confers the advantages of higher current density, longer cycle life and simpler manufacturing of large-scale storage systems (because no membranes or separators are involved) relative to those of conventional batteries. At charge-discharge current densities of 275 milliamperes per square centimetre, the cells cycled at 450 degrees Celsius with 98 per cent Coulombic efficiency and 73 per cent round-trip energy efficiency. To provide evidence of their high power capability, the cells were discharged and charged at current densities as high as 1,000 milliamperes per square centimetre. Measured capacity loss after operation for 1,800 hours (more than 450 charge-discharge cycles at 100 per cent depth of discharge) projects retention of over 85 per cent of initial capacity after ten years of daily cycling. Our results demonstrate that alloying a high-melting-point, high-voltage metal (antimony) with a low-melting-point, low-cost metal (lead) advantageously decreases the operating temperature while maintaining a high cell voltage. Apart from the fact that this finding puts us on a desirable cost trajectory, this approach may well be more broadly applicable to other battery chemistries.

Lithium-antimony-lead liquid metal battery for grid-level energy storage.

PubMed

Wang, Kangli; Jiang, Kai; Chung, Brice; Ouchi, Takanari; Burke, Paul J; Boysen, Dane A; Bradwell, David J; Kim, Hojong; Muecke, Ulrich; Sadoway, Donald R

2014-10-16

The ability to store energy on the electric grid would greatly improve its efficiency and reliability while enabling the integration of intermittent renewable energy technologies (such as wind and solar) into baseload supply. Batteries have long been considered strong candidate solutions owing to their small spatial footprint, mechanical simplicity and flexibility in siting. However, the barrier to widespread adoption of batteries is their high cost. Here we describe a lithium-antimony-lead liquid metal battery that potentially meets the performance specifications for stationary energy storage applications. This Li||Sb-Pb battery comprises a liquid lithium negative electrode, a molten salt electrolyte, and a liquid antimony-lead alloy positive electrode, which self-segregate by density into three distinct layers owing to the immiscibility of the contiguous salt and metal phases. The all-liquid construction confers the advantages of higher current density, longer cycle life and simpler manufacturing of large-scale storage systems (because no membranes or separators are involved) relative to those of conventional batteries. At charge-discharge current densities of 275 milliamperes per square centimetre, the cells cycled at 450 degrees Celsius with 98 per cent Coulombic efficiency and 73 per cent round-trip energy efficiency. To provide evidence of their high power capability, the cells were discharged and charged at current densities as high as 1,000 milliamperes per square centimetre. Measured capacity loss after operation for 1,800 hours (more than 450 charge-discharge cycles at 100 per cent depth of discharge) projects retention of over 85 per cent of initial capacity after ten years of daily cycling. Our results demonstrate that alloying a high-melting-point, high-voltage metal (antimony) with a low-melting-point, low-cost metal (lead) advantageously decreases the operating temperature while maintaining a high cell voltage. Apart from the fact that this finding puts us on a desirable cost trajectory, this approach may well be more broadly applicable to other battery chemistries.

Chromatic energy filter and characterization of laser-accelerated proton beams for particle therapy

NASA Astrophysics Data System (ADS)

Hofmann, Ingo; Meyer-ter-Vehn, Jürgen; Yan, Xueqing; Al-Omari, Husam

2012-07-01

The application of laser accelerated protons or ions for particle therapy has to cope with relatively large energy and angular spreads as well as possibly significant random fluctuations. We suggest a method for combined focusing and energy selection, which is an effective alternative to the commonly considered dispersive energy selection by magnetic dipoles. Our method is based on the chromatic effect of a magnetic solenoid (or any other energy dependent focusing device) in combination with an aperture to select a certain energy width defined by the aperture radius. It is applied to an initial 6D phase space distribution of protons following the simulation output from a Radiation Pressure Acceleration model. Analytical formula for the selection aperture and chromatic emittance are confirmed by simulation results using the TRACEWIN code. The energy selection is supported by properly placed scattering targets to remove the imprint of the chromatic effect on the beam and to enable well-controlled and shot-to-shot reproducible energy and transverse density profiles.

How likely are constituent quanta to initiate inflation?

DOE PAGES

Berezhiani, Lasha; Trodden, Mark

2015-08-06

In this study, we propose an intuitive framework for studying the problem of initial conditions in slow-roll inflation. In particular, we consider a universe at high, but sub-Planckian energy density and analyze the circumstances under which it is plausible for it to become dominated by inflated patches at late times, without appealing to the idea of self-reproduction. Our approach is based on defining a prior probability distribution for the constituent quanta of the pre-inflationary universe. To test the idea that inflation can begin under very generic circumstances, we make specific – yet quite general and well grounded – assumptions onmore » the prior distribution. As a result, we are led to the conclusion that the probability for a given region to ignite inflation at sub-Planckian densities is extremely small. Furthermore, if one chooses to use the enormous volume factor that inflation yields as an appropriate measure, we find that the regions of the universe which started inflating at densities below the self-reproductive threshold nevertheless occupy a negligible physical volume in the present universe as compared to those domains that have never inflated.« less

The energy density distribution of an ideal gas and Bernoulli’s equations

NASA Astrophysics Data System (ADS)

Santos, Leonardo S. F.

2018-05-01

This work discusses the energy density distribution in an ideal gas and the consequences of Bernoulli’s equation and the corresponding relation for compressible fluids. The aim of this work is to study how Bernoulli’s equation determines the energy flow in a fluid, although Bernoulli’s equation does not describe the energy density itself. The model from molecular dynamic considerations that describes an ideal gas at rest with uniform density is modified to explore the gas in motion with non-uniform density and gravitational effects. The difference between the component of the speed of a particle that is parallel to the gas speed and the gas speed itself is called ‘parallel random speed’. The pressure from the ‘parallel random speed’ is denominated as parallel pressure. The modified model predicts that the energy density is the sum of kinetic and potential gravitational energy densities plus two terms with static and parallel pressures. The application of Bernoulli’s equation and the corresponding relation for compressible fluids in the energy density expression has resulted in two new formulations. For incompressible and compressible gas, the energy density expressions are written as a function of stagnation, static and parallel pressures, without any dependence on kinetic or gravitational potential energy densities. These expressions of the energy density are the main contributions of this work. When the parallel pressure was uniform, the energy density distribution for incompressible approximation and compressible gas did not converge to zero for the limit of null static pressure. This result is rather unusual because the temperature tends to zero for null pressure. When the gas was considered incompressible and the parallel pressure was equal to static pressure, the energy density maintained this unusual behaviour with small pressures. If the parallel pressure was equal to static pressure, the energy density converged to zero for the limit of the null pressure only if the gas was compressible. Only the last situation describes an intuitive behaviour for an ideal gas.

Magnetized stratified rotating shear waves.

PubMed

Salhi, A; Lehner, T; Godeferd, F; Cambon, C

2012-02-01

We present a spectral linear analysis in terms of advected Fourier modes to describe the behavior of a fluid submitted to four constraints: shear (with rate S), rotation (with angular velocity Ω), stratification, and magnetic field within the linear spectral theory or the shearing box model in astrophysics. As a consequence of the fact that the base flow must be a solution of the Euler-Boussinesq equations, only radial and/or vertical density gradients can be taken into account. Ertel's theorem no longer is valid to show the conservation of potential vorticity, in the presence of the Lorentz force, but a similar theorem can be applied to a potential magnetic induction: The scalar product of the density gradient by the magnetic field is a Lagrangian invariant for an inviscid and nondiffusive fluid. The linear system with a minimal number of solenoidal components, two for both velocity and magnetic disturbance fields, is eventually expressed as a four-component inhomogeneous linear differential system in which the buoyancy scalar is a combination of solenoidal components (variables) and the (constant) potential magnetic induction. We study the stability of such a system for both an infinite streamwise wavelength (k(1) = 0, axisymmetric disturbances) and a finite one (k(1) ≠ 0, nonaxisymmetric disturbances). In the former case (k(1) = 0), we recover and extend previous results characterizing the magnetorotational instability (MRI) for combined effects of radial and vertical magnetic fields and combined effects of radial and vertical density gradients. We derive an expression for the MRI growth rate in terms of the stratification strength, which indicates that purely radial stratification can inhibit the MRI instability, while purely vertical stratification cannot completely suppress the MRI instability. In the case of nonaxisymmetric disturbances (k(1) ≠ 0), we only consider the effect of vertical stratification, and we use Levinson's theorem to demonstrate the stability of the solution at infinite vertical wavelength (k(3) = 0): There is an oscillatory behavior for τ > 1+|K(2)/k(1)|, where τ = St is a dimensionless time and K(2) is the radial component of the wave vector at τ = 0. The model is suitable to describe instabilities leading to turbulence by the bypass mechanism that can be relevant for the analysis of magnetized stratified Keplerian disks with a purely azimuthal field. For initial isotropic conditions, the time evolution of the spectral density of total energy (kinetic + magnetic + potential) is considered. At k(3) = 0, the vertical motion is purely oscillatory, and the sum of the vertical (kinetic + magnetic) energy plus the potential energy does not evolve with time and remains equal to its initial value. The horizontal motion can induce a rapid transient growth provided K(2)/k(1)>1. This rapid growth is due to the aperiodic velocity vortex mode that behaves like K(h)/k(h) where k(h)(τ)=[k(1)(2) + (K(2) - k(1)τ)(2)](1/2) and K(h) =k(h)(0). After the leading phase (τ > K(2)/k(1)>1), the horizontal magnetic energy and the horizontal kinetic energy exhibit a similar (oscillatory) behavior yielding a high level of total energy. The contribution to energies coming from the modes k(1) = 0 and k(3) = 0 is addressed by investigating the one-dimensional spectra for an initial Gaussian dense spectrum. For a magnetized Keplerian disk with a purely vertical field, it is found that an important contribution to magnetic and kinetic energies comes from the region near k(1) = 0. The limit at k(1) = 0 of the streamwise one-dimensional spectra of energies, or equivalently, the streamwise two-dimensional (2D) energy, is then computed. The comparison of the ratios of these 2D quantities with their three-dimensional counterparts provided by previous direct numerical simulations shows a quantitative agreement.

Reproductive energy expenditure and changes in body morphology for a population of Chinook salmon Oncorhynchus tshawytscha with a long distance migration.

PubMed

Bowerman, T E; Pinson-Dumm, A; Peery, C A; Caudill, C C

2017-05-01

Energetic demands of a long freshwater migration, extended holding period, gamete development and spawning were evaluated for a population of stream-type Chinook salmon Oncorhynchus tshawytscha. Female and male somatic mass decreased by 24 and 21%, respectively, during migration and by an additional 18 and 12% during holding. Between freshwater entry and death after spawning, females allocated 14% of initial somatic energy towards gonad development and 78% for metabolism (46, 25 and 7% during migration, holding and spawning, respectively). Males used only 2% of initial somatic energy for gonad development and 80% on metabolic costs, as well as an increase in snout length (41, 28 and 11% during migration, holding and spawning, respectively). Individually marked O. tshawytscha took between 27 and 53 days to migrate 920 km. Those with slower travel times through the dammed section of the migration corridor arrived at spawning grounds with less muscle energy than faster migrants. Although energy depletion did not appear to be the proximate cause of death in most pre-spawn mortalities, average final post-spawning somatic energy densities were low at 3·6 kJ g -1 in females and 4·1 kJ g -1 in males, consistent with the concept of a minimum energy threshold required to sustain life in semelparous salmonids. © 2017 The Fisheries Society of the British Isles.

Opening up the QCD axion window

NASA Astrophysics Data System (ADS)

Agrawal, Prateek; Marques-Tavares, Gustavo; Xue, Wei

2018-03-01

We present a new mechanism to deplete the energy density of the QCD axion, making decay constants as high as f a ≃ 1017 GeV viable for generic initial conditions. In our setup, the axion couples to a massless dark photon with a coupling that is moderately stronger than the axion coupling to gluons. Dark photons are produced copiously through a tachyonic instability when the axion field starts oscillating, and an exponential suppression of the axion density can be achieved. For a large part of the parameter space this dark radiation component of the universe can be observable in upcoming CMB experiments. Such dynamical depletion of the axion density ameliorates the isocurvature bound on the scale of inflation. The depletion also amplifies the power spectrum at scales that enter the horizon before particle production begins, potentially leading to axion miniclusters.

Synthesis, Consolidation and Characterization of Sol-gel Derived Tantalum-Tungsten Oxide Thermite Composites

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

Cervantes, O

2010-06-01

Energetic composite powders consisting of sol-gel (SG) derived nanostructured tungsten oxide were produced with various amounts of micrometer-scale tantalum fuel metal. Such energetic composite powders were ignition-tested and results show that the powders are not sensitive to friction, spark and/or impact ignition. Initial consolidation experiments, using the High Pressure Spark Plasma Sintering (HPSPS) technique, on the SG derived nanostructured tungsten oxide produced samples with higher relative density than can be achieved with commercially available tungsten oxide. The SG derived nanostructured tungsten oxide with immobilized tantalum fuel metal (Ta - WO3) energetic composite was consolidated to a density of 9.17 g·cm-3more » or 93% relative density. In addition, those samples were consolidated without significant pre-reaction of the constituents, thus retaining their stored chemical energy.« less

Laser-induced damage of intrinsic and extrinsic defects by picosecond pulses on multilayer dielectric coatings for petawatt-class lasers

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

Negres, Raluca A.; Carr, Christopher W.; Laurence, Ted A.

2016-08-01

Here, we describe a damage testing system and its use in investigating laser-induced optical damage initiated by both intrinsic and extrinsic precursors on multilayer dielectric coatings suitable for use in high-energy, large-aperture petawatt-class lasers. We employ small-area damage test methodologies to evaluate the intrinsic damage resistance of various coatings as a function of deposition methods and coating materials under simulated use conditions. In addition, we demonstrate that damage initiation by raster scanning at lower fluences and growth threshold testing are required to probe the density of extrinsic defects, which will limit large-aperture optics performance.

Streamer properties and associated x-rays in perturbed air

NASA Astrophysics Data System (ADS)

Köhn, C.; Chanrion, O.; Babich, L. P.; Neubert, T.

2018-01-01

Streamers are ionization waves in electric discharges. One of the key ingredients of streamer propagation is an ambient gas that serves as a source of free electrons. Here, we explore the dependence of streamer dynamics on different spatial distributions of ambient air molecules. We vary the spatial profile of air parallel and perpendicular to the ambient electric field. We consider local sinusoidal perturbations of 5%-100%, as induced from discharge shock waves. We use a cylindrically symmetric particle-in-cell code to simulate the evolution of bidirectional streamers and compare the electron density, electric field, streamer velocity and electron energy of streamers in uniform air and in perturbed air. In all considered cases, the motion is driven along in decreasing air density and damped along increasing air density. Perturbations of at most 5%-10% change the velocity differences by up to approximately 40%. Perturbations perpendicular to the electric field additionally squeeze or branch streamers. Air variations can thus partly explain the difference of velocities and morphologies of streamer discharges. In cases with large perturbations, electrons gain energies of up to 30 keV compared to 100 eV in uniformly distributed air. For such perturbations parallel to the ambient electric field, we see the spontaneous initiation of a negative streamer; for perpendicular perturbations, x-rays with energies of up to 20 keV are emitted within 0.17 ns.

The Physics of the Dense Z-Pinch in Theory and in Experiment With Application to Fusion Reactor

NASA Astrophysics Data System (ADS)

Haines, M. G.

1982-01-01

A new generation of Z-pinches employing high voltage, high current pulsed lines as power sources produce dense hot plasmas with enhanced stability properties. Three methods of Z-pinch formation are currently in use: (1) cylindrical collapse and compression of a pre-ionised gas; (2) laser initiation and Joule heating of a gas embedded pinch, and (3) hollow gas puff and subsequent collapse to the axis. The first method shows no dynamic bounce and no instability over about ten radial Alfvén transit times. The laser initiated Z-pinch shows benign helical structures, whilst the gas puff experiments are known for their high X-ray energy conversion associated with m = 0 instabilities. The first two experimental conditions are relevant for fusion. A calculation of energy balance for satisfying Lawson conditions with axial and radial energy losses and radiation loss shows that a current I of ~ 106 A and a line density N of 6 × 1018m-1 are required. This leads to two coincidences of physical quantities that are very favourable for controlled fusion. The first is that at this line density and under pressure balance the ratio of the ion Larmor radius to pinch radius is of order 1 so that a marked stabilisation of the configuration is expected. The second coincidence is that the current is only just below the Pease-Braginskii limit; this will permit the possibility of radiative collapse to attain the high density (~ 4 × 1027 m-3) and small radius (~ 20 μm) required for a compact (0.1 m long) discharge. The confining self-magnetic field is 104 T, the confinement time ~ 100 ns, and a matrix of pulsed discharges is envisaged in a moderator and breeding medium which does not have the wall-loading limitations of tokamaks.

Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations

NASA Astrophysics Data System (ADS)

Sagert, I.; Fann, G. I.; Fattoyev, F. J.; Postnikov, S.; Horowitz, C. J.

2016-05-01

Background: Neutron star and supernova matter at densities just below the nuclear matter saturation density is expected to form a lattice of exotic shapes. These so-called nuclear pasta phases are caused by Coulomb frustration. Their elastic and transport properties are believed to play an important role for thermal and magnetic field evolution, rotation, and oscillation of neutron stars. Furthermore, they can impact neutrino opacities in core-collapse supernovae. Purpose: In this work, we present proof-of-principle three-dimensional (3D) Skyrme Hartree-Fock (SHF) simulations of nuclear pasta with the Multi-resolution ADaptive Numerical Environment for Scientific Simulations (MADNESS). Methods: We perform benchmark studies of 16O, 208Pb, and 238U nuclear ground states and calculate binding energies via 3D SHF simulations. Results are compared with experimentally measured binding energies as well as with theoretically predicted values from an established SHF code. The nuclear pasta simulation is initialized in the so-called waffle geometry as obtained by the Indiana University Molecular Dynamics (IUMD) code. The size of the unit cell is 24 fm with an average density of about ρ =0.05 fm-3 , proton fraction of Yp=0.3 , and temperature of T =0 MeV. Results: Our calculations reproduce the binding energies and shapes of light and heavy nuclei with different geometries. For the pasta simulation, we find that the final geometry is very similar to the initial waffle state. We compare calculations with and without spin-orbit forces. We find that while subtle differences are present, the pasta phase remains in the waffle geometry. Conclusions: Within the MADNESS framework, we can successfully perform calculations of inhomogeneous nuclear matter. By using pasta configurations from IUMD it is possible to explore different geometries and test the impact of self-consistent calculations on the latter.

Electronic energy density in chemical reaction systems

NASA Astrophysics Data System (ADS)

Tachibana, Akitomo

2001-08-01

The energy of chemical reaction is visualized in real space using the electronic energy density nE(r⃗) associated with the electron density n(r⃗). The electronic energy density nE(r⃗) is decomposed into the kinetic energy density nT(r⃗), the external potential energy density nV(r⃗), and the interelectron potential energy density nW(r⃗). Using the electronic energy density nE(r⃗) we can pick up any point in a chemical reaction system and find how the electronic energy E is assigned to the selected point. We can then integrate the electronic energy density nE(r⃗) in any region R surrounding the point and find out the regional electronic energy ER to the global E. The kinetic energy density nT(r⃗) is used to identify the intrinsic shape of the reactants, the electronic transition state, and the reaction products along the course of the chemical reaction coordinate. The intrinsic shape is identified with the electronic interface S that discriminates the region RD of the electronic drop from the region RA of the electronic atmosphere in the density distribution of the electron gas. If the R spans the whole space, then the integral gives the total E. The regional electronic energy ER in thermodynamic ensemble is realized in electrochemistry as the intrinsic Volta electric potential φR and the intrinsic Herring-Nichols work function ΦR. We have picked up first a hydrogen-like atom for which we have analytical exact expressions of the relativistic kinetic energy density nTM(r⃗) and its nonrelativistic version nT(r⃗). These expressions are valid for any excited bound states as well as the ground state. Second, we have selected the following five reaction systems and show the figures of the nT(r⃗) as well as the other energy densities along the intrinsic reaction coordinates: a protonation reaction to He, addition reactions of HF to C2H4 and C2H2, hydrogen abstraction reactions of NH3+ from HF and NH3. Valence electrons possess their unique delocalized drop region remote from those heavily localized drop regions adhered to core electrons. The kinetic energy density nT(r⃗) and the tension density τ⃗S(r⃗) can vividly demonstrate the formation of the chemical bond. Various basic chemical concepts in these chemical reaction systems have been clearly visualized in real three-dimensional space.

Energetics of edge oxidization of graphene nanoribbons

NASA Astrophysics Data System (ADS)

Yasuma, Airi; Yamanaka, Ayaka; Okada, Susumu

2018-06-01

On the basis of the density functional theory, we studied the geometries and energetics of O atoms adsorbed on graphene edges for simulating the initial stage of the edge oxidization of graphene. Our calculations showed that oxygen atoms are preferentially adsorbed onto the graphene edges with the zigzag portion, resulting in a large adsorption energy of about 5 eV. On the other hand, the edges with armchair shape are rarely oxidized, or the oxidization causes substantial structural reconstructions, because of the stable covalent bond at the armchair edge with the triple bond nature. Furthermore, the energetics sensitively depends on the edge angles owing to the inhomogeneity of the charge density at the edge atomic sites.

High performance zinc anode for battery applications

NASA Technical Reports Server (NTRS)

Casey, John E., Jr. (Inventor)

1998-01-01

An improved zinc anode for use in a high density rechargeable alkaline battery is disclosed. A process for making the zinc electrode comprises electrolytic loading of the zinc active material from a slightly acidic zinc nitrate solution into a substrate of nickel, copper or silver. The substrate comprises a sintered plaque having very fine pores, a high surface area, and 80-85 percent total initial porosity. The residual porosity after zinc loading is approximately 25-30%. The electrode of the present invention exhibits reduced zinc mobility, shape change and distortion, and demonstrates reduced dendrite buildup cycling of the battery. The disclosed battery is useful for applications requiring high energy density and multiple charge capability.

Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions

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

Cinal, M.; Holas, A.

2011-06-15

The reported algorithm determines the exact exchange potential v{sub x} in an iterative way using energy shifts (ESs) and orbital shifts (OSs) obtained with finite-difference formulas from the solutions (occupied orbitals and their energies) of the Hartree-Fock-like equation and the Kohn-Sham-like equation, the former used for the initial approximation to v{sub x} and the latter for increments of ES and OS due to subsequent changes of v{sub x}. Thus, the need for solution of the differential equations for OSs, used by Kuemmel and Perdew [Phys. Rev. Lett. 90, 043004 (2003)], is bypassed. The iterated exchange potential, expressed in terms ofmore » ESs and OSs, is improved by modifying ESs at odd iteration steps and OSs at even steps. The modification formulas are related to the optimized-effective-potential equation (satisfied at convergence) written as the condition of vanishing density shift (DS). They are obtained, respectively, by enforcing its satisfaction through corrections to approximate OSs and by determining the optimal ESs that minimize the DS norm. The proposed method, successfully tested for several closed-(sub)shell atoms, from Be to Kr, within the density functional theory exchange-only approximation, proves highly efficient. The calculations using the pseudospectral method for representing orbitals give iterative sequences of approximate exchange potentials (starting with the Krieger-Li-Iafrate approximation) that rapidly approach the exact v{sub x} so that, for Ne, Ar, and Zn, the corresponding DS norm becomes less than 10{sup -6} after 13, 13, and 9 iteration steps for a given electron density. In self-consistent density calculations, orbital energies of 10{sup -4} hartree accuracy are obtained for these atoms after, respectively, 9, 12, and 12 density iteration steps, each involving just two steps of v{sub x} iteration, while the accuracy limit of 10{sup -6} to 10{sup -7} hartree is reached after 20 density iterations.« less

Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions

NASA Astrophysics Data System (ADS)

Cinal, M.; Holas, A.

2011-06-01

The reported algorithm determines the exact exchange potential vx in an iterative way using energy shifts (ESs) and orbital shifts (OSs) obtained with finite-difference formulas from the solutions (occupied orbitals and their energies) of the Hartree-Fock-like equation and the Kohn-Sham-like equation, the former used for the initial approximation to vx and the latter for increments of ES and OS due to subsequent changes of vx. Thus, the need for solution of the differential equations for OSs, used by Kümmel and Perdew [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.90.043004 90, 043004 (2003)], is bypassed. The iterated exchange potential, expressed in terms of ESs and OSs, is improved by modifying ESs at odd iteration steps and OSs at even steps. The modification formulas are related to the optimized-effective-potential equation (satisfied at convergence) written as the condition of vanishing density shift (DS). They are obtained, respectively, by enforcing its satisfaction through corrections to approximate OSs and by determining the optimal ESs that minimize the DS norm. The proposed method, successfully tested for several closed-(sub)shell atoms, from Be to Kr, within the density functional theory exchange-only approximation, proves highly efficient. The calculations using the pseudospectral method for representing orbitals give iterative sequences of approximate exchange potentials (starting with the Krieger-Li-Iafrate approximation) that rapidly approach the exact vx so that, for Ne, Ar, and Zn, the corresponding DS norm becomes less than 10-6 after 13, 13, and 9 iteration steps for a given electron density. In self-consistent density calculations, orbital energies of 10-4 hartree accuracy are obtained for these atoms after, respectively, 9, 12, and 12 density iteration steps, each involving just two steps of vx iteration, while the accuracy limit of 10-6 to 10-7 hartree is reached after 20 density iterations.

Dietary energy density: Applying behavioural science to weight management.

PubMed

Rolls, B J

2017-09-01

Studies conducted by behavioural scientists show that energy density (kcal/g) provides effective guidance for healthy food choices to control intake and promote satiety. Energy density depends upon a number of dietary components, especially water (0 kcal/g) and fat (9 kcal/g). Increasing the proportion of water or water-rich ingredients, such as vegetables or fruit, lowers a food's energy density. A number of studies show that when the energy density of the diet is reduced, both adults and children spontaneously decrease their ad libitum energy intake. Other studies show that consuming a large volume of a low-energy-dense food such as soup, salad, or fruit as a first course preload can enhance satiety and reduce overall energy intake at a meal. Current evidence suggests that energy density influences intake through a complex interplay of cognitive, sensory, gastrointestinal, hormonal and neural influences. Other studies that focus on practical applications show how the strategic incorporation of foods lower in energy density into the diet allows people to eat satisfying portions while improving dietary patterns. This review discusses studies that have led to greater understanding of the importance of energy density for food intake regulation and weight management.

Species Entropies in the Kinetic Range of Collisionless Plasma Turbulence: Particle-in-cell Simulations

NASA Astrophysics Data System (ADS)

Gary, S. Peter; Zhao, Yinjian; Hughes, R. Scott; Wang, Joseph; Parashar, Tulasi N.

2018-06-01

Three-dimensional particle-in-cell simulations of the forward cascade of decaying turbulence in the relatively short-wavelength kinetic range have been carried out as initial-value problems on collisionless, homogeneous, magnetized electron-ion plasma models. The simulations have addressed both whistler turbulence at β i = β e = 0.25 and kinetic Alfvén turbulence at β i = β e = 0.50, computing the species energy dissipation rates as well as the increase of the Boltzmann entropies for both ions and electrons as functions of the initial dimensionless fluctuating magnetic field energy density ε o in the range 0 ≤ ε o ≤ 0.50. This study shows that electron and ion entropies display similar rates of increase and that all four entropy rates increase approximately as ε o , consistent with the assumption that the quasilinear premise is valid for the initial conditions assumed for these simulations. The simulations further predict that the time rates of ion entropy increase should be substantially greater for kinetic Alfvén turbulence than for whistler turbulence.

Setting initial conditions for inflation with reaction-diffusion equation

NASA Astrophysics Data System (ADS)

Bagchi, Partha; Das, Arpan; Dave, Shreyansh S.; Sengupta, Srikumar; Srivastava, Ajit M.

2018-03-01

We discuss the issue of setting appropriate initial conditions for inflation. Specifically, we consider natural inflation model and discuss the fine tuning required for setting almost homogeneous initial conditions over a region of order several times the Hubble size which is orders of magnitude larger than any relevant correlation length for field fluctuations. We then propose to use the special propagating front solutions of reaction-diffusion equations for localized field domains of smaller sizes. Due to very small velocities of these propagating fronts we find that the inflaton field in such a field domain changes very slowly, contrary to naive expectation of rapid roll down to the true vacuum. Continued expansion leads to the energy density in the Hubble region being dominated by the vacuum energy, thereby beginning the inflationary phase. Our results show that inflation can occur even with a single localized field domain of size smaller than the Hubble size. We discuss possible extensions of our results for different inflationary models, as well as various limitations of our analysis (e.g. neglecting self gravity of the localized field domain).

Hypocalcemia and tetany caused by vitamin D deficiency in a child with intestinal lymphangiectasia.

PubMed

Lu, Ying-Yi; Wu, Jia-Feng; Ni, Yen-Hsuan; Peng, Steven Shinn-Forng; Shun, Chia-Tung; Chang, Mei-Hwei

2009-10-01

Primary intestinal lymphangiectasia is a rare disease of children, which is characterized by chronic diarrhea and complicated with malnutrition, including fat-soluble vitamin deficiency. We report a girl aged 4 years and 8 months who was diagnosed with the disease by endoscopic duodenal biopsy at 8 months of age. She presented initially with chronic diarrhea at 4 months of age. Generalized edema with hypoalbuminemia frequently occurred despite regular albumin supplements. Multiple vitamins initially were not supplied regularly. Episodes of tetany caused by hypocalcemia developed 4 years after the diagnosis of intestinal lymphangiectasia. Imaging study (long-bone X-ray and dual-energy X-ray absorptiometry) revealed low bone density. Complicated vitamin D deficiency [low serum 25-hydroxy vitamin D concentration (< 12.48 mmol/L, the detection limit)] and secondary hyperparathyroidism were confirmed via blood testing. Vitamin D supplementation for 3 months improved her bone density, secondary hyperparathyroidism and frequent tetany. Vitamin D status should be monitored in patients with intestinal lymphangiectasia.

Nanoscaled Na3PS4 Solid Electrolyte for All-Solid-State FeS2/Na Batteries with Ultrahigh Initial Coulombic Efficiency of 95% and Excellent Cyclic Performances.

PubMed

Wan, Hongli; Mwizerwa, Jean Pierre; Qi, Xingguo; Xu, Xiaoxiong; Li, Hong; Zhang, Qiang; Cai, Liangting; Hu, Yong-Sheng; Yao, Xiayin

2018-04-18

Nanosized Na 3 PS 4 solid electrolyte with an ionic conductivity of 8.44 × 10 -5 S cm -1 at room temperature is synthesized by a liquid-phase reaction. The resultant all-solid-state FeS 2 /Na 3 PS 4 /Na batteries show an extraordinary high initial Coulombic efficiency of 95% and demonstrate high energy density of 611 Wh kg -1 at current density of 20 mA g -1 at room temperature. The outstanding performances of the battery can be ascribed to good interface compatibility and intimate solid-solid contact at FeS 2 electrode/nanosized Na 3 PS 4 solid electrolytes interface. Meanwhile, excellent cycling stability is achieved for the battery after cycling at 60 mA g -1 for 100 cycles, showing a high capacity of 287 mAh g -1 with the capacity retention of 80%.

Vorticity Transport and Wave Emission In A Protoplanetary Disk

NASA Technical Reports Server (NTRS)

Davis, S. S.; Davis, Sanford (Technical Monitor)

2002-01-01

Higher order numerical algorithms (4th order in time, 3rd order in space) are applied to the Euler equations and are used to examine vorticity transport and wave motion in a non-self gravitating, initially isentropic Keplerian disk. In this talk we will examine the response of the disk to an isolated vortex with a circulation about equal to the rotation rate of Jupiter. The vortex is located on the 4 AU circle and the nebula is simulated from 1 to 24 AU. We show that the vortex emits pressure-supported density and Rossby-type wave packets before it decays within a few orbits. The acoustic density waves evolve into weak (non entropy preserving) shock waves that propagate over the entire disk. The Rossby waves remain in the vicinity of the initial vortex disturbance, but are rapidly damped. Temporal frequencies and spatial wavenumbers are derived from the nonlinear simulation data and correlated with analytical dispersion relations from the linearized Euler and energy equations.

Suppression of high-pT hadrons in Pb+Pb collisions at energies available at the CERN Large Hadron Collider

NASA Astrophysics Data System (ADS)

Chen, Xiao-Fang; Hirano, Tetsufumi; Wang, Enke; Wang, Xin-Nian; Zhang, Hanzhong

2011-09-01

The nuclear modification factor RAA(pT) for large transverse momentum pion spectra in Pb+Pb collisions at s=2.76 TeV is predicted within the next-to-leading order perturbative QCD parton model. The effect of jet quenching is incorporated through medium-modified fragmentation functions within the higher-twist approach. The jet transport parameter that controls medium modification is proportional to the initial parton density, and the coefficient is fixed by data on the suppression of large-pT hadron spectra obtained at the BNL Relativistic Heavy Ion Collider. Data on charged hadron multiplicity dNch/dη=1584±80 in central Pb+Pb collisions from the ALICE experiment at the CERN Large Hadron Collider are used to constrain the initial parton density both for determining the jet transport parameter and the 3 + 1 dimensional (3 + 1D) ideal hydrodynamic evolution of the bulk matter that is employed for the calculation of RPbPb(pT) for neutral pions.

Fate of Ice Grains in Saturn's Ionosphere

NASA Astrophysics Data System (ADS)

Hamil, O.; Cravens, T. E.; Reedy, N. L.; Sakai, S.

2018-02-01

It has been proposed that the rings of Saturn can contribute both material (i.e., water) and energy to its upper atmosphere and ionosphere. Ionospheric models require the presence of molecular species such as water that can chemically remove ionospheric protons, which otherwise are associated with electron densities that greatly exceed those from observation. These models adopt topside fluxes of water molecules. Other models have shown that ice grains from Saturn's rings can impact the atmosphere, but the effects of these grains have not been previously studied. In the current paper, we model how ice grains deposit both material and energy in Saturn's upper atmosphere as a function of grain size, initial velocity (at the "top" of the atmosphere, defined at an altitude above the cloud tops of 3,000 km), and incident angle. Typical grain speeds are expected to be roughly 15-25 km/s. Grains with radii on the order of 1-10 nm deposit most of their energy in the altitude range of 1,700-1,900 km, and can vaporize, depending on initial velocity and impact angle, contributing water mass to the upper atmosphere. We show that grains in this radius range do not significantly vaporize in our model at initial velocities lower than about 20 km/s.

Influence of stocking density on growth, body composition and energy budget of Atlantic salmon Salmo salar L. in recirculating aquaculture systems

NASA Astrophysics Data System (ADS)

Liu, Baoliang; Liu, Ying; Liu, Ziyi; Qiu, Denggao; Sun, Guoxiang; Li, Xian

2014-09-01

Atlantic salmon Salmo salar were reared at four stocking densities—high density D 1 (final density ˜39 kg/m3), medium densities D 2 (˜29 kg/m3) and D 3 (˜19 kg/m3), and low density D 4 (˜12 kg/m3)—for 40 days to investigate the effect of stocking density on their growth performance, body composition and energy budgets. Stocking density did not significantly affect specific growth rate in terms of weight (SGRw) but did affect specific growth rate in terms of energy (SGRe). Stocking density significantly influenced the ration level (RLw and RLe), feed conversion ratio (FCRw and FCRe) and apparent digestibility rate (ADR). Ration level and FCRw tended to increase with increasing density. Fish at the highest density D 1 and lowest density D 4 showed lower FCRe and higher ADR than at medium densities. Stocking density significantly affected protein and energy contents of the body but did not affect its moisture, lipid, or ash contents. The expenditure of energy for metabolism in the low-density and high-density groups was lower than that in the medium-density groups. Stocking density affected energy utilization from the feces but had no effect on excretion rate. The greater energy allocation to growth at high density and low density may be attributed to reduced metabolic rate and increased apparent digestibility rate. These findings provide information that will assist selection of suitable stocking densities in the Atlantic-salmon-farming industry.

Measurements of mass attenuation coefficient, effective atomic number and electron density of some amino acids

NASA Astrophysics Data System (ADS)

Kore, Prashant S.; Pawar, Pravina P.

2014-05-01

The mass attenuation coefficients of some amino acids, such as DL-aspartic acid-LR(C4H7NO4), L-glutamine (C4H10N2O3), creatine monohydrate LR(C4H9N3O2H2O), creatinine hydrochloride (C4H7N3O·HCl) L-asparagine monohydrate(C4H9N3O2H2O), L-methionine LR(C5H11NO2S), were measured at 122, 356, 511, 662, 1170, 1275 and 1330 keV photon energies using a well-collimated narrow beam good geometry set-up. The gamma-rays were detected using NaI (Tl) scintillation detection system with a resolution of 0.101785 at 662 keV. The attenuation coefficient data were then used to obtain the effective atomic numbers (Zeff), and effective electron densities (Neff) of amino acids. It was observed that the effective atomic number (Zeff) and effective electron densities (Neff) initially decrease and tend to be almost constant as a function of gamma-ray energy. Zeff and Neff experimental values showed good agreement with the theoretical values with less than 1% error for amino acids.

Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen

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

Krishnapriyan, A.; Yang, P.; Niklasson, A. M. N.

New parametrizations for semiempirical density functional tight binding (DFTB) theory have been developed by the numerical optimization of adjustable parameters to minimize errors in the atomization energy and interatomic forces with respect to ab initio calculated data. Initial guesses for the radial dependences of the Slater- Koster bond integrals and overlap integrals were obtained from minimum basis density functional theory calculations. The radial dependences of the pair potentials and the bond and overlap integrals were represented by simple analytic functions. The adjustable parameters in these functions were optimized by simulated annealing and steepest descent algorithms to minimize the value ofmore » an objective function that quantifies the error between the DFTB model and ab initio calculated data. The accuracy and transferability of the resulting DFTB models for the C, H, N, and O system were assessed by comparing the predicted atomization energies and equilibrium molecular geometries of small molecules that were not included in the training data from DFTB to ab initio data. The DFTB models provide accurate predictions of the properties of hydrocarbons and more complex molecules containing C, H, N, and O.« less

Wearable supercapacitors on polyethylene terephthalate fabrics with good wash fastness and high flexibility

NASA Astrophysics Data System (ADS)

Wang, Guixia; Babaahmadi, Vahid; He, Nanfei; Liu, Yixin; Pan, Qin; Montazer, Majid; Gao, Wei

2017-11-01

All solid-state micro-supercapacitors (MSC) have emerged as attractive energy-storage units for portable and wearable electronics. Here, we describe a textile-based solid-state MSC via laser scribing of graphene oxide (GO) coatings on a flexible polyethylene terephthalate (PET) fabric. The laser-scribed graphene oxide layers (LGO) possess three-dimensionally porous structure suitable for electrochemical-double-layer formation. To improve the wash fastness and the flexibility of the as-prepared MSCs, glutaraldehyde (GA) was employed to crosslink the GO layers and PVA-gel electrolyte onto the PET fabric. The resultant all solid-state MSCs exhibited excellent flexibility, high areal specific capacitance (756 μF·cm-2 at 20 mV·s-1), and good rate capability when subject to bending and laundering. Furthermore, the MSC device showed a high power density of about 1.4 W·cm-3 and an energy density of 5.3 × 10-5 Wh·cm-3, and retained 98.3% of its initial capacitance after 1000 cycles at a current density of 0.5 mA·cm-2. This work is the first demonstration of in-plane MSCs on PET fabric surfaces with enhanced durability and flexibility.

Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen

DOE PAGES

Krishnapriyan, A.; Yang, P.; Niklasson, A. M. N.; ...

2017-10-17

New parametrizations for semiempirical density functional tight binding (DFTB) theory have been developed by the numerical optimization of adjustable parameters to minimize errors in the atomization energy and interatomic forces with respect to ab initio calculated data. Initial guesses for the radial dependences of the Slater- Koster bond integrals and overlap integrals were obtained from minimum basis density functional theory calculations. The radial dependences of the pair potentials and the bond and overlap integrals were represented by simple analytic functions. The adjustable parameters in these functions were optimized by simulated annealing and steepest descent algorithms to minimize the value ofmore » an objective function that quantifies the error between the DFTB model and ab initio calculated data. The accuracy and transferability of the resulting DFTB models for the C, H, N, and O system were assessed by comparing the predicted atomization energies and equilibrium molecular geometries of small molecules that were not included in the training data from DFTB to ab initio data. The DFTB models provide accurate predictions of the properties of hydrocarbons and more complex molecules containing C, H, N, and O.« less

Proton, Deuteron and Helion Spectra from Central Au+Au collisions at the AG

NASA Astrophysics Data System (ADS)

Baumgart, Stephen

2002-10-01

The AGS E895 experiment ran Au+Au collisions at bombarding energies of 2, 4, 6 and 8 AGeV. For central collisions, particle spectra have been measured for pions, kaons, protons, deuterons, and helions. From these spectra, the dN/dy distributions have been determined across a rapidity range from approximately -1.5 to 1.5 at maximum beam energy. Integration of the rapidity densities gives the total yields of each particle species. The final charge of the system can be calculated from the total yields to show that all of the initial charge is accounted for. The conclusions from the analyses of the condensate particle spectra will be presented. Fits to the spectra determine the freeze-out temperatures, radial flow velocities, and chemical potentials. The rapidity density distributions are used to estimate the longitudinal flow. The proton phase space density can be estimated by combining the proton spectra with the gaussian freeze-out radii intrepreted from a coalescence model employing the yields of protons, deuterons, tritons, and helions. Comparisons of the above results will be made to the experimental evidence from SIS, the AGS, the SPS, and RHIC.

Extracting the distribution of laser damage precursors on fused silica surfaces for 351 nm, 3 ns laser pulses at high fluences (20-150 J/cm2).

PubMed

Laurence, Ted A; Bude, Jeff D; Ly, Sonny; Shen, Nan; Feit, Michael D

2012-05-07

Surface laser damage limits the lifetime of optics for systems guiding high fluence pulses, particularly damage in silica optics used for inertial confinement fusion-class lasers (nanosecond-scale high energy pulses at 355 nm/3.5 eV). The density of damage precursors at low fluence has been measured using large beams (1-3 cm); higher fluences cannot be measured easily since the high density of resulting damage initiation sites results in clustering. We developed automated experiments and analysis that allow us to damage test thousands of sites with small beams (10-30 µm), and automatically image the test sites to determine if laser damage occurred. We developed an analysis method that provides a rigorous connection between these small beam damage test results of damage probability versus laser pulse energy and the large beam damage results of damage precursor densities versus fluence. We find that for uncoated and coated fused silica samples, the distribution of precursors nearly flattens at very high fluences, up to 150 J/cm2, providing important constraints on the physical distribution and nature of these precursors.

Effect of process variables on the quality attributes of briquettes from wheat, oat, canola and barley

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

Jaya Shankar Tumuluru

2011-08-01

Effect of process variables on the quality attributes of briquettes from wheat, oat, canola and barley straw Jaya Shankar Tumuluru*, L. G. Tabil, Y. Song, K. L. Iroba and V. Meda Biomass is a renewable energy source and environmentally friendly substitute for fossil fuels such as coal and petroleum products. Major limitation of biomass for successful energy application is its low bulk density, which makes it very difficult and costly to transport and handle. To overcome this limitation, biomass has to be densified. The commonly used technologies for densification of biomass are pelletization and briquetting. Briquetting offers many advantages atmore » it can densify larger particles sizes of biomass at higher moisture contents. Briquetting is influenced by a number of feedstock and process variables such as moisture content, particle size distribution, and some operating variables such as temperature and densification pressure. In the present study, experiments were designed and conducted based on Box-Behnken design to produce briquettes using barley, wheat, canola and barley straws. A laboratory scale hydraulic briquette press was used for the present study. The experimental process variables and their levels used in the present study were pressure levels (7.5, 10, 12.5 MPa), three levels of temperature (90, 110, 130 C), at three moisture content levels (9, 12, 15% w.b.), and three levels of particle size (19.1, 25.04, 31.75 mm). The quality variables studied includes moisture content, initial density and final briquette density after two weeks of storage, size distribution index and durability. The raw biomass was initially chopped and size reduced using a hammer mill. The ground biomass was conditioned at different moisture contents and was further densified using laboratory hydraulic press. For each treatment combination, ten briquettes were manufactured at a residence time of about 30 s after compression pressure setpoint was achieved. After compression, the initial dimensions and the final dimensions after 2 weeks of storage in controlled environment of all the samples were measured. Durability, dimensional stability, and moisture content tests were conducted after two weeks of storage of the briquettes produced. Initial results indicated that moisture content played a significant role on briquettes durability, stability, and density. Low moisture content of the straws (7-12%) gave more durable briquettes. Briquette density increased with increasing pressure depending on the moisture content value. The axial expansion was more significant than the lateral expansion, which in some cases tended to be nil depending on the material and operating variables. Further data analysis is in progress in order to understand the significance of the process variables based on ANOVA. Regression models were developed to predict the changes in quality of briquettes with respect of the process variables under study. Keywords: Herbaceous biomass, densification, briquettes, density, durability, dimensional stability, ANOVA and regression equations« less

RF Frequency Oscillations in the Early Stages of Vacuum Arc Collapse

NASA Technical Reports Server (NTRS)

Griffin, Steven T.; Thio, Y. C. Francis

2003-01-01

RF frequency oscillations may be produced in a typical capacitive charging / discharging pulsed power system. These oscillations may be benign, parasitic, destructive or crucial to energy deposition. In some applications, proper damping of oscillations may be critical to proper plasma formation. Because the energy deposited into the plasma is a function of plasma and circuit conditions, the entire plasma / circuit system needs to be considered as a unit To accomplish this, the initiation of plasma is modeled as a time-varying, non-linear element in a circuit analysis model. The predicted spectra are compared to empirical power density spectra including those obtained from vacuum arcs.

Generation of Low-Energy High-Current Electron Beams in Plasma-Anode Electron Guns

NASA Astrophysics Data System (ADS)

Ozur, G. E.; Proskurovsky, D. I.

2018-01-01

This paper is a review of studies on the generation of low-energy high-current electron beams in electron guns with a plasma anode and an explosive-emission cathode. The problems related to the initiation of explosive electron emission under plasma and the formation and transport of high-current electron beams in plasma-filled systems are discussed consecutively. Considerable attention is given to the nonstationary effects that occur in the space charge layers of plasma. Emphasis is also placed on the problem of providing a uniform energy density distribution over the beam cross section, which is of critical importance in using electron beams of this type for surface treatment of materials. Examples of facilities based on low-energy high-current electron beam sources are presented and their applications in materials science and practice are discussed.

Nonlinear effects during interaction of femtosecond doughnut-shaped laser pulses with glasses: overcoming intensity clamping

NASA Astrophysics Data System (ADS)

Bulgakova, Nadezhda M.; Zhukov, Vladimir P.; Fedoruk, Mikhail P.; Rubenchik, Alexander M.

2017-05-01

Interaction of femtosecond laser pulses with a bulk glass (fused silica as an example) has been studied numerically based on non-linear Maxwell's equations supplemented by the hydrodynamics-type equations for free electron plasma for the cases of Gaussian linearly-polarized and doughnut-shaped radially-polarized laser beams. For Gaussian pulses focused inside glass (800 nm wavelength, 45 fs duration, numerical aperture of 0.25), the free electron density in the laser-excited region remains subcritical while the locally absorbed energy density does not exceed 2000 J/cm3 in the range of pulse energies of 200 nJ - 2 μJ. For doughnut-shaped pulses, the initial high-intensity ring of light is shrinking upon focusing. Upon reaching a certain ionization level on its way, the light ring splits into two branches, one of which shrinks swiftly toward the beam axis well before the geometrical focus, leading to generation of supercritical free electron density. The second branch represents the laser light scattered by the electron plasma away from the beam axis. The final laserexcited volume represents a tube of 0.5-1 μm in radius and 10-15 μm long. The local maximum of absorbed energy can be more than 10 times higher compared to the case of Gaussian beams of the same energy. The corresponding pressure levels have been evaluated. It is anticipated that, in the case of doughnut-shaped pulses, the tube-like shape of the deposited energy should lead to implosion of material that can be used for improving the direct writing of high-refractive index optical structures inside glass or for achieving extreme thermodynamic states of matter.

CoNi2 S4 Nanoparticle/Carbon Nanotube Sponge Cathode with Ultrahigh Capacitance for Highly Compressible Asymmetric Supercapacitor.

PubMed

Cao, Xin; He, Jin; Li, Huan; Kang, Liping; He, Xuexia; Sun, Jie; Jiang, Ruibing; Xu, Hua; Lei, Zhibin; Liu, Zong-Huai

2018-05-30

Compared with other flexible energy-storage devices, the design and construction of the compressible energy-storage devices face more difficulty because they must accommodate large strain and shape deformations. In the present work, CoNi 2 S 4 nanoparticles/3D porous carbon nanotube (CNT) sponge cathode with highly compressible property and excellent capacitance is prepared by electrodepositing CoNi 2 S 4 on CNT sponge, in which CoNi 2 S 4 nanoparticles with size among 10-15 nm are uniformly anchored on CNT, causing the cathode to show a high compression property and gives high specific capacitance of 1530 F g -1 . Meanwhile, Fe 2 O 3 /CNT sponge anode with specific capacitance of 460 F g -1 in a prolonged voltage window is also prepared by electrodepositing Fe 2 O 3 nanosheets on CNT sponge. An asymmetric supercapacitor (CoNi 2 S 4 /CNT//Fe 2 O 3 /CNT) is assembled by using CoNi 2 S 4 /CNT sponge as positive electrode and Fe 2 O 3 /CNT sponge as negative electrode in 2 m KOH solution. It exhibits excellent energy density of up to 50 Wh kg -1 at a power density of 847 W kg -1 and excellent cycling stability at high compression. Even at a strain of 85%, about 75% of the initial capacitance is retained after 10 000 consecutive cycles. The CoNi 2 S 4 /CNT//Fe 2 O 3 /CNT device is a promising candidate for flexible energy devices due to its excellent compressibility and high energy density. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Case Study: The Effect of 32 Weeks of Figure-Contest Preparation on a Self-Proclaimed Drug-Free Female's Lean Body and Bone Mass.

PubMed

Petrizzo, John; DiMenna, Frederick J; Martins, Kimberly; Wygand, John; Otto, Robert M

2017-12-01

To achieve the criterion appearance before competing in a physique competition, athletes undergo preparatory regimens involving high-volume intense resistance and aerobic exercise with hypocaloric energy intake. As the popularity of "drug-free" competition increases, more athletes are facing this challenge without the recuperative advantage provided by performance-enhancing drugs. Consequently, the likelihood of loss of lean body and/or bone mass is increased. The purpose of this investigation was to monitor changes in body composition for a 29-year-old self-proclaimed drug-free female figure competitor during a 32-week preparatory regimen comprising high-volume resistance and aerobic exercise with hypocaloric energy intake. We used dual-energy x-ray absorptiometry (DXA) to evaluate regional fat and bone mineral density. During the initial 22 weeks, the subject reduced energy intake and engaged in resistance (4-5 sessions/week) and aerobic (3 sessions/week) training. During the final 10 weeks, the subject increased exercise frequency to 6 (resistance) and 4 (aerobic) sessions/week while ingesting 1130-1380 kcal/day. During this 10-week period, she consumed a high quantity of protein (~55% of energy intake) and nutritional supplements. During the 32 weeks, body mass and fat mass decreased by 12% and 55%, respectively. Conversely, lean body mass increased by 1.5%, an amount that exceeded the coefficient of variation associated with DXA-derived measurement. Total bone mineral density was unchanged throughout. In summary, in preparation for a figure competition, a self-proclaimed drug-free female achieved the low body-fat percentage required for success in competition without losing lean mass or bone density by following a 32-week preparatory exercise and nutritional regimen.

Hierarchical Mn₂O₃ Microspheres In-Situ Coated with Carbon for Supercapacitors with Highly Enhanced Performances.

PubMed

Gong, Feilong; Lu, Shuang; Peng, Lifang; Zhou, Jing; Kong, Jinming; Jia, Dianzeng; Li, Feng

2017-11-23

Porous Mn₂O₃ microspheres have been synthesized and in-situ coated with amorphous carbon to form hierarchical C@Mn₂O₃ microspheres by first producing MnCO₃ microspheres in solvothermal reactions, and then annealing at 500 °C. The self-assembly growth of MnCO₃ microspheres can generate hollow structures inside each of the particles, which can act as micro-reservoirs to store biomass-glycerol for generating amorphous carbon onto the surfaces of Mn₂O₃ nanorods consisting of microspheres. The C@Mn₂O₃ microspheres, prepared at 500 °C, exhibit highly enhanced pseudocapacitive performances when compared to the particles after annealed at 400 °C and 600 °C. Specifically, the C@Mn₂O₃ microspheres prepared at 500 °C show high specific capacitances of 383.87 F g -1 at current density of 0.5 A g -1 , and excellent cycling stability of 90.47% of its initial value after cycling for 5000 times. The asymmetric supercapacitors assembled with C@Mn₂O₃ microspheres after annealed at 500 °C and activated carbon (AC) show an energy density of up to 77.8 Wh kg -1 at power density of 500.00 W kg -1 , and a maximum power density of 20.14 kW kg -1 at energy density of 46.8 Wh kg -1 . We can attribute the enhanced electrochemical performances of the materials to their three-dimensional (3D) hierarchical structure in-situ coated with carbon.

Quantum Mechanical Calculations of Free Energy and Open-Circuit Voltage in Lattice Modeled Organic Photovoltaic Devices

NASA Astrophysics Data System (ADS)

Lankevich, Vladimir; Bittner, Eric

In organic photovoltaic devices (OPVs), initially bound electron and hole can take many different paths to dissociate and become free charge carriers. This leads to the increase in their density of states and therefore increase in the entropy of the system. Accurate description of the energy barriers that charges have to overcome, therefore requires calculation of the free energy. Free energy of an OPV is directly related to its open-circuit voltage and depends only on few important parameters such as average life-time of a charge-transfer state, average energy of the charge-transfer state and energetic disorder in the system. We extend these ideas to the quantum mechanical simulations of the dissociation in the lattice modeled bulk-heterojunction system. We observe average excitonic and free energies that agree with theoretical predictions and the number of experimental results from previous studies. We study effects of the energy disorder and importance of the dimensionality and morphology in materials such as polymer-fullerene blends.

A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage.

PubMed

Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P

2017-02-07

Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg -1 . The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density.

A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage

PubMed Central

Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P.

2017-01-01

Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg−1. The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density. PMID:28169329

Three Essays In and Tests of Theoretical Urban Economics

NASA Astrophysics Data System (ADS)

Zhao, Weihua

This dissertation consists of three essays on urban economics. The three essays are related to urban spatial structure change, energy consumption, greenhouse gas emissions, and housing redevelopment. Chapter 1 answers the question: Does the classic Standard Urban Model still describe the growth of cities? Chapter 2 derives the implications of telework on urban spatial structure, energy consumption, and greenhouse gas emissions. Chapter 3 investigates the long run effects of minimum lot size zoning on neighborhood redevelopment. Chapter 1 identifies a new implication of the classic Standard Urban Model, the "unitary elasticity property (UEP)", which is the sum of the elasticity of central density and the elasticity of land area with respect to population change is approximately equal to unity. When this implication of the SUM is tested, it fits US cities fairly well. Further analysis demonstrates that topographic barriers and age of housing stock are the key factors explaining deviation from the UEP. Chapter 2 develops a numerical urban simulation model with households that are able to telework to investigate the urban form, congestion, energy consumption and greenhouse gas emission implications of telework. Simulation results suggest that by reducing transportation costs, telework causes sprawl, with associated longer commutes and consumption of larger homes, both of which increase energy consumption. Overall effects depend on who captures the gains from telework (workers versus firms), urban land use regulation such as height limits or greenbelts, and the fraction of workers participating in telework. The net effects of telework on energy use and GHG emissions are generally negligible. Chapter 3 applies dynamic programming to investigate the long run effects of minimum lot size zoning on neighborhood redevelopment. With numerical simulation, comparative dynamic results show that minimum lot size zoning can delay initial land conversion and slow down demolition and housing redevelopment. Initially, minimum lot size zoning is not binding. However, as city grows, it becomes binding and can effectively distort housing supply. It can lower both floor area ratio and residential density, and reduce aggregate housing supply. Overall, minimum lot size zoning can stabilize the path of structure/land ratios, housing service levels, structure density, and housing prices. In addition, minimum lot size zoning provides more incentive for developer to maintain the building, slow structure deterioration, and raise the minimum level of housing services provided over the life cycle of development.

Dietary energy source and density modulate the expression of immunologic stress in chicks.

PubMed

Benson, B N; Calvert, C C; Roura, E; Klasing, K C

1993-10-01

To determine how dietary energy level and source influence feed intake, growth and energy partitioning drug immunologic stress, growing chicks were fed diets based on cornstarch and casein with varying energy densities and injected every other day for 6 d with either saline (control), Salmonella typhimurium lipopolysaccharide or heat-killed Staphylococcus aureus. Salmonella typhimurium lipopolysaccharide decreased growth and feed consumption at low energy densities. When the dietary energy density was increased above 13.4 kJ/g using cornstarch, but not corn oil, the growth depressing effect of immunogens was eliminated. Immunologically stressed chicks had a greater proportion of gain in visceral organs and less in the carcass, regardless of the nutrient density of the diet. Immunologic stress decreased intake of metabolizable energy of chicks fed a diet with low nutrient density and increased it for those fed a diet with high nutrient density. Chicks injected with S. typhimurium lipopolysaccharide lost more energy as heat than controls when differences in metabolizable energy intakes were accounted for and modified their preference between two diets differing in metabolizable energy density and fat content as a result of the challenge. Control chicks selected between the 11.7 and 14.2 kJ/g diets to obtain an energy density of 13.2 kJ/g compared with 12.5 kJ/g in the S. typhimurium lipopolysaccharide-challenged chicks. The S. typhimurium lipopolysaccharide-challenged chicks consumed similar amounts of the low energy diet but decreased intake of the high energy diet.

GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment.

PubMed

Ziaei, Vafa; Bredow, Thomas

2016-11-07

In this work, we apply many-body perturbation theory (MBPT) on large critical charge transfer (CT) complexes to assess its performance on the S 1 excitation energy. Since the S 1 energy of CT compounds is heavily dependent on the Hartree-Fock (HF) exchange fraction in the reference density functional, MBPT opens a new way for reliable prediction of CT S 1 energy without explicit knowledge of suitable amount of HF-exchange, in contrary to the time-dependent density functional theory (TD-DFT), where depending on various functionals, large errors can arise. Thus, simply by starting from a (semi-)local reference functional and performing update of Kohn-Sham (KS) energies in the Green's function G while keeping dynamical screened interaction (W(ω)) frozen to the mean-field level, we obtain impressingly highly accurate S 1 energy at slightly higher computational cost in comparison to TD-DFT. However, this energy-only updating mechanism in G fails to work if the initial guess contains a fraction or 100% HF-exchange, and hence considerably inaccurate S 1 energy is predicted. Furthermore, eigenvalue updating both in G and W(ω) overshoots the S 1 energy due to enhanced underscreening of W(ω), independent of the (hybrid-)DFT starting orbitals. A full energy-update on top of HF orbitals even further overestimates the S 1 energy. An additional update of KS wave functions within the Quasi-Particle Self-Consistent GW (QSGW) deteriorates results, in stark contrast to the good results obtained from QSGW for periodic systems. For the sake of transferability, we further present data of small critical non-charge transfer systems, confirming the outcomes of the CT-systems.

Unconventional High Density Vertically Aligned Conducting Polymer

DTIC Science & Technology

2014-08-21

DISTRIBUTION/AVAILABILITY STATEMENT Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Supercapacitors are promising energy storage devices due to their higher...order to meet the demands of a wide range of energy technologies, supercapacitors with higher energy and power densities are required. Although many past...applications. Supercapacitors are promising energy storage devices due to their higher energy density than dielectric capacitors and higher power density and

Production and study of high-beta plasma confined by a superconducting dipole magneta)

NASA Astrophysics Data System (ADS)

Garnier, D. T.; Hansen, A.; Mauel, M. E.; Ortiz, E.; Boxer, A. C.; Ellsworth, J.; Karim, I.; Kesner, J.; Mahar, S.; Roach, A.

2006-05-01

The Levitated Dipole Experiment (LDX) [J. Kesner et al., in Fusion Energy 1998, 1165 (1999)] is a new research facility that is exploring the confinement and stability of plasma created within the dipole field produced by a strong superconducting magnet. Unlike other configurations in which stability depends on curvature and magnetic shear, magnetohydrodynamic stability of a dipole derives from plasma compressibility. Theoretically, the dipole magnetic geometry can stabilize a centrally peaked plasma pressure that exceeds the local magnetic pressure (β>1), and the absence of magnetic shear allows particle and energy confinement to decouple. In initial experiments, long-pulse, quasi-steady-state microwave discharges lasting more than 10s have been produced that are consistent with equilibria having peak beta values of 20%. Detailed measurements have been made of discharge evolution, plasma dynamics and instability, and the roles of gas fueling, microwave power deposition profiles, and plasma boundary shape. In these initial experiments, the high-field superconducting floating coil was supported by three thin supports. The plasma is created by multifrequency electron cyclotron resonance heating at 2.45 and 6.4GHz, and a population of energetic electrons, with mean energies above 50keV, dominates the plasma pressure. Creation of high-pressure, high-beta plasma is possible only when intense hot electron interchange instabilities are stabilized by sufficiently high background plasma density. A dramatic transition from a low-density, low-beta regime to a more quiescent, high-beta regime is observed when the plasma fueling rate and confinement time become sufficiently large.

Isoquinoline alkaloids supplementation on performance and carcass traits of feedlot bulls.

PubMed

Michels, Alex; Neumann, Mikael; Leão, Guilherme Fernando Mattos; Reck, Angela Maria; Bertagnon, Heloisa Godoi; Lopes, Leandro Sâmia; Souza, André Martins; Santos, Leslei Caroline Dos; Stadler Júnior, Edelmir Silvio

2018-03-02

Isoquinoline Alkaloids, derived from one plant (Macleaya cordata) can be an alternative when it is desired to increase performance in feedlot cattle. However, results on these nutritional additives in high energy diets in ruminants are still incipient in literature. In this context, the objective of this study was to evaluate performance and carcass traits of feedlot bulls supplemented with sanguinarine, the main alkaloid presents in Macleaya cordata in high energy density diets. Thirty-two crossbred Angus-Nelore bulls with mean initial body weight of 365 ± 10 kg and mean initial age of 11 ± 3 months were used. The experiment lasted 119 days, with 14 days of adaptation and 105 experimental days. Experimental diet consisted of 85% whole corn grains and 15% protein-vitamin-mineral nucleus, and supplied ad libitum. Treatments consisted of a control diet (CON) and a diet with sanguinarine supplementation (SAN) at a dosage of 4g of product sufficient to provide 6 mg of sanguinarine/ day. Experimental design was completely randomized. Dry matter intake, average daily gain and feed conversion were similar (p> 0.05) between treatments. However, SAN group animals had higher carcass yield (p = 0.045) and were more efficient in the transformation of dry matter consumed in carcass gain (p = 0.046) than CON. In addition, haptoglobin, increased throughout feedlot duration meaning high challenge for the animals due to the diet, but this behavior was similar (p> 0.05) between treatments. Sanguinarine produced positive results in relation to carcass yield, and could be used as an additive for bulls fed diets receiving high energy density diet.

A simulation study on few parameters of Cherenkov photons in extensive air showers of different primaries incident at various zenith angles over a high altitude observation level

NASA Astrophysics Data System (ADS)

Das, G. S.; Hazarika, P.; Goswami, U. D.

2018-07-01

We have studied the distribution patterns of lateral density, arrival time and angular position of Cherenkov photons generated in Extensive Air Showers (EASs) initiated by γ-ray, proton and iron primaries incident with various energies and at various zenith angles. This study is the extension of our earlier work [1] to cover a wide energy range of ground based γ-ray astronomy with a wide range of zenith angles (≤40°) of primary particles, as well as the extension to study the angular distribution patterns of Cherenkov photons in EASs. This type of study is important for distinguishing the γ-ray initiated showers from the hadronic showers in the ground based γ-ray astronomy, where Atmospheric Cherenkov Technique (ACT) is being used. Importantly, such study gives an insight on the nature of γ-ray and hadronic showers in general. In this work, the CORSIKA 6.990 simulation code is used for generation of EASs. Similarly to the case of Ref. [1], this study also revealed that, the lateral density and arrival time distributions of Cherenkov photons vary almost in accordance with the functions: ρch(r) =ρ0e-βr and tch(r) =t0eΓ/rλ respectively by taking different values of the parameters of functions for the type, energy and zenith angle of the primary particle. The distribution of Cherenkov photon's angular positions with respect to shower axis shows distinctive features depending on the primary type, its energy and the zenith angle. As a whole this distribution pattern for the iron primary is noticeably different from those for γ-ray and proton primaries. The value of the angular position at which the maximum number of Cherenkov photons are concentrated, increases with increase in energy of vertically incident primary, but for inclined primary it lies within a small value (≤1°) for almost all energies and primary types. No significant difference in the results obtained by using the high energy hadronic interaction models, viz., QGSJETII and EPOS has been observed.

Shock initiation and detonation properties of bisfluorodinitroethyl formal (FEFO)

NASA Astrophysics Data System (ADS)

Gibson, L. L.; Sheffield, S. A.; Dattelbaum, Dana M.; Stahl, David B.

2012-03-01

FEFO is a liquid explosive with a density of 1.60 g/cm3 and an energy output similar to that of trinitrotoluene (TNT), making it one of the more energetic liquid explosives. Here we describe shock initiation experiments that were conducted using a two-stage gas gun using magnetic gauges to measure the wave profiles during a shock-to-detonation transition. Unreacted Hugoniot data, time-to detonation (overtake) measurements, and reactive wave profiles were obtained from each experiment. FEFO was found to initiate by the homogeneous initiation model, similar to all other liquid explosives we have studied (nitromethane, isopropyl nitrate, hydrogen peroxide). The new unreacted Hugoniot points agree well with other published data. A universal liquid Hugoniot estimation slightly under predicts the measured Hugoniot data. FEFO is very insensitive, with about the same shock sensitivity as the triamino-trinitro-benzene (TATB)-based explosive PBX9502 and cast TNT.

Effects of initial-state nucleon shadowing on the elliptic flow of thermal photons

NASA Astrophysics Data System (ADS)

Dasgupta, Pingal; Chatterjee, Rupa; Singh, Sushant K.; Alam, Jan-e.

2018-03-01

Recently the effect of nucleon shadowing on the Monte Carlo-Glauber initial condition was studied and its role on the centrality dependence of elliptic flow (v2) and fluctuations in initial eccentricity for different colliding nuclei were explored. It was found that the results with shadowing effects are closer to the QCD-based dynamical model as well as to the experimental data. Inspired by this outcome, in this work we study the transverse momentum (pT) spectra and elliptic flow of thermal photons for Au +Au collisions at the BNL Relativisitic Heavy Ion Collider and Pb +Pb collisions at the CERN Large Hadron Collider by incorporating the shadowing effects in deducing the initial energy density profile required to solve the relativistic hydrodynamical equations. We find that the thermal photon spectra remain almost unaltered; however, the elliptic flow of photons is found to be enhanced significantly due to shadowing effects.

Magnetic field formation in the Milky Way like disc galaxies of the Auriga project

NASA Astrophysics Data System (ADS)

Pakmor, Rüdiger; Gómez, Facundo A.; Grand, Robert J. J.; Marinacci, Federico; Simpson, Christine M.; Springel, Volker; Campbell, David J. R.; Frenk, Carlos S.; Guillet, Thomas; Pfrommer, Christoph; White, Simon D. M.

2017-08-01

The magnetic fields observed in the Milky Way and nearby galaxies appear to be in equipartition with the turbulent, thermal and cosmic ray energy densities, and hence are expected to be dynamically important. However, the origin of these strong magnetic fields is still unclear, and most previous attempts to simulate galaxy formation from cosmological initial conditions have ignored them altogether. Here, we analyse the magnetic fields predicted by the simulations of the Auriga Project, a set of 30 high-resolution cosmological zoom simulations of Milky Way like galaxies, carried out with a moving-mesh magnetohydrodynamics code and a detailed galaxy formation physics model. We find that the magnetic fields grow exponentially at early times owing to a small-scale dynamo with an e-folding time of roughly 100 Myr in the centre of haloes until saturation occurs around z = 2-3, when the magnetic energy density reaches about 10 per cent of the turbulent energy density with a typical strength of 10-50 {μ G}. In the galactic centres, the ratio between magnetic and turbulent energies remains nearly constant until z = 0. At larger radii, differential rotation in the discs leads to linear amplification that typically saturates around z = 0.5-0. The final radial and vertical variations of the magnetic field strength can be well described by two joint exponential profiles, and are in good agreement with observational constraints. Overall, the magnetic fields have only little effect on the global evolution of the galaxies as it takes too long to reach equipartition. We also demonstrate that our results are well converged with numerical resolution.

Self-consistent evolution of plasma discharge and electromagnetic fields in a microwave pulse compressor

NASA Astrophysics Data System (ADS)

Shlapakovski, A. S.; Beilin, L.; Hadas, Y.; Schamiloglu, E.; Krasik, Ya. E.

2015-07-01

Nanosecond-scale evolution of plasma and RF electromagnetic fields during the release of energy from a microwave pulse compressor with a plasma interference switch was investigated numerically using the code MAGIC. The plasma was simulated in the scope of the gas conductivity model in MAGIC. The compressor embodied an S-band cavity and H-plane waveguide tee with a shorted side arm filled with pressurized gas. In a simplified approach, the gas discharge was initiated by setting an external ionization rate in a layer crossing the side arm waveguide in the location of the electric field antinode. It was found that with increasing ionization rate, the microwave energy absorbed by the plasma in the first few nanoseconds increases, but the absorption for the whole duration of energy release, on the contrary, decreases. In a hybrid approach modeling laser ignition of the discharge, seed electrons were set around the electric field antinode. In this case, the plasma extends along the field forming a filament and the plasma density increases up to the level at which the electric field within the plasma decreases due to the skin effect. Then, the avalanche rate decreases but the density still rises until the microwave energy release begins and the electric field becomes insufficient to support the avalanche process. The extraction of the microwave pulse limits its own power by terminating the rise of the plasma density and filament length. For efficient extraction, a sufficiently long filament of dense plasma must have sufficient time to be formed.

Influence of Plasma Unsteadiness on the Spectrum and Shape of Microwave Pulses in a Plasma Relativistic Microwave Amplifier

NASA Astrophysics Data System (ADS)

Kartashov, I. N.; Kuzelev, M. V.; Strelkov, P. S.; Tarakanov, V. P.

2018-02-01

Dependence of the shape of a microwave pulse in a plasma relativistic microwave amplifier (PRMA) on the initial plasma electron density in the system is detected experimentally. Depending on the plasma density, fast disruption of amplification, stable operation of the amplifier during the relativistic electron beam (REB) pulse, and its delayed actuation can take place. A reduction in the output signal frequency relative to the input frequency is observed experimentally. The change in the shape of the microwave signal and the reduction in its frequency are explained by a decrease in the plasma density in the system. The dynamics of the plasma density during the REB pulse is determined qualitatively from the experimental data by using the linear theory of a PRMA with a thin-wall hollow electron beam. The processes in a PRMA are analyzed by means of the KARAT particle-in-cell code. It is shown that REB injection is accompanied by an increase in the mean energy of plasma electrons and a significant decrease in their density.

Shock Initiation and Equation of State of Ammonium Nitrate

NASA Astrophysics Data System (ADS)

Robbins, David; Sheffield, Steve; Dattelbaum, Dana; Chellappa, Raja; Velisavljevic, Nenad

2013-06-01

Ammonium nitrate (AN) is a widely used fertilizer and mining explosive commonly found in ammonium nitrate-fuel oil. Neat AN is a non-ideal explosive with measured detonation velocities approaching 4 km/s. Previously, we reported a thermodynamically-complete equation of state for AN based on its maximum density, and showed that near-full density AN did not initiate when subjected to shock input conditions up to 22 GPa. In this work, we extend these initial results, by presenting new Hugoniot data for intermediate density neat AN obtained from gas gun-driven plate impact experiments. AN at densities from 1.8 to 1.5 g/cm3 were impacted into LiF windows using a two-stage light gas gun. Dual VISARs were used to measure the interfacial particle velocity wave profile as a function of time following impact. The new Hugoniot data, in addition to updates to thermodynamic parameters derived from structural analysis and vibrational spectroscopy measurements in high pressure diamond anvil cell experiments, are used to refine the unreacted EOS for AN. Furthermore, shock initiation of neat AN was observed as the initial porosity increased (density decreased). Insights into the relationship(s) between initial density and shock initiation sensitivity are also presented, from evidence of shock initiation in the particle velocity profiles obtained for the lower density AN samples.

Universal Scaling Laws in the Dynamics of a Homogeneous Unitary Bose Gas

NASA Astrophysics Data System (ADS)

Eigen, Christoph; Glidden, Jake A. P.; Lopes, Raphael; Navon, Nir; Hadzibabic, Zoran; Smith, Robert P.

2017-12-01

We study the dynamics of an initially degenerate homogeneous Bose gas after an interaction quench to the unitary regime at a magnetic Feshbach resonance. As the cloud decays and heats, it exhibits a crossover from degenerate- to thermal-gas behavior, both of which are characterized by universal scaling laws linking the particle-loss rate to the total atom number N . In the degenerate and thermal regimes, the per-particle loss rate is ∝N2 /3 and N26 /9, respectively. The crossover occurs at a universal kinetic energy per particle and at a universal time after the quench, in units of energy and time set by the gas density. By slowly sweeping the magnetic field away from the resonance and creating a mixture of atoms and molecules, we also map out the dynamics of correlations in the unitary gas, which display a universal temporal scaling with the gas density, and reach a steady state while the gas is still degenerate.

Parameter scaling toward high-energy density in a quasi-steady flow Z-pinch

NASA Astrophysics Data System (ADS)

Hughes, M. C.; Shumlak, U.; Nelson, B. A.; Golingo, R. P.; Claveau, E. L.; Doty, S. A.; Forbes, E. G.; Kim, B.; Ross, M. P.

2016-10-01

Sheared axial flows are utilized by the ZaP Flow Z-Pinch Experiment to stabilize MHD instabilities. The pinches formed are 50 cm long with radii ranging from 0.3 to 1.0 cm. The plasma is generated in a coaxial acceleration region, similar to a Marshall gun, which provides a steady supply of plasma for approximately 100 us. The power to the plasma is partially decoupled between the acceleration and pinch assembly regions through the use of separate power supplies. Adiabatic scaling of the Bennett relation gives targets for future devices to reach high-energy density conditions or fusion reactors. The applicability of an adiabatic assumption is explored and work is done experimentally to clarify the plasma compression process, which may be more generally polytropic. The device is capable of a much larger parameter space than previous machine iterations, allowing flexibility in the initial conditions of the compression process to preserve stability. This work is supported by DoE FES and NNSA.

Guaiacol hydrodeoxygenation mechanism on Pt(111): insights from density functional theory and linear free energy relations.

PubMed

Lee, Kyungtae; Gu, Geun Ho; Mullen, Charles A; Boateng, Akwasi A; Vlachos, Dionisios G

2015-01-01

Density functional theory is used to study the adsorption of guaiacol and its initial hydrodeoxygenation (HDO) reactions on Pt(111). Previous Brønsted-Evans-Polanyi (BEP) correlations for small open-chain molecules are inadequate in estimating the reaction barriers of phenolic compounds except for the side group (methoxy) carbon-dehydrogenation. New BEP relations are established using a select group of phenolic compounds. These relations are applied to construct a potential-energy surface of guaiacol-HDO to catechol. Analysis shows that catechol is mainly produced via dehydrogenation of the methoxy functional group followed by the CHx (x<3) removal of the functional group and hydrogenation of the ring carbon, in contrast to a hypothesis of a direct demethylation path. Dehydroxylation and demethoxylation are slow, implying that phenol is likely produced from catechol but not through its direct dehydroxylation followed by aromatic carbon-ring hydrogenation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A numerical model for a thermally-regenerative ammonia-based flow battery using for low grade waste heat recovery

NASA Astrophysics Data System (ADS)

Wang, Weiguang; Shu, Gequn; Tian, Hua; Zhu, Xiuping

2018-06-01

A stationary and a transient two-dimensional models, based on the universal conservation laws and coupled with electrochemical reactions, are firstly applied to describe a single thermally-regenerative ammonia-based flow battery (TR-AFB), and emphasis is placed on studying the effects of reactant concentrations, physical properties of the electrolyte, flow rates and geometric parameters of flow channels on the battery performance. The model includes several experimental parameters measured by cyclic voltammetry (CV), chronoamperometry (CA) and Tafel plot. The results indicate that increasing NH3 concentration has a decisive effect on the improvement of power production and is beneficial to use higher Cu2+ concentrations, but the endurance of membrane and self-discharge need to be considered at the same time. It is also suggested that appropriately reducing the initial Cu(NH3)42+ concentration can promote power and energy densities and mitigate cyclical fluctuation. The relation between the energy and power densities is given, and the models are validated by some experimental data.

Cosmic selection rule for the glueball dark matter relic density

NASA Astrophysics Data System (ADS)

Soni, Amarjit; Xiao, Huangyu; Zhang, Yue

2017-10-01

We point out a unique mechanism to produce the relic abundance for the glueball dark matter from a gauged SU (N )d hidden sector which is bridged to the standard model sector through heavy vectorlike quarks colored under gauge interactions from both sides. A necessary ingredient of our assumption is that the vectorlike quarks, produced either thermally or nonthermally, are abundant enough to dominate the universe for some time in the early universe. They later undergo dark color confinement and form unstable vectorlike-quarkonium states which annihilate decay and reheat the visible and dark sectors. The ratio of entropy dumped into two sectors and the final energy budget in the dark glueballs is only determined by low energy parameters, including the intrinsic scale of the dark SU (N )d , Λd, and number of dark colors, Nd, but depend weakly on parameters in the ultraviolet such as the vectorlike quark mass or the initial condition. We call this a cosmic selection rule for the glueball dark matter relic density.

Universal Scaling Laws in the Dynamics of a Homogeneous Unitary Bose Gas.

PubMed

Eigen, Christoph; Glidden, Jake A P; Lopes, Raphael; Navon, Nir; Hadzibabic, Zoran; Smith, Robert P

2017-12-22

We study the dynamics of an initially degenerate homogeneous Bose gas after an interaction quench to the unitary regime at a magnetic Feshbach resonance. As the cloud decays and heats, it exhibits a crossover from degenerate- to thermal-gas behavior, both of which are characterized by universal scaling laws linking the particle-loss rate to the total atom number N. In the degenerate and thermal regimes, the per-particle loss rate is ∝N^{2/3} and N^{26/9}, respectively. The crossover occurs at a universal kinetic energy per particle and at a universal time after the quench, in units of energy and time set by the gas density. By slowly sweeping the magnetic field away from the resonance and creating a mixture of atoms and molecules, we also map out the dynamics of correlations in the unitary gas, which display a universal temporal scaling with the gas density, and reach a steady state while the gas is still degenerate.

NonBoussinesq effects on vorticity and kinetic energy production

NASA Astrophysics Data System (ADS)

Ravichandran, S.; Dixit, Harish; Govindarajan, Rama

2015-11-01

The Boussinesq approximation, commonly employed in weakly compressible or incompressible flows, neglects changes in inertia due to changes in the density. However, the nonBoussinesq terms can lead to a kind of centrifugal instability for small but sharp density variations, and therefore cannot be neglected under such circumstances (see, e.g., DIXIT & GOVINDARAJAN, JFM , 2010, 415). Here, we study the evolution of a light-cored Gaussian vortex and find that the nonBoussinesq terms can lead to significant changes in how vortices evolve. The problem is governed by three nondimensional numbers--Reynolds number (i.e. viscosity), Atwood number, and a ratio of gravitational and centrifugal Froude numbers. We find that the production of kinetic energy and vorticity in a light-cored Gaussian vortex are affected significantly by the nonBoussinesq terms, and varies non-monotonically with the parameters of the problem. In general, these nonBoussinesq effects depend both on the strength of gravity and on the Reynolds number associated with the initial vortex.

Highly Stretchable Waterproof Fiber Asymmetric Supercapacitors in an Integrated Structure.

PubMed

Guo, Kai; Wang, Xianfu; Hu, Lintong; Zhai, Tianyou; Li, Huiqiao; Yu, Neng

2018-06-01

Fiber supercapacitors have attracted tremendous attention as promising power source candidates for the next generation of wearable electronics, which are flexible, stretchable, and washable. Although asymmetric fiber supercapacitors with a high energy density have been achieved, their stretchability is no more than 200%, and they still face mechanical instability and an unreliable waterproof structure. This work develops a highly integrated structure for a waterproof, highly stretchable, and asymmetric fiber-shaped supercapacitor, which is assembled by integrating a helix-shaped asymmetric fiber supercapacitor into a bifunctional polymer. The asymmetric fiber supercapacitor demonstrates a working voltage of 1.6 V, a high energy density of 2.86 mW h/cm 3 , has unchanged capacitance after being immersed in water for 50 h, and retains 95% of its initial capacitance after 3000 cycles of stretching-releasing at a maximum strain of 400%. The extraordinary waterproof capability, the large stretching strain, and excellent stretching stability are attributed to the highly integrated structure design, which can also simplify the assembly process of stretchable, waterproof fiber supercapacitors.

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Silicon/copper dome-patterned electrodes for high-performance hybrid supercapacitors

PubMed Central

Liu, Xuyan; Jung, Hun-Gi; Kim, Sang-Ok; Choi, Ho-Suk; Lee, Sangwha; Moon, Jun Hyuk; Lee, Joong Kee

2013-01-01

This study proposes a method for manufacturing high-performance electrode materials in which controlling the shape of the current collector and electrode material for a Li-ion capacitor (LIC). In particular, the proposed LIC manufacturing method maintains the high voltage of a cell by using a microdome-patterned electrode material, allowing for reversible reactions between the Li-ion and the active material for an extended period of time. As a result, the LICs exhibit initial capacities of approximately 42 F g−1, even at 60 A g−1. The LICs also exhibit good cycle performance up to approximately 15,000 cycles. In addition, these advancements allow for a considerably higher energy density than other existing capacitor systems. The energy density of the proposed LICs is approximately nine, two, and 1.5 times higher than those of the electrochemical double layer capacitor (EDLC), AC/LiMn2O4 hybrid capacitor, and intrinsic Si/AC LIC, respectively. PMID:24292725

Layer Splitting in a Complex Plasma

NASA Astrophysics Data System (ADS)

Smith, Bernard; Hyde, Truell; Matthews, Lorin; Johnson, Megan; Cook, Mike; Schmoke, Jimmy

2009-11-01

Dust particle clouds are found in most plasma processing environments and many astrophysical environments. Dust particles suspended within such plasmas often acquire an electric charge from collisions with free electrons in the plasma. Depending upon the ratio of interparticle potential energy to average kinetic energy, charged dust particles can form a gaseous, liquid or crystalline structure with short to longer range ordering. An interesting facet of complex plasma behavior is that particle layers appear to split as the DC bias is increased. This splitting of layers points to a phase transition differing from the normal phase transitions found in two-dimensional solids. In 1993, Dubin noted that as the charged particle density of an initially two-dimensional Coulomb crystal increases the system's layers split at specific charge densities. This work modeled ions in a Paul or Penning trap, but may be applicable to dusty plasma systems as well. This work will discuss this possibility along with splitting observed in the CASPER GEC rf Reference Cell at specific pressures and powers.

Progress Toward Kelvin-Helmholtz instabilities in a High-Energy-Density Plasma on the Nike Laser

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Aglitskiy, Y.; Dwarkadas, V. V.; Gillespie, R. S.; Grosskopf, M. J.; Huntington, C. M.; Gjeci, N.; Campbell, D. A.; Marion, D. C.

2007-11-01

In the realm of high-energy-density (HED) plasmas, there exist three primary hydrodynamic instabilities: Rayleigh-Taylor (RT), Richtmyer-Meshkov (RM), and Kelvin-Helmholtz (KH). Although the RT and the RM instabilities have been observed in the laboratory, no experiment to our knowledge has cleanly diagnosed the KH instability. While the RT instability results from the acceleration of a more dense fluid into a less dense fluid and the RM instability is due to shock deposited vorticity onto an interface, the KH instability is driven by a lifting force generated by velocity shear at a perturbed fluid interface. Understanding the KH instability mechanism in HED plasmas will provide essential insight into detailed RT-spike development, mass stripping, many astrophysical processes, as well as laying the groundwork for future transition to turbulence experiments. We present 2D simulations and data from our initial attempts to create a pure KH system using the Nike laser at the Naval Research Laboratory.

Well-posedness of the Einstein-Euler system in asymptotically flat spacetimes: The constraint equations

NASA Astrophysics Data System (ADS)

Brauer, Uwe; Karp, Lavi

This paper deals with the construction of initial data for the coupled Einstein-Euler system. We consider the condition where the energy density might vanish or tend to zero at infinity, and where the pressure is a fractional power of the energy density. In order to achieve our goals we use a type of weighted Sobolev space of fractional order. The common Lichnerowicz-York scaling method (Choquet-Bruhat and York, 1980 [9]; Cantor, 1979 [7]) for solving the constraint equations cannot be applied here directly. The basic problem is that the matter sources are scaled conformally and the fluid variables have to be recovered from the conformally transformed matter sources. This problem has been addressed, although in a different context, by Dain and Nagy (2002) [11]. We show that if the matter variables are restricted to a certain region, then the Einstein constraint equations have a unique solution in the weighted Sobolev spaces of fractional order. The regularity depends upon the fractional power of the equation of state.

Gedanken densities and exact constraints in density functional theory.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Sun, Jianwei; Burke, Kieron

2014-05-14

Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is not an approximation to it. We further derive a strongly and optimally tightened bound on the exchange enhancement factor of a two-electron density, which is satisfied by the local density approximation but is violated by all published GGA's or meta-GGA's. Finally, some consequences of the non-uniform density-scaling behavior for the asymptotics of the exchange enhancement factor of a GGA or meta-GGA are given.

Tobacco Retail Outlet Density and Young Adult Tobacco Initiation

PubMed Central

Pearson, Jennifer L.; Anesetti-Rothermel, Andrew; Xiao, Haijun; Kirchner, Thomas R.; Vallone, Donna

2016-01-01

Background: A growing body of evidence indicates that the density of tobacco retail outlets around the home residence may influence tobacco use among youth and adults. The purpose of this study was to examine the impact of neighborhood tobacco retail outlet density on young adult initiation of different tobacco product types. Methods: Cross-sectional data from a 2013 nationally representative sample of young adults aged 18–34 was examined in relation to a 2012 geocoded listing of all outlets likely to sell tobacco in the United States. Separate multivariable logistic regression analyses examined associations between neighborhood outlet density and past 6 months first use of cigarettes, non-cigarette combustible products, and noncombustible products among adults aged 18–24 and 25–34. Results: Outlet density was significantly associated with recent initiation of cigarettes and other combustibles, but this impact varied for younger and older groups. Increased density was significantly associated with a higher likelihood of initiating cigarette use among adults aged 25–34 (OR = 3.75, 95% CI = 1.18, 11.90), and of initiating non-cigarette combustible use among 18–24 year olds (OR = 3.16, 95% CI = 1.03, 9.74). There was no impact of outlet density on recent noncombustible product initiation among either group. Conclusion: This study is the first to examine the impact of tobacco outlet density on young adult initiation of cigarettes and other tobacco products. Findings demonstrate that residential neighborhood outlet density is associated with recent initiation of combustible products and this effect varies by product type and age. The tobacco outlet environment may be a critical factor in promoting young adult tobacco use initiation. PMID:25666816

On the Acceleration and Transport of Electrons Generated by Intense Laser-Plasma Interactions at Sharp Interfaces

NASA Astrophysics Data System (ADS)

May, Joshua Joseph

The continued development of the chirped pulse amplification technique has allowed for the development of lasers with powers of in excess of 10 15W, for pulse lengths with durations of between .01 and 10 picoseconds, and which can be focused to energy densities greater than 100 giga-atmospheres. When such lasers are focused onto material targets, the possibility of creating particle beams with energy fluxes of comparable parameters arises. Such interactions have a number of theorized applications. For instance, in the Fast Ignition concept for Inertial Confinement Fusion [1], a high-intensity laser efficiently transfers its energy into an electron beam with an appropriate spectra which is then transported into a compressed target and initiate a fusion reaction. Another possible use is the so called Radiation Pressure Acceleration mechanism, in which a high-intensity, circularly polarized laser is used to create a mono-energetic ion beam which could then be used for medical imaging and treatment, among other applications. For this latter application, it is important that the laser energy is transferred to the ions and not to the electrons. However the physics of such high energy-density laser-matter interactions is highly kinetic and non-linear, and presently not fully understood. In this dissertation, we use the Particle-in-Cell code OSIRIS [2, 3] to explore the generation and transport of relativistic particle beams created by high intensity lasers focused onto solid density matter at normal incidence. To explore the generation of relativistic electrons by such interactions, we use primarily one-dimensional (1D) and two-dimensional (2D), and a few three-dimensional simulations (3D). We initially examine the idealized case of normal incidence of relatively short, plane-wave lasers on flat, sharp interfaces. We find that in 1D the results are highly dependent on the initial temperature of the plasma, with significant absorption into relativistic electrons only possible when the temperature is high in the direction parallel to the electric field of the laser. In multi-dimensions, absorption into relativistic electrons arises independent of the initial temperature for both fixed and mobile ions, although the absorption is higher for mobile ions. In most cases however, absorption remains at 100s of percent, and as such a standing wave structure from the incoming and reflected wave is setup in front of the plasma surface. The peak momentum of the accelerated electrons is found to be 2 a0mec, where a 0 = eA0/mec 2 is the normalized vector potential of the laser in vacuum, e is the electron charge, me is the electron mass, and c is the speed of light. We consider cases for which a0 > 1. We therefore call this the 2 a0 acceleration process. Using particle tracking, we identify the detailed physics behind the 2a0 process and find it is related to the standing wave structure of the fields. We observe that the particles which gain energy do so by interacting with the laser electric field within a quarter wavelength of the surface where it is at an anti-node (it is a node at the surface). We find that only particles with high initial momentum - in particular high transverse momentum - are able to navigate through the laser magnetic field as its magnitude decreases in time each half laser cycle (it is an anti-node at the surface) to penetrate a quarter wavelength into the vacuum where the laser electric field is large. For a circularly polarized laser the magnetic field amplitude never decreases at the surface, instead its direction simply rotates. This prevents electrons from leaving the plasma and they therefore cannot gain energy from the electric field. (Abstract shortened by ProQuest.).

Dietary Energy Density in the Australian Adult Population from National Nutrition Surveys 1995 to 2012.

PubMed

Grech, Amanda Lee; Rangan, Anna; Allman-Farinelli, Margaret

2017-12-01

It is hypothesized that the observed proliferation of energy-dense, nutrient-poor foods globally is an important contributing factor to the development of the obesity epidemic. However, evidence that the population's dietary energy density has increased is sparse. The World Cancer Research Fund recommends that dietary energy density be <1.25 kcal/g to prevent weight gain. The aim of this research was to determine whether the dietary energy density of the Australian population has changed between 1995 and 2012. A secondary analysis of two cross-sectional Australian national nutrition surveys from 1995 and 2011/2012 was conducted. Participants of the surveys included adults aged 18 years and older (1995 n=10,986 and 2011/2012 n=9,435) completing 24-hour dietary recalls, including a second recall for a subset of the population (10.4% in 1995 and 64.6% in 2011/2012). Outcome measures included the change in dietary energy density (calculated as energy/weight of food [kcal/g] for food only) between surveys. The National Cancer Institute method for "estimating ratios of two dietary components that are consumed nearly every day" was used to determine the usual distribution and the percentage of participants reporting energy density <1.25 kcal/g. The mean (standard deviation) dietary energy density was 1.59 (0.26) kcal/g and 1.64 (0.32) kcal/g (P<0.0001) in 1995 and 2011/2012, respectively, with 13% and 5% (P<0.0001) of the population meeting dietary energy-density recommendations. For those aged 70 years and older, the percentage with energy density <1.25 kcal/g decreased from 22% to 6% (P<0.0001) for men and from 33% to 11% (P<0.0001) for women in 1995 and 2011/2012, respectively. Among those aged 18 to 29 years, 1% of men in both surveys (P=0.8) and 4% of women in 1995 and 2% in 2011/2012 (P=0.01) reported energy density <1.25 kcal/g. Dietary energy density has increased between the two surveys and few people consumed low energy-dense diets in line with recommendations. The change was largely due to increased energy density of older adult's diets, while young adults had high dietary energy density at both time points. These data suggest efforts now focus on the evaluation of the role of modifying energy density of the diet to reduce the risk of weight gain in adults. Copyright © 2017 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

Multiconfiguration Pair-Density Functional Theory.

PubMed

Li Manni, Giovanni; Carlson, Rebecca K; Luo, Sijie; Ma, Dongxia; Olsen, Jeppe; Truhlar, Donald G; Gagliardi, Laura

2014-09-09

We present a new theoretical framework, called Multiconfiguration Pair-Density Functional Theory (MC-PDFT), which combines multiconfigurational wave functions with a generalization of density functional theory (DFT). A multiconfigurational self-consistent-field (MCSCF) wave function with correct spin and space symmetry is used to compute the total electronic density, its gradient, the on-top pair density, and the kinetic and Coulomb contributions to the total electronic energy. We then use a functional of the total density, its gradient, and the on-top pair density to calculate the remaining part of the energy, which we call the on-top-density-functional energy in contrast to the exchange-correlation energy of Kohn-Sham DFT. Because the on-top pair density is an element of the two-particle density matrix, this goes beyond the Hohenberg-Kohn theorem that refers only to the one-particle density. To illustrate the theory, we obtain first approximations to the required new type of density functionals by translating conventional density functionals of the spin densities using a simple prescription, and we perform post-SCF density functional calculations using the total density, density gradient, and on-top pair density from the MCSCF calculations. Double counting of dynamic correlation or exchange does not occur because the MCSCF energy is not used. The theory is illustrated by applications to the bond energies and potential energy curves of H2, N2, F2, CaO, Cr2, and NiCl and the electronic excitation energies of Be, C, N, N(+), O, O(+), Sc(+), Mn, Co, Mo, Ru, N2, HCHO, C4H6, c-C5H6, and pyrazine. The method presented has a computational cost and scaling similar to MCSCF, but a quantitative accuracy, even with the present first approximations to the new types of density functionals, that is comparable to much more expensive multireference perturbation theory methods.

Lower mass limit of an evolving interstellar cloud and chemistry in an evolving oscillatory cloud

NASA Technical Reports Server (NTRS)

Tarafdar, S. P.

1986-01-01

Simultaneous solution of the equation of motion, equation of state and energy equation including heating and cooling processes for interstellar medium gives for a collapsing cloud a lower mass limit which is significantly smaller than the Jeans mass for the same initial density. The clouds with higher mass than this limiting mass collapse whereas clouds with smaller than critical mass pass through a maximum central density giving apparently similar clouds (i.e., same Av, size and central density) at two different phases of its evolution (i.e., with different life time). Preliminary results of chemistry in such an evolving oscillatory cloud show significant difference in abundances of some of the molecules in two physically similar clouds with different life times. The problems of depletion and short life time of evolving clouds appear to be less severe in such an oscillatory cloud.

Ultrafast semi-metallic layer formation in detonating nitromethane

NASA Astrophysics Data System (ADS)

Reed, Evan; Manaa, M. Riad; Fried, Laurence; Glaesemann, Kurt; Joannopoulos, John

2008-03-01

We present the first quantum molecular dynamics simulations behind a detonation front (up to 0.2 ns) of the explosive nitromethane (CH3NO2) represented by the density-functional-based tight-binding method (DFTB). This simulation is enabled by our recently developed multi-scale shock wave molecular dynamics technique (MSST) that opens the door to longer duration simulations by several orders of magnitude. The electronic density of states around the Fermi energy initially increases as metastable material states are produced but then later decreases, perhaps unexpectedly. These changes indicate that the shock front is characterized by an increase in optical thickness and conductivity followed by a reduction around 100 picoseconds behind the front. We find that a significant population of intermediate metastable molecules are charged and charged species play an important role in the density of states evolution. The transient transformation to a semi-metallic state can be understood within the Anderson picture of metallization.

Tantalum-tungsten oxide thermite composites prepared by sol-gel synthesis and spark plasma sintering

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

Kuntz, Joshua D.; Gash, Alexander E.; Cervantes, Octavio G.

2010-08-15

Energetic composite powders consisting of sol-gel derived nanostructured tungsten oxide were produced with various amounts of micrometer-scale tantalum fuel metal. Such energetic composite powders were ignition-tested and the results show that the powders are not sensitive to friction, spark and/or impact ignition. Initial consolidation experiments, using the High-Pressure Spark Plasma Sintering (HPSPS) technique, on the sol-gel derived nanostructured tungsten oxide produced samples with higher relative density than can be achieved with commercially available tungsten oxide. The sol-gel derived nanostructured tungsten oxide with immobilized tantalum fuel metal (Ta-WO{sub 3}) energetic composite was consolidated to a density of 9.17 g cm{sup -3}more » or 93% relative density. In addition, those samples were consolidated without significant pre-reaction of the constituents, thus retaining their stored chemical energy. (author)« less

Tantalum-Tungsten Oxide Thermite Composite Prepared by Sol-Gel Synthesis and Spark Plasma Sintering

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

Cervantes, O; Kuntz, J; Gash, A

2009-02-13

Energetic composite powders consisting of sol-gel derived nanostructured tungsten oxide were produced with various amounts of micrometer-scale tantalum fuel metal. Such energetic composite powders were ignition tested and results show that the powders are not sensitive to friction, spark and/or impact ignition. Initial consolidation experiments, using the High Pressure Spark Plasma Sintering (HPSPS) technique, on the sol-gel derived nanostructured tungsten oxide produced samples with higher relative density than can be achieved with commercially available tungsten oxide. The sol-gel derived nanostructured tungsten oxide with immobilized tantalum fuel metal (Ta - WO{sub 3}) energetic composite was consolidated to a density of 9.17more » g.cm{sup -3} or 93% relative density. In addition those parts were consolidated without significant pre-reaction of the constituents, thus the sample retained its stored chemical energy.« less

SU-G-TeP2-11: Initial Evaluation of a Novel Split-Filter Dual-Energy CT for Use in Radiation Oncology

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

Miller, J; Huang, J; Szczykutowicz, T

2016-06-15

Purpose: To perform an initial evaluation of a novel split-filter dual-energy CT (DECT) system with the goal of understanding the clinical utility and limitations of the system for radiation therapy. Methods: Several phantoms were imaged using the split-filter DECT technique on the Siemens Edge CT scanner using a range of clinically-relevant doses. The optimum-contrast reconstruction, the mixed reconstruction, and the monoenergetic reconstructions (ranging from 40 keV to 190 keV) were evaluated. Each image was analyzed for CT number accuracy, uniformity, noise, low-contrast visibility (LCV), spatial resolution and geometric distortion. For comparison purposes, all parameters were evaluated on 120 kVp single-energymore » CT (SECT) scans used for treatment planning, as well as, a sequential-scan DECT technique for corresponding doses. Results: For all DECT reconstructions no observable geometric distortion was found. Both the optimal-contrast and mixed images demonstrated slight improvements in LCV and noise when compared to the SECT, and slight reductions in CT number accuracy and spatial resolution. The CT numbers trended as expected for the monoenergetic reconstructions, with CT number accuracy within 50 HU for materials of density <2 g/cm3. Spatial resolution increased with energy, and for monoenergetic reconstructions >70 keV the spatial resolution exceeded that of the SECT. The noise in the monoenergetic reconstructions increased with decreasing energy. Thus, the image uniformity, signal-to-noise ratio and LCV were diminished at lower energies (70 keV). Applying iterative reconstruction techniques to the low-energy images reduced noise and improved LCV. The signal-to-noise ratio was stable for energies >100 keV. Conclusion: The initial commissioning of the novel split-filter DECT technology demonstrated favorable results for clinical implementation. The mixed reconstruction showed potential as a replacement for the treatment planning SECT. The image parameters for the monoenergetic reconstructions varied appropriately with energy. This work provides an initial understanding of the limitations and potential applications for monoenergetic imaging.« less

Summary and Evaluation of the Strategic Defense Initiative Space Power Architecture Study

DTIC Science & Technology

1989-03-01

coolant as fuel) and operates at high efficiency . It was also lower in vibration and dynamic effects than the combustion turbine. The fuel cell ...achievable with development. The main question with fuel cells is — can both high power density and high efficiency be achieved simultaneously? In...energy in a flywheel, fuel cell (power an electrolyzer) or battery. High power for weapon burst is obtained by discharging the storage device over a

Impact of inward turbulence spreading on energy loss of edge-localized modes

DOE PAGES

Ma, C. H.; Xu, X. Q.; Xi, P. W.; ...

2015-05-18

Nonlinear two-fluid and gyrofluid simulations show that an edge localized modes(ELM) crash has two phases: fast initial crash of ion temperature perturbation on the Alfvén time scale and slow turbulence spreading. The turbulencetransport phase is a slow encroachment of electron temperature perturbation due to the ELM event into pedestal region. Because of the inward turbulence spreading effect, the energy loss of an ELM decreases when density pedestal height increases. The Landau resonance yields the different cross phase-shift of ions and electrons. A 3 + 1 gyro-Landau-fluid model is implemented in BOUT++ framework. As a result, the gyrofluid simulations show thatmore » the kinetic effects have stabilizing effects on the ideal ballooning mode and the energy loss increases with the pedestal height.« less

The Southern Argentina Agile Meteor Radar Orbital System (SAAMER-OS): An Initial Sporadic Meteoroid Orbital Survey in the Southern Sky

NASA Technical Reports Server (NTRS)

Janches, D.; Close, S.; Hormaechea, J. L.; Swarnalingam, N.; Murphy, A.; O'Connor, D.; Vandepeer, B.; Fuller, B.; Fritts, D. C.; Brunini, C.

2015-01-01

We present an initial survey in the southern sky of the sporadic meteoroid orbital environment obtained with the Southern Argentina Agile MEteor Radar (SAAMER) Orbital System (OS), in which over three-quarters of a million orbits of dust particles were determined from 2012 January through 2015 April. SAAMER-OS is located at the southernmost tip of Argentina and is currently the only operational radar with orbit determination capability providing continuous observations of the southern hemisphere. Distributions of the observed meteoroid speed, radiant, and heliocentric orbital parameters are presented, as well as those corrected by the observational biases associated with the SAAMER-OS operating parameters. The results are compared with those reported by three previous surveys performed with the Harvard Radio Meteor Project, the Advanced Meteor Orbit Radar, and the Canadian Meteor Orbit Radar, and they are in agreement with these previous studies. Weighted distributions for meteoroids above the thresholds for meteor trail electron line density, meteoroid mass, and meteoroid kinetic energy are also considered. Finally, the minimum line density and kinetic energy weighting factors are found to be very suitable for meteoroid applications. The outcomes of this work show that, given SAAMERs location, the system is ideal for providing crucial data to continuously study the South Toroidal and South Apex sporadic meteoroid apparent sources.

Why Are Some Galaxies Not Barred?

NASA Astrophysics Data System (ADS)

Saha, Kanak; Elmegreen, Bruce

2018-05-01

Although more than two-thirds of star-forming disk galaxies in the local universe are barred, some galaxies remain unbarred, occupying the upper half of the Hubble tuning fork diagram. Numerical simulations almost always produce bars spontaneously, so it remains a challenge to understand how galaxies sometimes prevent bars from forming. Using a set of collisionless simulations, we first reproduce the common result that cold stellar disks surrounding a classical bulge become strongly unstable to non-axisymmetric perturbations, leading to the rapid formation of spiral structure and bars. However, our analyses show that galaxy models with compact classical bulges (whose average density is greater than or comparable to the disk density calculated within bulge half-mass radii) are able to prevent bar formation for at least 4 Gyr even when the stellar disk is maximal and having low Toomre Q. Such bar prevention is the result of several factors such as (a) a small inner Lindblad resonance with a high angular rate, which contaminates an incipient bar with x 2 orbits, and (b) rapid loss of angular momentum accompanied by a rapid heating in the center from initially strong bar and spiral instabilities in a low-Q disk; in other words, a rapid initial rise to a value larger than ∼5 of the ratio of the random energy to the rotational energy in the central region of the galaxy.

THE SOUTHERN ARGENTINA AGILE METEOR RADAR ORBITAL SYSTEM (SAAMER-OS): AN INITIAL SPORADIC METEOROID ORBITAL SURVEY IN THE SOUTHERN SKY

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

Janches, D.; Swarnalingam, N.; Close, S.

2015-08-10

We present an initial survey in the southern sky of the sporadic meteoroid orbital environment obtained with the Southern Argentina Agile MEteor Radar (SAAMER) Orbital System (OS), in which over three-quarters of a million orbits of dust particles were determined from 2012 January through 2015 April. SAAMER-OS is located at the southernmost tip of Argentina and is currently the only operational radar with orbit determination capability providing continuous observations of the southern hemisphere. Distributions of the observed meteoroid speed, radiant, and heliocentric orbital parameters are presented, as well as those corrected by the observational biases associated with the SAAMER-OS operatingmore » parameters. The results are compared with those reported by three previous surveys performed with the Harvard Radio Meteor Project, the Advanced Meteor Orbit Radar, and the Canadian Meteor Orbit Radar, and they are in agreement with these previous studies. Weighted distributions for meteoroids above the thresholds for meteor trail electron line density, meteoroid mass, and meteoroid kinetic energy are also considered. Finally, the minimum line density and kinetic energy weighting factors are found to be very suitable for meteroid applications. The outcomes of this work show that, given SAAMER’s location, the system is ideal for providing crucial data to continuously study the South Toroidal and South Apex sporadic meteoroid apparent sources.« less

Method of achieving the controlled release of thermonuclear energy

DOEpatents

Brueckner, Keith A.

1986-01-01

A method of achieving the controlled release of thermonuclear energy by illuminating a minute, solid density, hollow shell of a mixture of material such as deuterium and tritium with a high intensity, uniformly converging laser wave to effect an extremely rapid build-up of energy in inwardly traveling shock waves to implode the shell creating thermonuclear conditions causing a reaction of deuterons and tritons and a resultant high energy thermonuclear burn. Utilizing the resulting energy as a thermal source and to breed tritium or plutonium. The invention also contemplates a laser source wherein the flux level is increased with time to reduce the initial shock heating of fuel and provide maximum compression after implosion; and, in addition, computations and an equation are provided to enable the selection of a design having a high degree of stability and a dependable fusion performance by establishing a proper relationship between the laser energy input and the size and character of the selected material for the fusion capsule.

Kinetic mechanism for reversible structural transition in MoTe2 induced by excess charge carriers

NASA Astrophysics Data System (ADS)

Rubel, O.

2018-06-01

Kinetic of a reversible structural transition between insulating (2H) and metallic (1T ') phases in a monolayer MoTe2 due to an electrostatic doping is studied using first-principle calculations. The driving force for the structural transition is the energy gained by transferring excess electrons from the bottom of the conduction band to lower energy gapless states in the metallic phase as have been noticed in earlier studies. The corresponding structural transformation involves dissociation of Mo-Te bonds (one per formula unit), which results in a kinetic energy barrier of 0.83 eV. The transformation involves a consecutive movement of atoms similar to a domain wall motion. The presence of excess charge carriers modifies not only the total energy of the initial and final states, but also lowers an energy of the transition state. An experimentally observed hysteresis in the switching process can be attributed to changes in the kinetic energy barrier due to its dependence on the excess carrier density.

Change in dietary energy density after implementation of the Texas Public School Nutrition Policy.

PubMed

Mendoza, Jason A; Watson, Kathy; Cullen, Karen Weber

2010-03-01

Consumption of energy-dense foods has been associated with rising obesity rates and the metabolic syndrome. Reducing dietary energy density is an important strategy to address obesity, but few studies have examined the effect of nutrition policies on children's energy density. The study's objective was to assess the impact of the Texas Public School Nutrition Policy on children's energy density by using a pre- and post-policy evaluation. Analysis of variance/covariance and nonparametric tests compared energy density after the Texas policy change to intakes at baseline. Two years of lunch food records were collected from middle school students in Southeast Texas at three public middle schools: baseline (2001-2002) and 1 year after implementation of the Texas Policy (2005-2006). Students recorded the amount and source of foods consumed. The Texas Public School Nutrition Policy was designed to promote a healthy school environment by restricting portion sizes of high-fat and high-sugar snacks and sweetened beverages, fat content of foods, and serving of high-fat vegetables like french fries. Energy density (kcal/g): energy density-1 was the energy of foods only (no beverages) divided by the gram weight and has been previously associated with obesity and insulin resistance; energy density-2 included all food and beverages to give a complete assessment of all sources of calories. Following implementation of the Texas policy, students' energy density-1 significantly decreased from 2.80+/-1.08 kcal/g to 2.17+/-0.78 kcal/g (P<0.0001). Similarly, energy density-2 significantly decreased from 1.38+/-0.76 kcal/g to 1.29+/-0.53 kcal/g (P<0.0001). In conclusion, the Texas Public School Nutrition Policy was associated with desirable reductions in energy density, which suggests improved nutrient intake as a result of student school lunch consumption. Copyright 2010 American Dietetic Association. Published by Elsevier Inc. All rights reserved.

Radio Observations of the Tidal Disruption Event XMMSL1 J0740-85

NASA Astrophysics Data System (ADS)

Alexander, K. D.; Wieringa, M. H.; Berger, E.; Saxton, R. D.; Komossa, S.

2017-03-01

We present radio observations of the tidal disruption event candidate (TDE) XMMSL1 J0740-85 spanning 592 to 875 days post X-ray discovery. We detect radio emission that fades from an initial peak flux density at 1.6 GHz of 1.19 ± 0.06 mJy to 0.65 ± 0.06 mJy, suggesting an association with the TDE. This makes XMMSL1 J0740-85 at d = 75 Mpc the nearest TDE with detected radio emission to date and only the fifth TDE with radio emission overall. The observed radio luminosity rules out a powerful relativistic jet like that seen in the relativistic TDE Swift J1644+57. Instead, we infer from an equipartition analysis that the radio emission most likely arises from a non-relativistic outflow similar to that seen in the nearby TDE ASASSN-14li, with a velocity of about 104 km s-1 and a kinetic energy of about 1048 erg, expanding into a medium with a density of about 102 cm-3. Alternatively, the radio emission could arise from a weak initially relativistic but decelerated jet with an energy of ˜ 2× {10}50 erg, or (for an extreme disruption geometry) from the unbound debris. The radio data for XMMSL1 J0740-85 continues to support the previous suggestion of a bimodal distribution of common non-relativistic isotropic outflows and rare relativistic jets in TDEs (in analogy with the relation between Type Ib/c supernovae and long-duration gamma-ray bursts). The radio data also provide a new measurement of the circumnuclear density on a sub-parsec scale around an extragalactic supermassive black hole.

Shape-Dependent Electrocatalytic Reduction of CO2 to CO on Triangular Silver Nanoplates.

PubMed

Liu, Subiao; Tao, Hongbiao; Zeng, Li; Liu, Qi; Xu, Zhenghe; Liu, Qingxia; Luo, Jing-Li

2017-02-15

Electrochemical reduction of CO 2 (CO 2 RR) provides great potential for intermittent renewable energy storage. This study demonstrates a predominant shape-dependent electrocatalytic reduction of CO 2 to CO on triangular silver nanoplates (Tri-Ag-NPs) in 0.1 M KHCO 3 . Compared with similarly sized Ag nanoparticles (SS-Ag-NPs) and bulk Ag, Tri-Ag-NPs exhibited an enhanced current density and significantly improved Faradaic efficiency (96.8%) and energy efficiency (61.7%), together with a considerable durability (7 days). Additionally, CO starts to be observed at an ultralow overpotential of 96 mV, further confirming the superiority of Tri-Ag-NPs as a catalyst for CO 2 RR toward CO formation. Density functional theory calculations reveal that the significantly enhanced electrocatalytic activity and selectivity at lowered overpotential originate from the shape-controlled structure. This not only provides the optimum edge-to-corner ratio but also dominates at the facet of Ag(100) where it requires lower energy to initiate the rate-determining step. This study demonstrates a promising approach to tune electrocatalytic activity and selectivity of metal catalysts for CO 2 RR by creating optimal facet and edge site through shape-control synthesis.

Power production and wastewater treatment simultaneously by dual-chamber microbial fuel cell technique.

PubMed

Izadi, Paniz; Rahimnejad, Mostafa; Ghoreyshi, Ali

2015-01-01

Microbial fuel cell (MFC) is a novel technology that is able to convert the chemical energy of organic and inorganic substrates to electrical energy directly. The use of fossil fuels and recent energy crisis bring increasing attention to this technology. Besides electricity generation, wastewater treatment is another application of MFCs. Sulfide is a hazardous ion that is common in wastes. In this article, dual-chamber MFC was fabricated and a mixed culture of microorganisms was used as an active biocatalyst in an anaerobic anodic chamber to convert substrate to electricity. The obtained experimental results indicate that this MFC can successfully alter sulfide to elementary sulfur and power generation. The initial concentration of sulfide in wastewater was 1.5 g L(-1) , and it was removed after 10 days of MFC operation. Maximum produced power and current density were 48.68 mW⋅m(-2) and 231.47 mA⋅m(-2) , respectively. Besides, the influences of a biocathode were investigated and accordingly the data obtained for power and current density were increased to 372.27 mW⋅m(-2) and 1,665.15 mA⋅m(-2) , respectively. © 2015 International Union of Biochemistry and Molecular Biology, Inc.

Buoyancy driven mixing of miscible fluids by volumetric energy deposition of microwaves.

PubMed

Wachtor, Adam J; Mocko, Veronika; Williams, Darrick J; Goertz, Matthew P; Jebrail, Farzaneh F

2013-01-01

An experiment that seeks to investigate buoyancy driven mixing of miscible fluids by microwave volumetric energy deposition is presented. The experiment involves the use of a light, non-polar fluid that initially rests on top of a heavier fluid which is more polar. Microwaves preferentially heat the polar fluid, and its density decreases due to thermal expansion. As the microwave heating continues, the density of the lower fluid eventually becomes less than that of the upper, and buoyancy driven Rayleigh-Taylor mixing ensues. The choice of fluids is crucial to the success of the experiment, and a description is given of numerous fluid combinations considered and characterized. After careful consideration, the miscible pair of toluene/tetrahydrofuran (THF) was determined as having the best potential for successful volumetric energy deposition buoyancy driven mixing. Various single fluid calibration experiments were performed to facilitate the development of a heating theory. Thereafter, results from two-fluid mixing experiments are presented that demonstrate the capability of this novel Rayleigh-Taylor driven experiment. Particular interest is paid to the onset of buoyancy driven mixing and unusual aspects of the experiment in the context of typical Rayleigh-Taylor driven mixing.

Statistical properties of kinetic and total energy densities in reverberant spaces.

PubMed

Jacobsen, Finn; Molares, Alfonso Rodríguez

2010-04-01

Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high modal overlap, and this analysis has never been published. Moreover, until fairly recently, measurement of the total sound energy density required an elaborate experimental arrangement based on finite-difference approximations using at least four amplitude and phase matched pressure microphones. With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically, experimentally, and numerically.

Acoustic energy in ducts - Further observations

NASA Technical Reports Server (NTRS)

Eversman, W.

1979-01-01

The transmission of acoustic energy in uniform ducts carrying uniform flow is investigated with the purpose of clarifying two points of interest. The two commonly used definitions of acoustic 'energy' flux are shown to be related by a Legendre transformation of the Lagrangian density exactly as in deriving the Hamiltonian density in mechanics. In the acoustic case the total energy density and the Hamiltonian density are not the same which accounts for two different 'energy' fluxes. When the duct has acoustically absorptive walls neither of the two flux expressions gives correct results. A reevaluation of the basis of derivation of the energy density and energy flux provides forms which yield consistent results for soft walled ducts.

NH3 assisted photoreduction and N-doping of graphene oxide for high performance electrode materials in supercapacitors

NASA Astrophysics Data System (ADS)

Huang, Haifu; Luo, Guangsheng; Xu, Lianqiang; Lei, Chenglong; Tang, Yanmei; Tang, Shaolong; Du, Youwei

2015-01-01

Nitrogen-doped graphene was synthesized by simple photoreduction of graphene oxide (GO) deposited on nickel foam under NH3 atmosphere. The combination of photoreduction and NH3 not only reduces the GO in a shorter time but also induces nitrogen doping easily. The nitrogen doped content of N-rGO@NF reaches a high of 5.99 at% with 15 min of irradiation. The nitrogen-doped graphene deposited on Ni foam (N-rGO@NF) can be directly used as an electrode for supercapacitors, without any conductive agents and polymer binders. In the electrochemical measurement, N-rGO@NF displays remarkable electrochemical performance. In particular, the N-rGO@NF irradiated for 45 min at a high current density of 92.3 A g-1 retained about 77% (190.4 F g-1) of its initial specific capacitance (247.1 F g-1 at 0.31 A g-1). Furthermore, the stable voltage window could be extended to 2.0 and 1.5 V by using Li2SO4 and a mixed Li2SO4/KOH electrolyte, and the maximum energy density was high up to 32.6 and 21.2 Wh kg-1, respectively. The results show that compared to Li2SO4, a mixed electrolyte (Li2SO4/KOH) more efficiently balances the relationship between the high energy densities and high power densities.Nitrogen-doped graphene was synthesized by simple photoreduction of graphene oxide (GO) deposited on nickel foam under NH3 atmosphere. The combination of photoreduction and NH3 not only reduces the GO in a shorter time but also induces nitrogen doping easily. The nitrogen doped content of N-rGO@NF reaches a high of 5.99 at% with 15 min of irradiation. The nitrogen-doped graphene deposited on Ni foam (N-rGO@NF) can be directly used as an electrode for supercapacitors, without any conductive agents and polymer binders. In the electrochemical measurement, N-rGO@NF displays remarkable electrochemical performance. In particular, the N-rGO@NF irradiated for 45 min at a high current density of 92.3 A g-1 retained about 77% (190.4 F g-1) of its initial specific capacitance (247.1 F g-1 at 0.31 A g-1). Furthermore, the stable voltage window could be extended to 2.0 and 1.5 V by using Li2SO4 and a mixed Li2SO4/KOH electrolyte, and the maximum energy density was high up to 32.6 and 21.2 Wh kg-1, respectively. The results show that compared to Li2SO4, a mixed electrolyte (Li2SO4/KOH) more efficiently balances the relationship between the high energy densities and high power densities. Electronic supplementary information (ESI) available: Digital images of nickel foam, GO deposited in nickel foam, N-rGO@NF, and N-rGO@NF electrodes (1.0 × 1.0 cm); Digital images: (1) N-rGO@NF sheet was put into 1 M FeCl3 at room temperature dissolve the Ni metal and (2) a whole N-rGO sheet without Ni foam support after nickel etching; image of film with fragile features after being irradiated by a high-pressure Hg lamp (500 W) in Ar and NH3 atmosphere. See DOI: 10.1039/c4nr05776g

Solid state amorphization of nanocrystalline nickel by cryogenic laser shock peening

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

Ye, Chang, E-mail: cye@uakron.edu; Ren, Zhencheng; Zhao, Jingyi

2015-10-07

In this study, complete solid state amorphization in nanocrystalline nickel has been achieved through cryogenic laser shock peening (CLSP). High resolution transmission electron microscopy has revealed the complete amorphous structure of the sample after CLSP processing. A molecular dynamic model has been used to investigate material behavior during the shock loading and the effects of nanoscale grain boundaries on the amorphization process. It has been found that the initial nanoscale grain boundaries increase the initial Gibbs free energy before plastic deformation and also serve as dislocation emission sources during plastic deformation to contribute to defect density increase, leading to themore » amorphization of pure nanocrystalline nickel.« less

Three-dimensional imaging of the ultracold plasma formed in a supersonic molecular beam

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

Schulz-Weiling, Markus; Grant, Edward

Double-resonant excitation of nitric oxide in a seeded supersonic molecular beam forms a state-selected Rydberg gas that evolves to form an ultracold plasma. This plasma travels with the propagation of the molecular beam in z over a variable distance as great as 600 mm to strike an imaging detector, which records the charge distribution in the dimensions, x and y. The ω{sub 1} + ω{sub 2} laser crossed molecular beam excitation geometry convolutes the axial Gaussian distribution of NO in the molecular beam with the Gaussian intensity distribution of the perpendicularly aligned laser beam to create an ellipsoidal volume of Rydbergmore » gas. Detected images describe the evolution of this initial density as a function of selected Rydberg gas initial principal quantum number, n{sub 0}, ω{sub 1} laser pulse energy (linearly related to Rydberg gas density, ρ{sub 0}) and flight time. Low-density Rydberg gases of lower principal quantum number produce uniformly expanding, ellipsoidal charge-density distributions. Increase either of n{sub 0} or ρ{sub 0} breaks the ellipsoidal symmetry of plasma expansion. The volume bifurcates to form repelling plasma volumes. The velocity of separation depends on n{sub 0} and ρ{sub 0} in a way that scales uniformly with ρ{sub e}, the density of electrons formed in the core of the Rydberg gas by prompt Penning ionization. Conditions under which this electron gas drives expansion in the long axis dimension of the ellipsoid favours the formation of counter-propagating shock waves.« less

Determination of Foraging Thresholds and Effects of Application on Energetic Carrying Capacity for Waterfowl

PubMed Central

2015-01-01

Energetic carrying capacity of habitats for wildlife is a fundamental concept used to better understand population ecology and prioritize conservation efforts. However, carrying capacity can be difficult to estimate accurately and simplified models often depend on many assumptions and few estimated parameters. We demonstrate the complex nature of parameterizing energetic carrying capacity models and use an experimental approach to describe a necessary parameter, a foraging threshold (i.e., density of food at which animals no longer can efficiently forage and acquire energy), for a guild of migratory birds. We created foraging patches with different fixed prey densities and monitored the numerical and behavioral responses of waterfowl (Anatidae) and depletion of foods during winter. Dabbling ducks (Anatini) fed extensively in plots and all initial densities of supplemented seed were rapidly reduced to 10 kg/ha and other natural seeds and tubers combined to 170 kg/ha, despite different starting densities. However, ducks did not abandon or stop foraging in wetlands when seed reduction ceased approximately two weeks into the winter-long experiment nor did they consistently distribute according to ideal-free predictions during this period. Dabbling duck use of experimental plots was not related to initial seed density, and residual seed and tuber densities varied among plant taxa and wetlands but not plots. Herein, we reached several conclusions: 1) foraging effort and numerical responses of dabbling ducks in winter were likely influenced by factors other than total food densities (e.g., predation risk, opportunity costs, forager condition), 2) foraging thresholds may vary among foraging locations, and 3) the numerical response of dabbling ducks may be an inconsistent predictor of habitat quality relative to seed and tuber density. We describe implications on habitat conservation objectives of using different foraging thresholds in energetic carrying capacity models and suggest scientists reevaluate assumptions of these models used to guide habitat conservation. PMID:25790255

Holographic Dark Energy Density

NASA Astrophysics Data System (ADS)

Saadat, Hassan

2011-06-01

In this article we consider the cosmological model based on the holographic dark energy. We study dark energy density in Universe with arbitrary spatially curvature described by the Friedmann-Robertson-Walker metric. We use Chevallier-Polarski-Linder parametrization to specify dark energy density.

Fabrication of Titanium-Niobium-Zirconium-Tantalium Alloy (TNZT) Bioimplant Components with Controllable Porosity by Spark Plasma Sintering

PubMed Central

Rechtin, Jack; Torresani, Elisa; Ivanov, Eugene; Olevsky, Eugene

2018-01-01

Spark Plasma Sintering (SPS) is used to fabricate Titanium-Niobium-Zirconium-Tantalum alloy (TNZT) powder—based bioimplant components with controllable porosity. The developed densification maps show the effects of final SPS temperature, pressure, holding time, and initial particle size on final sample relative density. Correlations between the final sample density and mechanical properties of the fabricated TNZT components are also investigated and microstructural analysis of the processed material is conducted. A densification model is proposed and used to calculate the TNZT alloy creep activation energy. The obtained experimental data can be utilized for the optimized fabrication of TNZT components with specific microstructural and mechanical properties suitable for biomedical applications. PMID:29364165

Defluoridation of drinking water by electrocoagulation/electroflotation in a stirred tank reactor with a comparative performance to an external-loop airlift reactor.

PubMed

Essadki, A H; Gourich, B; Vial, Ch; Delmas, H; Bennajah, M

2009-09-15

Defluoridation using batch electrocoagulation/electroflotation (EC/EF) was carried out in two reactors for comparison purpose: a stirred tank reactor (STR) close to a conventional EC cell and an external-loop airlift reactor (ELAR) that was recently described as an innovative reactor for EC. The respective influences of current density, initial concentration and initial pH on the efficiency of defluoridation were investigated. The same trends were observed in both reactors, but the efficiency was higher in the STR at the beginning of the electrolysis, whereas similar values were usually achieved after 15min operation. The influence of the initial pH was explained using the analyses of sludge composition and residual soluble aluminum species in the effluents, and it was related to the prevailing mechanisms of defluoridation. Fluoride removal and sludge reduction were both favored by an initial pH around 4, but this value required an additional pre-treatment for pH adjustment. Finally, electric energy consumption was similar in both reactors when current density was lower than 12mA/cm(2), but mixing and complete flotation of the pollutants were achieved without additional mechanical power in the ELAR, using only the overall liquid recirculation induced by H(2) microbubbles generated by water electrolysis, which makes subsequent treatments easier to carry out.

Turbulence Statistics of a Buoyant Jet in a Stratified Environment

NASA Astrophysics Data System (ADS)

McCleney, Amy Brooke

Using non-intrusive optical diagnostics, turbulence statistics for a round, incompressible, buoyant, and vertical jet discharging freely into a stably linear stratified environment is studied and compared to a reference case of a neutrally buoyant jet in a uniform environment. This is part of a validation campaign for computational fluid dynamics (CFD). Buoyancy forces are known to significantly affect the jet evolution in a stratified environment. Despite their ubiquity in numerous natural and man-made flows, available data in these jets are limited, which constrain our understanding of the underlying physical processes. In particular, there is a dearth of velocity field data, which makes it challenging to validate numerical codes, currently used for modeling these important flows. Herein, jet near- and far-field behaviors are obtained with a combination of planar laser induced fluorescence (PLIF) and multi-scale time-resolved particle image velocimetry (TR-PIV) for Reynolds number up to 20,000. Deploying non-intrusive optical diagnostics in a variable density environment is challenging in liquids. The refractive index is strongly affected by the density, which introduces optical aberrations and occlusions that prevent the resolution of the flow. One solution consists of using index matched fluids with different densities. Here a pair of water solutions - isopropanol and NaCl - are identified that satisfy these requirements. In fact, they provide a density difference up to 5%, which is the largest reported for such fluid pairs. Additionally, by design, the kinematic viscosities of the solutions are identical. This greatly simplifies the analysis and subsequent simulations of the data. The spectral and temperature dependence of the solutions are fully characterized. In the near-field, shear layer roll-up is analyzed and characterized as a function of initial velocity profile. In the far-field, turbulence statistics are reported for two different scales, one capturing the entire jet at near Taylor microscale resolution, and the other, thanks to the careful refractive index matching of the liquids, resolving the Taylor scale at near Kolmogorov scale resolution. This is accomplished using a combination of TR-PIV and long-distance micro-PIV. The turbulence statistics obtained at various downstream locations and magnifications are obtained for density differences of 0%, 1%, and 3%. To validate the experimental methodology and provide a reference case for validation, the effect of initial velocity profile on the neutrally buoyant jet in the self-preserving regime is studied at two Reynolds numbers of 10,000 and 20,000. For the neutrally buoyant jet, it is found that independent of initial conditions the jet follows a self-similar behavior in the far-field; however, the spreading rate is strongly dependent on initial velocity profile. High magnification analysis at the small turbulent length scales shows a flow field where the mean statistics compare well to the larger field of view case. Investigation of the near-field shows the jet is strongly influenced by buoyancy, where an increase in vortex ring formation frequency and number of pairings occur. The buoyant jet with a 1% density difference shows an alteration of the centerline velocity decay, but the radial distribution of the mean axial velocity collapses well at all measurement locations. Jet formation dramatically changes for a buoyant jet with a 3% density difference, where the jet reaches a terminal height and spreads out horizontally at its neutral buoyancy location. Analysis of both the mean axial velocity and strain rates show the jet is no longer self-similar; for example, the mean centerline velocity does not decay uniformly as the jet develops. The centerline strain rates at this density difference also show trends which are strongly influenced by the altered centerline velocity. The overall centerline analysis shows that turbulence suppression occurs as a result of the stratification for both the 1% and 3% density difference. Analysis on the kinetic energy budget shows that the mean convection, production, transportation, and dissipation of energy is altered from stratification. High resolution data of the jet enable flow structures to be captured in the neutrally buoyant region of the flow. Vortices of different sizes are identified. Longer data sets are necessary to perform a statistical analysis of their distribution and to compare them to homogeneous environment case. This multi-scale analysis shows potential for studying energy transfer between length scales.

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: a comparison between density functional theory and density functional tight binding results.

PubMed

grosse Holthaus, Svea; Köppen, Susan; Frauenheim, Thomas; Ciacchi, Lucio Colombi

2014-06-21

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101̄0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to form predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: A comparison between density functional theory and density functional tight binding results

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

Holthaus, Svea große; Köppen, Susan, E-mail: koeppen@hmi.uni-bremen.de; Frauenheim, Thomas

2014-06-21

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101{sup ¯}0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to formmore » predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.« less

Comparison of three methods to reduce energy density. Effects on daily energy intake.

PubMed

Williams, Rachel A; Roe, Liane S; Rolls, Barbara J

2013-07-01

Reductions in food energy density can decrease energy intake, but it is not known if the effects depend on the way that energy density is reduced. We investigated whether three methods of reducing energy density (decreasing fat, increasing fruit and vegetables, and adding water) differed in their effects on energy intake across the day. In a crossover design, 59 adults ate breakfast, lunch, and dinner in the laboratory once a week for 4 weeks. Across conditions, the entrées were either standard in energy density or were reduced in energy density by 20% using one of the three methods. Each meal included a manipulated entrée along with unmanipulated side dishes, and all foods were consumed ad libitum. Reducing the energy density of entrées significantly decreased daily energy intake compared to standard entrées (mean intake 2667 ± 77 kcal/day; 11,166 ± 322 kJ/day). The mean decrease was 396 ± 44 kcal/day (1658 ± 184 kJ/day) when fat was reduced, 308 ± 41 kcal/day (1290 ± 172 kJ/day) when fruit and vegetables were increased, and 230 ± 35 kcal/day (963 ± 147 kJ/day) when water was added. Daily energy intake was lower when fat was decreased compared to the other methods. These findings indicate that a variety of diet compositions can be recommended to reduce overall dietary energy density in order to moderate energy intake. Copyright © 2013 Elsevier Ltd. All rights reserved.

Energy density of lake whitefish Coregonus clupeaformis in Lakes Huron and Michigan

USGS Publications Warehouse

Pothoven, S.A.; Nalepa, T.F.; Madenjian, C.P.; Rediske, R.R.; Schneeberger, P.J.; He, J.X.

2006-01-01

We collected lake whitefish Coregonus clupeaformis off Alpena and Tawas City, Michigan, USA in Lake Huron and off Muskegon, Michigan USA in Lake Michigan during 2002–2004. We determined energy density and percent dry weight for lake whitefish from both lakes and lipid content for Lake Michigan fish. Energy density increased with increasing fish weight up to 800 g, and then remained relatively constant with further increases in fish weight. Energy density, adjusted for weight, was lower in Lake Huron than in Lake Michigan for both small (≤800 g) and large fish (>800 g). Energy density did not differ seasonally for small or large lake whitefish or between adult male and female fish. Energy density was strongly correlated with percent dry weight and percent lipid content. Based on data from commercially caught lake whitefish, body condition was lower in Lake Huron than Lake Michigan during 1981–2003, indicating that the dissimilarity in body condition between the lakes could be long standing. Energy density and lipid content in 2002–2004 in Lake Michigan were lower than data for comparable sized fish collected in 1969–1971. Differences in energy density between lakes were attributed to variation in diet and prey energy content as well as factors that affect feeding rates such as lake whitefish density and prey abundance.

Estimation of energy density of Li-S batteries with liquid and solid electrolytes

NASA Astrophysics Data System (ADS)

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.

Ground-state properties of light kaonic nuclei signaling symmetry energy at high densities

NASA Astrophysics Data System (ADS)

Yang, Rongyao; Wei, Sina; Jiang, Weizhou

2018-01-01

A sensitive correlation between the ground-state properties of light kaonic nuclei and the symmetry energy at high densities is constructed under the framework of relativistic mean-field theory. Taking oxygen isotopes as an example, we see that a high-density core is produced in kaonic oxygen nuclei, due to the strongly attractive antikaon-nucleon interaction. It is found that the 1{S}1/2 state energy in the high-density core of kaonic nuclei can directly probe the variation of the symmetry energy at supranormal nuclear density, and a sensitive correlation between the neutron skin thickness and the symmetry energy at supranormal density is established directly. Meanwhile, the sensitivity of the neutron skin thickness to the low-density slope of the symmetry energy is greatly increased in the corresponding kaonic nuclei. These sensitive relationships are established upon the fact that the isovector potential in the central region of kaonic nuclei becomes very sensitive to the variation of the symmetry energy. These findings might provide another perspective to constrain high-density symmetry energy, and await experimental verification in the future. Supported by National Natural Science Foundation of China (11775049, 11275048) and the China Jiangsu Provincial Natural Science Foundation (BK20131286)

Trade-offs between energy maximization and parental care in a central place forager, the sea otter

USGS Publications Warehouse

Thometz, N M; Staedler, M.M.; Tomoleoni, Joseph; Bodkin, James L.; Bentall, G.B.; Tinker, M. Tim

2016-01-01

Between 1999 and 2014, 126 archival time–depth recorders (TDRs) were used to examine the foraging behavior of southern sea otters (Enhydra lutris nereis) off the coast of California, in both resource-abundant (recently occupied, low sea otter density) and resource-limited (long-occupied, high sea otter density) locations. Following predictions of foraging theory, sea otters generally behaved as energy rate maximizers. Males and females without pups employed similar foraging strategies to optimize rates of energy intake in resource-limited habitats, with some exceptions. Both groups increased overall foraging effort and made deeper, longer and more energetically costly dives as resources became limited, but males were more likely than females without pups to utilize extreme dive profiles. In contrast, females caring for young pups (≤10 weeks) prioritized parental care over energy optimization. The relative importance of parental care versus energy optimization for adult females with pups appeared to reflect developmental changes as dependent young matured. Indeed, contrary to females during the initial stages of lactation, females with large pups approaching weaning once again prioritized optimizing energy intake. The increasing prioritization of energy optimization over the course of lactation was possible due to the physiological development of pups and likely driven by the energetic deficit incurred by females early in lactation. Our results suggest that regardless of resource availability, females at the end of lactation approach a species-specific ceiling for percent time foraging and that reproductive females in the central portion of the current southern sea otter range are disproportionately affected by resource limitation.

Multifunctional composites for energy storage

NASA Astrophysics Data System (ADS)

Shuvo, Mohammad Arif I.; Karim, Hasanul; Rajib, Md; Delfin, Diego; Lin, Yirong

2014-03-01

Electrochemical super-capacitors have become one of the most important topics in both academia and industry as novel energy storage devices because of their high power density, long life cycles, and high charge/discharge efficiency. Recently, there has been an increasing interest in the development of multifunctional structural energy storage devices such as structural super-capacitors for applications in aerospace, automobiles and portable electronics. These multifunctional structural super-capacitors provide lighter structures combining energy storage and load bearing functionalities. Due to their superior materials properties, carbon fiber composites have been widely used in structural applications for aerospace and automotive industries. Besides, carbon fiber has good electrical conductivity which will provide lower equivalent series resistance; therefore, it can be an excellent candidate for structural energy storage applications. Hence, this paper is focused on performing a pilot study for using nanowire/carbon fiber hybrids as building materials for structural energy storage materials; aiming at enhancing the charge/discharge rate and energy density. This hybrid material combines the high specific surface area of carbon fiber and pseudo-capacitive effect of metal oxide nanowires which were grown hydrothermally in an aligned fashion on carbon fibers. The aligned nanowire array could provide a higher specific surface area that leads to high electrode-electrolyte contact area and fast ion diffusion rates. Scanning Electron Microscopy (SEM) and XRay Diffraction (XRD) measurements were used for the initial characterization of this nanowire/carbon fiber hybrid material system. Electrochemical testing has been performed using a potentio-galvanostat. The results show that gold sputtered nanowire hybrid carbon fiber provides 65.9% better performance than bare carbon fiber cloth as super-capacitor.

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

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

Nishimoto, Yoshio, E-mail: nishimoto.yoshio@fukui.kyoto-u.ac.jp

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 themore » 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.« less

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

PubMed

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.

Electrochemical removal of phenol from oil refinery wastewater.

PubMed

Abdelwahab, O; Amin, N K; El-Ashtoukhy, E-S Z

2009-04-30

This study explores the possibility of using electrocoagulation to remove phenol from oil refinery waste effluent using a cell with horizontally oriented aluminum cathode and a horizontal aluminum screen anode. The removal of phenol was investigated in terms of various parameters namely: pH, operating time, current density, initial phenol concentration and addition of NaCl. Removal of phenol during electrocoagulation was due to combined effect of sweep coagulation and adsorption. The results showed that, at high current density and solution pH 7, remarkable removal of 97% of phenol after 2h can be achieved. The rate of electrocoagulation was observed to increase as the phenol concentration decreases; the maximum removal rate was attained at 30 mg L(-1) phenol concentration. For a given current density using an array of closely packed Al screens as anode was found to be more effective than single screen anode, the percentage phenol removal was found to increase with increasing the number of screens per array. After 2h of electrocoagulation, 94.5% of initial phenol concentration was removed from the petroleum refinery wastewater. Energy consumption and aluminum Electrode consumption were calculated per gram of phenol removed. The present study shows that, electrocoagulation of phenol using aluminum electrodes is a promising process.

Rational Design of Hierarchically Core-Shell Structured Ni3 S2 @NiMoO4 Nanowires for Electrochemical Energy Storage.

PubMed

Chen, Fangshuai; Ji, Shan; Liu, Quanbing; Wang, Hui; Liu, Hao; Brett, Dan J L; Wang, Guoxiu; Wang, Rongfang

2018-05-30

Rational design and controllable synthesis of nanostructured materials with unique microstructure and excellent electrochemical performance for energy storage are crucially desired. In this paper, a facile method is reported for general synthesis of hierarchically core-shell structured Ni 3 S 2 @NiMoO 4 nanowires (NWs) as a binder-free electrode for asymmetric supercapacitors. Due to the intimate contact between Ni 3 S 2 and NiMoO 4 , the hierarchical structured electrodes provide a promising unique structure for asymmetric supercapacitors. The as-prepared binder-free Ni 3 S 2 @NiMoO 4 electrode can significantly improve the electrical conductivity between Ni 3 S 2 and NiMoO 4 , and effectively avoid the aggregation of NiMoO 4 nanosheets, which provide more active space for storing charge. The Ni 3 S 2 @NiMoO 4 electrode presents a high areal capacity of 1327.3 µAh cm -2 and 67.8% retention of its initial capacity when current density increases from 2 to 40 mA cm -2 . In a two-electrode Ni 3 S 2 @NiMoO 4 //active carbon cell, the active materials deliver a high energy density of 121.5 Wh kg -1 at a power density of 2.285 kW kg -1 with excellent cycling stability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Novel high-energy physics studies using intense lasers and plasmas

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

Leemans, Wim P.; Bulanov, Stepan; Esarey, Eric

2015-06-29

In the framework of the project “Novel high-energy physics studies using intense lasers and plasmas” we conducted the study of ion acceleration and “flying mirrors” with high intensity lasers in order to develop sources of ion beams and high frequency radiation for different applications. Since some schemes of laser ion acceleration are also considered a good source of “flying mirrors”, we proposed to investigate the mechanisms of “mirror” formation. As a result we were able to study the laser ion acceleration from thin foils and near critical density targets. We identified several fundamental factors limiting the acceleration in the RPAmore » regime and proposed the target design to compensate these limitations. In the case of near critical density targets, we developed a concept for the laser driven ion source for the hadron therapy. Also we studied the mechanism of “flying mirror” generation during the intense laser interaction with thin solid density targets. As for the laser-based positron creation and capture we initially proposed to study different regimes of positron beam generation and positron beam cooling. Since the for some of these schemes a good quality electron beam is required, we studied the generation of ultra-low emittance electron beams. In order to understand the fundamental physics of high energy electron beam interaction with high intensity laser pulses, which may affect the efficient generation of positron beams, we studied the radiation reaction effects.« less