Sample records for um energy density

  1. 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.

  2. 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.

  3. 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

  4. Single-particle energies and density of states in density functional theory

    NASA Astrophysics Data System (ADS)

    van Aggelen, H.; Chan, G. K.-L.

    2015-07-01

    Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

  5. 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.

  6. A promising high-energy-density material.

    PubMed

    Zhang, Wenquan; Zhang, Jiaheng; Deng, Mucong; Qi, Xiujuan; Nie, Fude; Zhang, Qinghua

    2017-08-03

    High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. The main challenge in this field is to design and synthesize energetic compounds with a highest possible density and a maximum possible chemical stability. Here we show an energetic compound, [2,2'-bi(1,3,4-oxadiazole)]-5,5'-dinitramide, is synthesized through a two-step reaction from commercially available reagents. It exhibits a surprisingly high density (1.99 g cm -3 at 298 K), poor solubility in water and most organic solvents, decent thermal stability, a positive heat of formation and excellent detonation properties. The solid-state structural features of the synthesized compound are also investigated via X-ray diffraction and several theoretical techniques. The energetic and sensitivity properties of the explosive compound are similar to those of 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), and the developed compound shows a great promise for potential applications as a high-energy density material.High energy density materials are of interest, but density is the limiting factor for many organic compounds. Here the authors show the formation of a high density energetic compound from a two-step reaction between commercially available compounds that exhibit good heat thermal stability and detonation properties.

  7. High Energy Density Capacitors

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

    None

    2010-07-01

    BEEST Project: Recapping is developing a capacitor that could rival the energy storage potential and price of today’s best EV batteries. When power is needed, the capacitor rapidly releases its stored energy, similar to lightning being discharged from a cloud. Capacitors are an ideal substitute for batteries if their energy storage capacity can be improved. Recapping is addressing storage capacity by experimenting with the material that separates the positive and negative electrodes of its capacitors. These separators could significantly improve the energy density of electrochemical devices.

  8. High energy density electrochemical cell

    NASA Technical Reports Server (NTRS)

    Byrne, J. J.; Williams, D. L.

    1970-01-01

    Primary cell has an anode of lithium, a cathode containing dihaloisocyanuric acid, and a nonaqueous electrolyte comprised of a solution of lithium perchlorate in methyl formate. It produces an energy density of 213 watt hrs/lb and can achieve a high current density.

  9. 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.

  10. High-power-density, high-energy-density fluorinated graphene for primary lithium batteries

    NASA Astrophysics Data System (ADS)

    Zhong, Guiming; Chen, Huixin; Huang, Xingkang; Yue, Hongjun; Lu, Canzhong

    2018-03-01

    Li/CFx is one of the highest-energy-density primary batteries; however, poor rate capability hinders its practical applications in high-power devices. Here we report a preparation of fluorinated graphene (GFx) with superior performance through a direct gas fluorination. We find that the so-called “semi-ionic” C-F bond content in all C-F bonds presents a more critical impact on rate performance of the GFx in comparison with sp2 C content in the GFx, morphology, structure, and specific surface area of the materials. The rate capability remains excellent before the semi-ionic C-F bond proportion in the GFx decreases. Thus, by optimizing semi-ionic C-F content in our GFx, we obtain the optimal x of 0.8, with which the GF0.8 exhibits a very high energy density of 1073 Wh kg-1 and an excellent power density of 21460 W kg-1 at a high current density of 10 A g-1. More importantly, our approach opens a new avenue to obtain fluorinated carbon with high energy densities without compromising high power densities.

  11. 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.

  12. Institute for High Energy Density Science

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

    Wootton, Alan

    The project objective was for the Institute of High Energy Density Science (IHEDS) at the University of Texas at Austin to help grow the High Energy Density (HED) science community, by connecting academia with the Z Facility (Z) and associated staff at Sandia National Laboratories (SNL). IHEDS was originally motivated by common interests and complementary capabilities at SNL and the University of Texas System (UTX), in 2008.

  13. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    NASA Astrophysics Data System (ADS)

    Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

    2017-12-01

    The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

  14. 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.

  15. 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.

  16. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    DOE PAGES

    Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

    2017-11-20

    The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

  17. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

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

    Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

    The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

  18. COMBINATION OF DENSITY AND ENERGY MODULATION IN MICROBUNCHING ANALYSIS

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

    Tsai, Cheng Ying; Li, Rui

    2016-05-01

    Microbunching instability (MBI) has been one of the most challenging issues in the transport of high-brightness electron beams for modern recirculating or energy recovery linac machines. Recently we have developed and implemented a Vlasov solver [1] to calculate the microbunching gain for an arbitrary beamline lattice, based on the extension of existing theoretical formulation [2-4] for the microbunching amplification from an initial density perturbation to the final density modulation. For more thorough analyses, in addition to the case of (initial) density to (final) density amplification, we extend in this paper the previous formulation to more general cases, including energy tomore » density, density to energy and energy to energy amplifications for a recirculation machine. Such semi-analytical formulae are then incorporated into our Vlasov solver, and qualitative agreement is obtained when the semi-analytical Vlasov results are compared with particle tracking simulation using ELEGANT [5].« less

  19. Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries

    NASA Astrophysics Data System (ADS)

    Li, Jianlin; Du, Zhijia; Ruther, Rose E.; AN, Seong Jin; David, Lamuel Abraham; Hays, Kevin; Wood, Marissa; Phillip, Nathan D.; Sheng, Yangping; Mao, Chengyu; Kalnaus, Sergiy; Daniel, Claus; Wood, David L.

    2017-09-01

    Reducing cost and increasing energy density are two barriers for widespread application of lithium-ion batteries in electric vehicles. Although the cost of electric vehicle batteries has been reduced by 70% from 2008 to 2015, the current battery pack cost (268/kWh in 2015) is still >2 times what the USABC targets (125/kWh). Even though many advancements in cell chemistry have been realized since the lithium-ion battery was first commercialized in 1991, few major breakthroughs have occurred in the past decade. Therefore, future cost reduction will rely on cell manufacturing and broader market acceptance. This article discusses three major aspects for cost reduction: (1) quality control to minimize scrap rate in cell manufacturing; (2) novel electrode processing and engineering to reduce processing cost and increase energy density and throughputs; and (3) material development and optimization for lithium-ion batteries with high-energy density. Insights on increasing energy and power densities of lithium-ion batteries are also addressed.

  20. Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries

    DOE PAGES

    Li, Jianlin; Du, Zhijia; Ruther, Rose E.; ...

    2017-06-12

    Reducing cost and increasing energy density are two barriers for widespread application of lithium-ion batteries in electric vehicles. Although the cost of electric vehicle batteries has been reduced by ~70% from 2008 to 2015, the current battery pack cost (268/kWh in 2015) is still >2 times what the USABC targets (125/kWh). Even though many advancements in cell chemistry have been realized since the lithium-ion battery was first commercialized in 1991, few major breakthroughs have occurred in the past decade. Therefore, future cost reduction will rely on cell manufacturing and broader market acceptance. Here, this article discusses three major aspects formore » cost reduction: (1) quality control to minimize scrap rate in cell manufacturing; (2) novel electrode processing and engineering to reduce processing cost and increase energy density and throughputs; and (3) material development and optimization for lithium-ion batteries with high-energy density. Insights on increasing energy and power densities of lithium-ion batteries are also addressed.« less

  1. Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries

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

    Li, Jianlin; Du, Zhijia; Ruther, Rose E.

    Reducing cost and increasing energy density are two barriers for widespread application of lithium-ion batteries in electric vehicles. Although the cost of electric vehicle batteries has been reduced by ~70% from 2008 to 2015, the current battery pack cost (268/kWh in 2015) is still >2 times what the USABC targets (125/kWh). Even though many advancements in cell chemistry have been realized since the lithium-ion battery was first commercialized in 1991, few major breakthroughs have occurred in the past decade. Therefore, future cost reduction will rely on cell manufacturing and broader market acceptance. Here, this article discusses three major aspects formore » cost reduction: (1) quality control to minimize scrap rate in cell manufacturing; (2) novel electrode processing and engineering to reduce processing cost and increase energy density and throughputs; and (3) material development and optimization for lithium-ion batteries with high-energy density. Insights on increasing energy and power densities of lithium-ion batteries are also addressed.« less

  2. Density-dependent covariant energy density functionals

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

    Lalazissis, G. A.

    2012-10-20

    Relativistic nuclear energy density functionals are applied to the description of a variety of nuclear structure phenomena at and away fromstability line. Isoscalar monopole, isovector dipole and isoscalar quadrupole giant resonances are calculated using fully self-consistent relativistic quasiparticle randomphase approximation, based on the relativistic Hartree-Bogoliubovmodel. The impact of pairing correlations on the fission barriers in heavy and superheavy nuclei is examined. The role of pion in constructing desnity functionals is also investigated.

  3. Surface symmetry energy of nuclear energy density functionals

    NASA Astrophysics Data System (ADS)

    Nikolov, N.; Schunck, N.; Nazarewicz, W.; Bender, M.; Pei, J.

    2011-03-01

    We study the bulk deformation properties of the Skyrme nuclear energy density functionals (EDFs). Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band heads in Hg and Pb isotopes and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear EDFs. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

  4. 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.

  5. Postmortem validation of breast density using dual-energy mammography

    PubMed Central

    Molloi, Sabee; Ducote, Justin L.; Ding, Huanjun; Feig, Stephen A.

    2014-01-01

    Purpose: Mammographic density has been shown to be an indicator of breast cancer risk and also reduces the sensitivity of screening mammography. Currently, there is no accepted standard for measuring breast density. Dual energy mammography has been proposed as a technique for accurate measurement of breast density. The purpose of this study is to validate its accuracy in postmortem breasts and compare it with other existing techniques. Methods: Forty postmortem breasts were imaged using a dual energy mammography system. Glandular and adipose equivalent phantoms of uniform thickness were used to calibrate a dual energy basis decomposition algorithm. Dual energy decomposition was applied after scatter correction to calculate breast density. Breast density was also estimated using radiologist reader assessment, standard histogram thresholding and a fuzzy C-mean algorithm. Chemical analysis was used as the reference standard to assess the accuracy of different techniques to measure breast composition. Results: Breast density measurements using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean algorithm, and dual energy were in good agreement with the measured fibroglandular volume fraction using chemical analysis. The standard error estimates using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean, and dual energy were 9.9%, 8.6%, 7.2%, and 4.7%, respectively. Conclusions: The results indicate that dual energy mammography can be used to accurately measure breast density. The variability in breast density estimation using dual energy mammography was lower than reader assessment rankings, standard histogram thresholding, and fuzzy C-mean algorithm. Improved quantification of breast density is expected to further enhance its utility as a risk factor for breast cancer. PMID:25086548

  6. Postmortem validation of breast density using dual-energy mammography

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

    Molloi, Sabee, E-mail: symolloi@uci.edu; Ducote, Justin L.; Ding, Huanjun

    2014-08-15

    Purpose: Mammographic density has been shown to be an indicator of breast cancer risk and also reduces the sensitivity of screening mammography. Currently, there is no accepted standard for measuring breast density. Dual energy mammography has been proposed as a technique for accurate measurement of breast density. The purpose of this study is to validate its accuracy in postmortem breasts and compare it with other existing techniques. Methods: Forty postmortem breasts were imaged using a dual energy mammography system. Glandular and adipose equivalent phantoms of uniform thickness were used to calibrate a dual energy basis decomposition algorithm. Dual energy decompositionmore » was applied after scatter correction to calculate breast density. Breast density was also estimated using radiologist reader assessment, standard histogram thresholding and a fuzzy C-mean algorithm. Chemical analysis was used as the reference standard to assess the accuracy of different techniques to measure breast composition. Results: Breast density measurements using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean algorithm, and dual energy were in good agreement with the measured fibroglandular volume fraction using chemical analysis. The standard error estimates using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean, and dual energy were 9.9%, 8.6%, 7.2%, and 4.7%, respectively. Conclusions: The results indicate that dual energy mammography can be used to accurately measure breast density. The variability in breast density estimation using dual energy mammography was lower than reader assessment rankings, standard histogram thresholding, and fuzzy C-mean algorithm. Improved quantification of breast density is expected to further enhance its utility as a risk factor for breast cancer.« less

  7. Minimal nuclear energy density functional

    NASA Astrophysics Data System (ADS)

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; Perez, Rodrigo Navarro; Schunck, Nicolas

    2018-04-01

    We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ɛr=0.022 fm and a standard deviation σr=0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body (NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.

  8. Minimal nuclear energy density functional

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

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi

    Inmore » this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.« less

  9. Minimal nuclear energy density functional

    DOE PAGES

    Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi; ...

    2018-04-17

    Inmore » this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.« less

  10. High-Energy-Density Capacitors

    NASA Technical Reports Server (NTRS)

    Slenes, Kirk

    2003-01-01

    Capacitors capable of storing energy at high densities are being developed for use in pulse-power circuits in such diverse systems as defibrillators, particle- beam accelerators, microwave sources, and weapons. Like typical previously developed energy-storage capacitors, these capacitors are made from pairs of metal/solid-dielectric laminated sheets that are wound and pressed into compact shapes to fit into cans, which are then filled with dielectric fluids. Indeed, these capacitors can be fabricated largely by conventional fabrication techniques. The main features that distinguish these capacitors from previously developed ones are improvements in (1) the selection of laminate materials, (2) the fabrication of the laminated sheets from these materials, and (3) the selection of dielectric fluids. In simplest terms, a high-performance laminated sheet of the type used in these capacitors is made by casting a dielectric polymer onto a sheet of aluminized kraft paper. The dielectric polymer is a siloxane polymer that has been modified with polar pendant groups to increase its permittivity and dielectric strength. Potentially, this polymer is capable of withstanding an energy density of 7.5 J/cm3, which is four times that of the previous state-of-the-art-capacitor dielectric film material. However, the full potential of this polymer cannot be realized at present because (1) at thicknesses needed for optimum performance (.8.0 m), the mechanical strength of a film of this polymer is insufficient for incorporation into a wound capacitor and (2) at greater thickness, the achievable energy density decreases because of a logarithmic decrease in dielectric strength with increasing thickness. The aluminized kraft paper provides the mechanical strength needed for processing of the laminate and fabrication of the capacitor, and the aluminum film serves as an electrode layer. Because part of the thickness of the dielectric is not occupied by the modified siloxane polymer, the

  11. Proton and neutron density distributions at supranormal density in low- and medium-energy heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Stone, J. R.; Danielewicz, P.; Iwata, Y.

    2017-07-01

    Background: The distribution of protons and neutrons in the matter created in heavy-ion collisions is one of the main points of interest for the collision physics, especially at supranormal densities. These distributions are the basis for predictions of the density dependence of the symmetry energy and the density range that can be achieved in a given colliding system. We report results of the first systematic simulation of proton and neutron density distributions in central heavy-ion collisions within the beam energy range of Ebeam≤800 MeV /nucl . The symmetric 40Ca+40Ca , 48Ca+48Ca , 100Sn+100Sn , and 120Sn+120Sn and asymmetric 40Ca+48Ca and 100Sn+120Sn systems were chosen for the simulations. Purpose: We simulate development of proton and neutron densities and asymmetries as a function of initial state, beam energy, and system size in the selected collisions in order to guide further experiments pursuing the density dependence of the symmetry energy. Methods: The Boltzmann-Uhlenbeck-Uehling (pBUU) transport model with four empirical models for the density dependence of the symmetry energy was employed. Results of simulations using pure Vlasov dynamics were added for completeness. In addition, the time-dependent Hartree-Fock (TDHF) model, with the SV-bas Skyrme interaction, was used to model the heavy-ion collisions at Ebeam≤40 MeV /nucl . Maximum proton and neutron densities ρpmax and ρnmax, reached in the course of a collision, were determined from the time evolution of ρp and ρn. Results: The highest total densities predicted at Ebeam=800 MeV /nucl . were of the order of ˜2.5 ρ0 (ρ0=0.16 fm-3 ) for both Sn and Ca systems. They were found to be only weakly dependent on the initial conditions, beam energy, system size, and a model of the symmetry energy. The proton-neutron asymmetry δ =(ρnmax-ρpmax) /(ρnmax+ρpmax) at maximum density does depend, though, on these parameters. The highest value of δ found in all systems and at all investigated beam

  12. Density dependence of the nuclear energy-density functional

    NASA Astrophysics Data System (ADS)

    Papakonstantinou, Panagiota; Park, Tae-Sun; Lim, Yeunhwan; Hyun, Chang Ho

    2018-01-01

    Background: The explicit density dependence in the coupling coefficients entering the nonrelativistic nuclear energy-density functional (EDF) is understood to encode effects of three-nucleon forces and dynamical correlations. The necessity for the density-dependent coupling coefficients to assume the form of a preferably small fractional power of the density ρ is empirical and the power is often chosen arbitrarily. Consequently, precision-oriented parametrizations risk overfitting in the regime of saturation and extrapolations in dilute or dense matter may lose predictive power. Purpose: Beginning with the observation that the Fermi momentum kF, i.e., the cubic root of the density, is a key variable in the description of Fermi systems, we first wish to examine if a power hierarchy in a kF expansion can be inferred from the properties of homogeneous matter in a domain of densities, which is relevant for nuclear structure and neutron stars. For subsequent applications we want to determine a functional that is of good quality but not overtrained. Method: For the EDF, we fit systematically polynomial and other functions of ρ1 /3 to existing microscopic, variational calculations of the energy of symmetric and pure neutron matter (pseudodata) and analyze the behavior of the fits. We select a form and a set of parameters, which we found robust, and examine the parameters' naturalness and the quality of resulting extrapolations. Results: A statistical analysis confirms that low-order terms such as ρ1 /3 and ρ2 /3 are the most relevant ones in the nuclear EDF beyond lowest order. It also hints at a different power hierarchy for symmetric vs. pure neutron matter, supporting the need for more than one density-dependent term in nonrelativistic EDFs. The functional we propose easily accommodates known or adopted properties of nuclear matter near saturation. More importantly, upon extrapolation to dilute or asymmetric matter, it reproduces a range of existing microscopic

  13. Density functional theory and an experimentally-designed energy functional of electron density.

    PubMed

    Miranda, David A; Bueno, Paulo R

    2016-09-21

    We herein demonstrate that capacitance spectroscopy (CS) experimentally allows access to the energy associated with the quantum mechanical ground state of many-electron systems. Priorly, electrochemical capacitance, C [small mu, Greek, macron] [ρ], was previously understood from conceptual and computational density functional theory (DFT) calculations. Thus, we herein propose a quantum mechanical experiment-based variational method for electron charging processes based on an experimentally-designed functional of the ground state electron density. In this methodology, the electron state density, ρ, and an energy functional of the electron density, E [small mu, Greek, macron] [ρ], can be obtained from CS data. CS allows the derivative of the electrochemical potential with respect to the electron density, (δ[small mu, Greek, macron][ρ]/δρ), to be obtained as a unique functional of the energetically minimised system, i.e., β/C [small mu, Greek, macron] [ρ], where β is a constant (associated with the size of the system) and C [small mu, Greek, macron] [ρ] is an experimentally observable quantity. Thus the ground state energy (at a given fixed external potential) can be obtained simply as E [small mu, Greek, macron] [ρ], from the experimental measurement of C [small mu, Greek, macron] [ρ]. An experimental data-set was interpreted to demonstrate the potential of this quantum mechanical experiment-based variational principle.

  14. Electrode/Dielectric Strip For High-Energy-Density Capacitor

    NASA Technical Reports Server (NTRS)

    Yen, Shiao-Ping S.

    1994-01-01

    Improved unitary electrode/dielectric strip serves as winding in high-energy-density capacitor in pulsed power supply. Offers combination of qualities essential for high energy density: high permittivity of dielectric layers, thinness, and high resistance to breakdown of dielectric at high electric fields. Capacitors with strip material not impregnated with liquid.

  15. Ultra-stiff metallic glasses through bond energy density design.

    PubMed

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

    2017-07-05

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

  16. 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.

  17. Ultimate energy density of observable cold baryonic matter.

    PubMed

    Lattimer, James M; Prakash, Madappa

    2005-03-25

    We demonstrate that the largest measured mass of a neutron star establishes an upper bound to the energy density of observable cold baryonic matter. An equation of state-independent expression satisfied by both normal neutron stars and self-bound quark matter stars is derived for the largest energy density of matter inside stars as a function of their masses. The largest observed mass sets the lowest upper limit to the density. Implications from existing and future neutron star mass measurements are discussed.

  18. Vacuum energy density kicked by the electroweak crossover

    NASA Astrophysics Data System (ADS)

    Klinkhamer, F. R.; Volovik, G. E.

    2009-10-01

    Using q-theory, we show that the electroweak crossover can generate a remnant vacuum energy density Λ˜Eew8/EPlanck4, with effective electroweak energy scale Eew˜103GeV and reduced Planck-energy scale EPlanck˜1018GeV. The obtained expression for the effective cosmological constant Λ may be a crucial input for the suggested solution by Arkani-Hamed et al. of the triple cosmic coincidence puzzle (why the orders of magnitude of the energy densities of vacuum, matter, and radiation are approximately the same in the present Universe).

  19. Negative vacuum energy densities and the causal diamond measure

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

    Salem, Michael P.

    2009-07-15

    Arguably a major success of the landscape picture is the prediction of a small, nonzero vacuum energy density. The details of this prediction depend in part on how the diverging spacetime volume of the multiverse is regulated, a question that remains unresolved. One proposal, the causal diamond measure, has demonstrated many phenomenological successes, including predicting a distribution of positive vacuum energy densities in good agreement with observation. In the string landscape, however, the vacuum energy density is expected to take positive and negative values. We find the causal diamond measure gives a poor fit to observation in such a landscapemore » - in particular, 99.6% of observers in galaxies seemingly just like ours measure a vacuum energy density smaller than we do, most of them measuring it to be negative.« less

  20. Excitation energies from range-separated time-dependent density and density matrix functional theory.

    PubMed

    Pernal, Katarzyna

    2012-05-14

    Time-dependent density functional theory (TD-DFT) in the adiabatic formulation exhibits known failures when applied to predicting excitation energies. One of them is the lack of the doubly excited configurations. On the other hand, the time-dependent theory based on a one-electron reduced density matrix functional (time-dependent density matrix functional theory, TD-DMFT) has proven accurate in determining single and double excitations of H(2) molecule if the exact functional is employed in the adiabatic approximation. We propose a new approach for computing excited state energies that relies on functionals of electron density and one-electron reduced density matrix, where the latter is applied in the long-range region of electron-electron interactions. A similar approach has been recently successfully employed in predicting ground state potential energy curves of diatomic molecules even in the dissociation limit, where static correlation effects are dominating. In the paper, a time-dependent functional theory based on the range-separation of electronic interaction operator is rigorously formulated. To turn the approach into a practical scheme the adiabatic approximation is proposed for the short- and long-range components of the coupling matrix present in the linear response equations. In the end, the problem of finding excitation energies is turned into an eigenproblem for a symmetric matrix. Assignment of obtained excitations is discussed and it is shown how to identify double excitations from the analysis of approximate transition density matrix elements. The proposed method used with the short-range local density approximation (srLDA) and the long-range Buijse-Baerends density matrix functional (lrBB) is applied to H(2) molecule (at equilibrium geometry and in the dissociation limit) and to Be atom. The method accounts for double excitations in the investigated systems but, unfortunately, the accuracy of some of them is poor. The quality of the other

  1. Foldable, High Energy Density Lithium Ion Batteries

    NASA Astrophysics Data System (ADS)

    Suresh, Shravan

    Lithium Ion Batteries (LIBs) have become ubiquitous owing to its low cost, high energy density and, power density. Due to these advantages, LIBs have garnered a lot of attention as the primary energy storage devices in consumer electronics and electric vehicles. Recent advances in the consumer electronics research and, the drive to reduce greenhouse gases have created a demand for a shape conformable, high energy density batteries. This thesis focuses on the aforementioned two aspects of LIBs: (a) shape conformability (b) energy density and provides potential solutions to enhance them. This thesis is divided into two parts viz. (i) achieving foldability in batteries and, (ii) improving its energy density. Conventional LIBs are not shape conformable due to two limitations viz. inelasticity of metallic foils, and delamination of the active materials while bending. In the first part of the thesis (in Chapter 3), this problem is solved by replacing metallic current collector with Carbon Nanotube Macrofilms (CNMs). CNMs are superelastic films comprising of porous interconnected nanotube network. Using Molecular Dynamics (MD) simulation, we found that in the presence of an interconnected nanotube network CNMs can be fully folded. This is because the resultant stress due to bending and, the effective bending angle at the interface is reduced due to the network of nanotubes. Hence, unlike an isolated nanotube (which ruptures beyond 120 degrees of bending), a network of nanotubes can be completely folded. Thus, by replacing metallic current collector foils with CNMs, the flexibility limitation of a conventional LIB can be transcended. The second part of this thesis focusses on enhancing the energy density of LIBs. Two strategies adopted to achieve this goal are (a) removing the dead weight of the batteries, and (b) incorporating high energy density electrode materials. By incorporating CNMs, the weight of the batteries was reduced by 5-10 times due to low mass loading of

  2. Density-based Energy Decomposition Analysis for Intermolecular Interactions with Variationally Determined Intermediate State Energies

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

    Wu, Q.; Ayers, P.W.; Zhang, Y.

    2009-10-28

    The first purely density-based energy decomposition analysis (EDA) for intermolecular binding is developed within the density functional theory. The most important feature of this scheme is to variationally determine the frozen density energy, based on a constrained search formalism and implemented with the Wu-Yang algorithm [Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003) ]. This variational process dispenses with the Heitler-London antisymmetrization of wave functions used in most previous methods and calculates the electrostatic and Pauli repulsion energies together without any distortion of the frozen density, an important fact that enables a clean separation of these twomore » terms from the relaxation (i.e., polarization and charge transfer) terms. The new EDA also employs the constrained density functional theory approach [Q. Wu and T. Van Voorhis, Phys. Rev. A 72, 24502 (2005)] to separate out charge transfer effects. Because the charge transfer energy is based on the density flow in real space, it has a small basis set dependence. Applications of this decomposition to hydrogen bonding in the water dimer and the formamide dimer show that the frozen density energy dominates the binding in these systems, consistent with the noncovalent nature of the interactions. A more detailed examination reveals how the interplay of electrostatics and the Pauli repulsion determines the distance and angular dependence of these hydrogen bonds.« less

  3. Density functional study of double ionization energies

    NASA Astrophysics Data System (ADS)

    Chong, D. P.

    2008-02-01

    In this paper, double ionization energies (DIEs) of gas-phase atoms and molecules are calculated by energy difference method with density functional theory. To determine the best functional for double ionization energies, we first study 24 main group atoms in the second, third, and fourth periods. An approximation is used in which the electron density is first obtained from a density functional computation with the exchange-correlation potential Vxc known as statistical average of orbital potentials, after which the energy is computed from that density with 59 different exchange-correlation energy functionals Exc. For the 24 atoms, the two best Exc functional providing DIEs with average absolute deviation (AAD) of only 0.25eV are the Perdew-Burke-Ernzerhof functional modified by Hammer et al. [Phys. Rev. B 59, 6413 (1999)] and one known as the Krieger-Chen-Iafrate-Savin functional modified by Krieger et al. (unpublished). Surprisingly, none of the 20 available hybrid functionals is among the top 15 functionals for the DIEs of the 24 atoms. A similar procedure is then applied to molecules, with opposite results: Only hybrid functionals are among the top 15 functionals for a selection of 29molecules. The best Exc functional for the 29molecules is found to be the Becke 1997 functional modified by Wilson et al. [J. Chem. Phys. 115, 9233 (2001)]. With that functional, the AAD from experiment for DIEs of 29molecules is just under 0.5eV. If the two suspected values for C2H2 and Fe(CO)5 are excluded, the AAD improves to 0.32eV. Many other hybrid functionals perform almost as well.

  4. High-Energy-Density Shear Flow and Instability Experiments

    NASA Astrophysics Data System (ADS)

    Doss, F. W.; Flippo, K. A.; Merritt, E. C.; di Stefano, C. A.; Devolder, B. G.; Kurien, S.; Kline, J. L.

    2017-10-01

    High-energy-density shear experiments have been performed by LANL at the OMEGA Laser Facility and National Ignition Facility (NIF). The experiments have been simulated using the LANL radiation-hydrocode RAGE and have been used to assess turbulence models ability to function in the high-energy-density, inertial- fusion-relevant regime. Beginning with the basic configuration of two counter-oriented shock-driven flows of >= 100 km/s, which initiate a strong shear instability across an initially solid-density, 20 μm thick Al plate, variations of the experiment to details of the initial conditions have been performed. These variations have included increasing the fluid densities (by modifying the plate material from Al to Ti and Cu), imposing sinusoidal seed perturbations on the plate, and directly modifying the plate's intrinsic surface roughness. Radiography of the unseeded layer has revealed the presence of emergent Kelvin-Helmholtz structures which may be analyzed to infer fluid-mechanical properties including turbulent energy density. This work is conducted by the US DOE by LANL under contract DE-0AC52-06NA25396. This abstract is LA-UR-16-24930.

  5. The topology of the Coulomb potential density. A comparison with the electron density, the virial energy density, and the Ehrenfest force density.

    PubMed

    Ferreira, Lizé-Mari; Eaby, Alan; Dillen, Jan

    2017-12-15

    The topology of the Coulomb potential density has been studied within the context of the theory of Atoms in Molecules and has been compared with the topologies of the electron density, the virial energy density and the Ehrenfest force density. The Coulomb potential density is found to be mainly structurally homeomorphic with the electron density. The Coulomb potential density reproduces the non-nuclear attractor which is observed experimentally in the molecular graph of the electron density of a Mg dimer, thus, for the first time ever providing an alternative and energetic foundation for the existence of this critical point. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  6. 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.

  7. An exposition on Friedmann cosmology with negative energy densities

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

    Nemiroff, Robert J.; Joshi, Ravi; Patla, Bijunath R., E-mail: nemiroff@mtu.edu, E-mail: rjoshimtu@gmail.com, E-mail: bijunath.patla@nist.gov

    2015-06-01

    How would negative energy density affect a classic Friedmann cosmology? Although never measured and possibly unphysical, certain realizations of quantum field theories leaves the door open for such a possibility. In this paper we analyze the evolution of a universe comprising varying amounts of negative energy forms. Negative energy components have negative normalized energy densities, Ω < 0. They include negative phantom energy with an equation of state parameter w < −1, negative cosmological constant: w=−1, negative domain walls: w = −2/3, negative cosmic strings: w=−1/3, negative mass: w = 0, negative radiation: w = 1/3 and negative ultralight: w > 1/3. Assuming that such energy forms generate pressure like perfect fluids,more » the attractive or repulsive nature of negative energy components are reviewed. The Friedmann equation is satisfied only when negative energy forms are coupled to a greater magnitude of positive energy forms or positive curvature. We show that the solutions exhibit cyclic evolution with bounces and turnovers.The future and fate of such universes in terms of curvature, temperature, acceleration, and energy density are reviewed. The end states are dubbed ''big crunch,' '' big void,' or ''big rip' and further qualified as ''warped',''curved', or ''flat',''hot' versus ''cold', ''accelerating' versus ''decelerating' versus ''coasting'. A universe that ends by contracting to zero energy density is termed ''big poof.' Which contracting universes ''bounce' in expansion and which expanding universes ''turnover' into contraction are also reviewed.« less

  8. 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

  9. Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

    NASA Astrophysics Data System (ADS)

    Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

    2018-06-01

    A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

  10. Development of a High Energy Density Capacitor for Plasma Thrusters.

    DTIC Science & Technology

    1980-10-01

    AD-A091 839 MAXWELL LAOS INC SAN DIEGO CA FIG 81/3 DEVELOPMENT OF A HIGH ENERGY DENSITY CAPACITOR FOR PLASMA THRUS--ETC(U) OCT 80 A RAMRUS FO*611-77...of the program was the investigation of certain capacitor impregnants and their influence on high energy density capacitors which are employed in...PERIOD 1704,60~ 13 DEVELOPMENT OF A HIGH ENERGY DENSITY CAPA- Final Technical Report CITOR FOR PLASMA THRUSTERS July 1977 - May 1980 6 PERFORMING

  11. Density Functional Methods for Shock Physics and High Energy Density Science

    NASA Astrophysics Data System (ADS)

    Desjarlais, Michael

    2017-06-01

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

  12. Fifth International Conference on High Energy Density Physics

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

    Beg, Farhat

    The Fifth International Conference on High Energy Density Physics (ICHED 2015) was held in the Catamaran Hotel in San Diego from August 23-27, 2015. This meeting was the fifth in a series which began in 2008 in conjunction with the April meeting of the American Physical Society (APS). The main goal of this conference has been to bring together researchers from all fields of High Energy Density Science (HEDS) into one, unified meeting.

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

    PubMed

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

    2018-05-16

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

  14. 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

  15. 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

  16. High energy density capacitors for low cost applications

    NASA Astrophysics Data System (ADS)

    Iyore, Omokhodion David

    Polyvinylidene fluoride (PVDF) and its copolymers with trifluoroethylene, hexafluoropropylene and chlorotrifluoroethylene are the most widely investigated ferroelectric polymers, due to their relatively high electromechanical properties and potential to achieve high energy density. [Bauer, 2010; Zhou et al., 2009] The research community has focused primarily on melt pressed or extruded films of PVDF-based polymers to obtain the highest performance with energy density up to 25 Jcm-3. [Zhou et al., 2009] Solution processing offers an inexpensive, low temperature alternative, which is also easily integrated with flexible electronics. This dissertation focuses on the fabrication of solution-based polyvinylidene fluoride-hexafluoropropylene metal-insulator-metal capacitors on flexible substrates using a photolithographic process. Capacitors were optimized for maximum energy density, high dielectric strength and low leakage current density. It is demonstrated that with the right choice of solvent, electrodes, spin-casting and annealing conditions, high energy density thin film capacitors can be fabricated repeatably and reproducibly. The high electric field dielectric constants were measured and the reliabilities of the polymer capacitors were also evaluated via time-zero breakdown and time-dependent breakdown techniques. Chapter 1 develops the motivation for this work and provides a theoretical overview of dielectric materials, polarization, leakage current and dielectric breakdown. Chapter 2 is a literature review of polymer-based high energy density dielectrics and covers ferroelectric polymers, highlighting PVDF and some of its derivatives. Chapter 3 summarizes some preliminary experimental work and presents materials and electrical characterization that support the rationale for materials selection and process development. Chapter 4 discusses the fabrication of solution-processed PVDF-HFP and modification of its properties by photo-crosslinking. It is followed by a

  17. 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.

  18. Anti-Ferroelectric Ceramics for High Energy Density Capacitors.

    PubMed

    Chauhan, Aditya; Patel, Satyanarayan; Vaish, Rahul; Bowen, Chris R

    2015-11-25

    With an ever increasing dependence on electrical energy for powering modern equipment and electronics, research is focused on the development of efficient methods for the generation, storage and distribution of electrical power. In this regard, the development of suitable dielectric based solid-state capacitors will play a key role in revolutionizing modern day electronic and electrical devices. Among the popular dielectric materials, anti-ferroelectrics (AFE) display evidence of being a strong contender for future ceramic capacitors. AFE materials possess low dielectric loss, low coercive field, low remnant polarization, high energy density, high material efficiency, and fast discharge rates; all of these characteristics makes AFE materials a lucrative research direction. However, despite the evident advantages, there have only been limited attempts to develop this area. This article attempts to provide a focus to this area by presenting a timely review on the topic, on the relevant scientific advancements that have been made with respect to utilization and development of anti-ferroelectric materials for electric energy storage applications. The article begins with a general introduction discussing the need for high energy density capacitors, the present solutions being used to address this problem, and a brief discussion of various advantages of anti-ferroelectric materials for high energy storage applications. This is followed by a general description of anti-ferroelectricity and important anti-ferroelectric materials. The remainder of the paper is divided into two subsections, the first of which presents various physical routes for enhancing the energy storage density while the latter section describes chemical routes for enhanced storage density. This is followed by conclusions and future prospects and challenges which need to be addressed in this particular field.

  19. Anti-Ferroelectric Ceramics for High Energy Density Capacitors

    PubMed Central

    Chauhan, Aditya; Patel, Satyanarayan; Vaish, Rahul; Bowen, Chris R.

    2015-01-01

    With an ever increasing dependence on electrical energy for powering modern equipment and electronics, research is focused on the development of efficient methods for the generation, storage and distribution of electrical power. In this regard, the development of suitable dielectric based solid-state capacitors will play a key role in revolutionizing modern day electronic and electrical devices. Among the popular dielectric materials, anti-ferroelectrics (AFE) display evidence of being a strong contender for future ceramic capacitors. AFE materials possess low dielectric loss, low coercive field, low remnant polarization, high energy density, high material efficiency, and fast discharge rates; all of these characteristics makes AFE materials a lucrative research direction. However, despite the evident advantages, there have only been limited attempts to develop this area. This article attempts to provide a focus to this area by presenting a timely review on the topic, on the relevant scientific advancements that have been made with respect to utilization and development of anti-ferroelectric materials for electric energy storage applications. The article begins with a general introduction discussing the need for high energy density capacitors, the present solutions being used to address this problem, and a brief discussion of various advantages of anti-ferroelectric materials for high energy storage applications. This is followed by a general description of anti-ferroelectricity and important anti-ferroelectric materials. The remainder of the paper is divided into two subsections, the first of which presents various physical routes for enhancing the energy storage density while the latter section describes chemical routes for enhanced storage density. This is followed by conclusions and future prospects and challenges which need to be addressed in this particular field. PMID:28793694

  20. Density-functional energy gaps of solids demystified

    NASA Astrophysics Data System (ADS)

    Perdew, John P.; Ruzsinszky, Adrienn

    2018-06-01

    The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

  1. Energy density in the Maxwell-Chern-Simons theory

    NASA Astrophysics Data System (ADS)

    Wesolowski, Denne; Hosotani, Yutaka; Chakravarty, Sumantra

    1994-12-01

    A two-dimensional nonrelativistic fermion system coupled to both electromagnetic gauge fields and Chern-Simons gauge fields is analyzed. Polarization tensors relevant in the quantum Hall effect and anyon superconductivity are obtained as simple closed integrals and are evaluated numerically for all momenta and frequencies. The correction to the energy density is evaluated in the random phase approximation (RPA) by summing an infinite series of ring diagrams. It is found that the correction has significant dependence on the particle number density. In the context of anyon superconductivity, the energy density relative to the mean field value is minimized at a hole concentration per lattice plaquette (0.05-0.06)(pca/ħ)2 where pc and a are the momentum cutoff and lattice constant, respectively. At the minimum the correction is about -5% to -25%, depending on the ratio 2mwc/p2c where wc is the frequency cutoff. In the Jain-Fradkin-Lopez picture of the fractional quantum Hall effect the RPA correction to the energy density is very large. It diverges logarithmically as the cutoff is removed, implying that corrections beyond RPA become important at large momentum and frequency.

  2. 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.

  3. Probing the nuclear symmetry energy at high densities with nuclear reactions

    NASA Astrophysics Data System (ADS)

    Leifels, Y.

    2017-11-01

    The nuclear equation of state is a topic of highest current interest in nuclear structure and reactions as well as in astrophysics. The symmetry energy is the part of the equation of state which is connected to the asymmetry in the neutron/proton content. During recent years a multitude of experimental and theoretical efforts on different fields have been undertaken to constraint its density dependence at low densities but also above saturation density (ρ_0=0.16 fm ^{-3} . Conventionally the symmetry energy is described by its magnitude S_v and the slope parameter L , both at saturation density. Values of L = 44 -66MeV and S_v=31 -33MeV have been deduced in recent compilations of nuclear structure, heavy-ion reaction and astrophysics data. Apart from astrophysical data on mass and radii of neutron stars, heavy-ion reactions at incident energies of several 100MeV are the only means do access the high density behaviour of the symmetry energy. In particular, meson production and collective flows upto about 1 AGeV are predicted to be sensitive to the slope of the symmetry energy as a function of density. From the measurement of elliptic flow of neutrons with respect to charged particles at GSI, a more stringent constraint for the slope of the symmetry energy at supra-saturation densities has been deduced. Future options to reach even higher densities will be discussed.

  4. A Low-Cost Neutral Zinc-Iron Flow Battery with High Energy Density for Stationary Energy Storage.

    PubMed

    Xie, Congxin; Duan, Yinqi; Xu, Wenbin; Zhang, Huamin; Li, Xianfeng

    2017-11-20

    Flow batteries (FBs) are one of the most promising stationary energy-storage devices for storing renewable energy. However, commercial progress of FBs is limited by their high cost and low energy density. A neutral zinc-iron FB with very low cost and high energy density is presented. By using highly soluble FeCl 2 /ZnBr 2 species, a charge energy density of 56.30 Wh L -1 can be achieved. DFT calculations demonstrated that glycine can combine with iron to suppress hydrolysis and crossover of Fe 3+ /Fe 2+ . The results indicated that an energy efficiency of 86.66 % can be obtained at 40 mA cm -2 and the battery can run stably for more than 100 cycles. Furthermore, a low-cost porous membrane was employed to lower the capital cost to less than $ 50 per kWh, which was the lowest value that has ever been reported. Combining the features of low cost, high energy density and high energy efficiency, the neutral zinc-iron FB is a promising candidate for stationary energy-storage applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. The economics of obesity: dietary energy density and energy cost.

    PubMed

    Drewnowski, Adam; Darmon, Nicole

    2005-07-01

    Highest rates of obesity and diabetes in the United States are found among the lower-income groups. The observed links between obesity and socioeconomic position may be related to dietary energy density and energy cost. Refined grains, added sugars, and added fats are among the lowest-cost sources of dietary energy. They are inexpensive, good tasting, and convenient. In contrast, the more nutrient-dense lean meats, fish, fresh vegetables, and fruit generally cost more. An inverse relationship between energy density of foods (kilojoules per gram) and their energy cost (dollars per megajoule) means that the more energy-dense diets are associated with lower daily food consumption costs and may be an effective way to save money. However, economic decisions affecting food choice may have physiologic consequences. Laboratory studies suggest that energy-dense foods and energy-dense diets have a lower satiating power and may result in passive overeating and therefore weight gain. Epidemiologic analyses suggest that the low-cost energy-dense diets also tend to be nutrient poor. If the rise in obesity rates is related to the growing price disparity between healthy and unhealthy foods, then the current strategies for obesity prevention may need to be revised. Encouraging low-income families to consume healthier but more costly foods to prevent future disease can be construed as an elitist approach to public health. Limiting access to inexpensive foods through taxes on frowned upon fats and sweets is a regressive measure. The broader problem may lie with growing disparities in incomes and wealth, declining value of the minimum wage, food imports, tariffs, and trade. Evidence is emerging that obesity in America is a largely economic issue.

  6. High Energy Density Regenerative Fuel Cell Systems for Terrestrial Applications

    NASA Technical Reports Server (NTRS)

    Burke, Kenneth A.

    1999-01-01

    Regenerative Fuel Cell System (RFCS) technology for energy storage has been a NASA power system concept for many years. Compared to battery-based energy storage systems, RFCS has received relatively little attention or resources for development because the energy density and electrical efficiency were not sufficiently attractive relative to advanced battery systems. Even today, RFCS remains at a very low technology readiness level (TRL of about 2 indicating feasibility has been demonstrated). Commercial development of the Proton Exchange Membrane (PEM) fuel cells for automobiles and other terrestrial applications and improvements in lightweight pressure vessel design to reduce weight and improve performance make possible a high energy density RFCS energy storage system. The results from this study of a lightweight RFCS energy storage system for a remotely piloted, solar-powered, high altitude aircraft indicate an energy density up to 790 w-h/kg with electrical efficiency of 53.4% is attainable. Such an energy storage system would allow a solar-powered aircraft to carry hundreds of kilograms of payload and remain in flight indefinitely for use in atmospheric research, earth observation, resource mapping. and telecommunications. Future developments in the areas of hydrogen and oxygen storage, pressure vessel design, higher temperature and higher- pressure fuel cell operation, unitized regenerative fuel cells, and commercial development of fuel cell technology will improve both the energy density and electrical efficiency of the RFCS.

  7. 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.

  8. Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.

    PubMed

    Grofe, Adam; Chen, Xin; Liu, Wenjian; Gao, Jiali

    2017-10-05

    Kohn-Sham density functional theory has been tremendously successful in chemistry and physics. Yet, it is unable to describe the energy degeneracy of spin-multiplet components with any approximate functional. This work features two contributions. (1) We present a multistate density functional theory (MSDFT) to represent spin-multiplet components and to determine multiplet energies. MSDFT is a hybrid approach, taking advantage of both wave function theory and density functional theory. Thus, the wave functions, electron densities and energy density-functionals for ground and excited states and for different components are treated on the same footing. The method is illustrated on valence excitations of atoms and molecules. (2) Importantly, a key result is that for cases in which the high-spin components can be determined separately by Kohn-Sham density functional theory, the transition density functional in MSDFT (which describes electronic coupling) can be defined rigorously. The numerical results may be explored to design and optimize transition density functionals for configuration coupling in multiconfigurational DFT.

  9. High energy density aluminum battery

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

    Brown, Gilbert M.; Parans Paranthaman, Mariappan; Dai, Sheng

    Compositions and methods of making are provided for a high energy density lithium-aluminum battery. The battery comprises an anode comprising aluminum metal. The battery further comprises a cathode comprising a lithium metal oxide. The battery further comprises an electrolyte capable of supporting reversible deposition and stripping of aluminum at the anode, and reversible intercalation and deintercalation of lithium at the cathode.

  10. Modifying Current Collectors to Produce High Volumetric Energy Density and Power Density Storage Devices.

    PubMed

    Khani, Hadi; Dowell, Timothy J; Wipf, David O

    2018-06-27

    We develop zirconium-templated NiO/NiOOH nanosheets on nickel foam and polypyrrole-embedded in exfoliated carbon fiber cloth as complementary electrodes for an asymmetric battery-type supercapacitor device. We achieve high volumetric energy and power density by the modification of commercially available current collectors (CCs). The modified CCs provide the source of active material, actively participate in the charge storage process, provide a larger surface area for active material loading, need no additional binders or conductive additives, and retain the ability to act as the CC. Nickel foam (NF) CCs are modified by use of a soft-templating/solvothermal treatment to generate NiO/NiOOH nanosheets, where the NF is the source of Ni for the synthesis. Carbon-fiber cloth (CFC) CCs are modified by an electrochemical oxidation/reduction process to generate exfoliated core-shell structures (ECFC). Electropolymerization of pyrrole into the shell structure produces polypyrrole embedded in exfoliated core-shell material (PPy@rECFC). Battery-type supercapacitor devices are produced with NiO/NiOOH@NF and PPy@rECFC as positive and negative electrodes, respectively, to demonstrate the utility of this approach. Volumetric energy densities for the full-cell device are in the range of 2.60-4.12 mWh cm -3 with corresponding power densities in the range of 9.17-425.58 mW cm -3 . This is comparable to thin-film lithium-ion batteries (0.3-10 mWh cm -3 ) and better than some commercial supercapacitors (<1 mWh cm -3 ). 1 The energy and power density is impressive considering that it was calculated using the entire cell volume (active materials, separator, and both CCs). The full-cell device is highly stable, retaining 96% and 88% of capacity after 2000 and 5000 cycles, respectively. These results demonstrate the utility of directly modifying the CCs and suggest a new method to produce high volumetric energy density and power density storage devices.

  11. Microscopically based energy density functionals for nuclei using the density matrix expansion. II. Full optimization and validation

    NASA Astrophysics Data System (ADS)

    Navarro Pérez, R.; Schunck, N.; Dyhdalo, A.; Furnstahl, R. J.; Bogner, S. K.

    2018-05-01

    Background: Energy density functional methods provide a generic framework to compute properties of atomic nuclei starting from models of nuclear potentials and the rules of quantum mechanics. Until now, the overwhelming majority of functionals have been constructed either from empirical nuclear potentials such as the Skyrme or Gogny forces, or from systematic gradient-like expansions in the spirit of the density functional theory for atoms. Purpose: We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. Methods: Our energy functional comprises two main components. The first component is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. Contributions to the mean field and the energy of this term are computed by expanding the spatial, finite-range components of the chiral potential onto Gaussian functions. The second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. Results: We obtain a set of microscopically constrained functionals for local chiral potentials from leading order up to next-to-next-to-leading order with and without three-body forces and contributions from Δ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure

  12. 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.

  13. Interfacially Optimized, High Energy Density Nanoparticle-Polymer Composites for Capacitive Energy Storage

    NASA Astrophysics Data System (ADS)

    Shipman, Joshua; Riggs, Brian; Luo, Sijun; Adireddy, Shiva; Chrisey, Douglas

    Energy storage is a green energy technology, however it must be cost effective and scalable to meet future energy demands. Polymer-nanoparticle composites are low cost and potentially offer high energy storage. This is based on the high breakdown strength of polymers and the high dielectric constant of ceramic nanoparticles, but the incoherent nature of the interface between the two components prevents the realization of their combined full potential. We have created inkjet printable nanoparticle-polymer composites that have mitigated many of these interface effects, guided by first principle modelling of the interface. We detail density functional theory modelling of the interface and how it has guided our use in in specific surface functionalizations and other inorganic layers. We have validated our approach by using finite element analysis of the interface. By choosing the correct surface functionalization we are able to create dipole traps which further increase the breakdown strength of our composites. Our nano-scale understanding has allowed us to create the highest energy density composites currently available (>40 J/cm3).

  14. A Dual-Stimuli-Responsive Sodium-Bromine Battery with Ultrahigh Energy Density.

    PubMed

    Wang, Faxing; Yang, Hongliu; Zhang, Jian; Zhang, Panpan; Wang, Gang; Zhuang, Xiaodong; Cuniberti, Gianaurelio; Feng, Xinliang

    2018-06-01

    Stimuli-responsive energy storage devices have emerged for the fast-growing popularity of intelligent electronics. However, all previously reported stimuli-responsive energy storage devices have rather low energy densities (<250 Wh kg -1 ) and single stimuli-response, which seriously limit their application scopes in intelligent electronics. Herein, a dual-stimuli-responsive sodium-bromine (Na//Br 2 ) battery featuring ultrahigh energy density, electrochromic effect, and fast thermal response is demonstrated. Remarkably, the fabricated Na//Br 2 battery exhibits a large operating voltage of 3.3 V and an energy density up to 760 Wh kg -1 , which outperforms those for the state-of-the-art stimuli-responsive electrochemical energy storage devices. This work offers a promising approach for designing multi-stimuli-responsive and high-energy rechargeable batteries without sacrificing the electrochemical performance. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. The relationship between dietary energy density and energy intake

    PubMed Central

    Rolls, Barbara J.

    2014-01-01

    Much of the research in ingestive behavior has focused on the macronutrient composition of foods; however, these studies are incomplete, or could be misleading, if they do not consider the energy density (ED) of the diet under investigation. Lowering the ED (kcal/g) by increasing the volume of preloads without changing macronutrient content can enhance satiety and reduce subsequent energy intake at a meal. Ad libitum intake or satiation has also been shown to be influenced by ED when the proportions of macronutrients are constant. Since people tend to eat a consistent weight of food, when the ED of the available foods is reduced, energy intake is reduced. The effects of ED have been seen in adults of different weight status, sex, and behavioral characteristics, as well as in 3- to 5-year-old children. The mechanisms underlying the response to variations in ED are not yet well understood and data from controlled studies lasting more than several days are limited. However, both population-based studies and long-term clinical trials indicate that the effects of dietary ED can be persistent. Several clinical trials have shown that reducing the ED of the diet by the addition of water-rich foods such as fruits and vegetables was associated with substantial weight loss even when patients were not told to restrict calories. Since lowering dietary energy density could provide effective strategies for the prevention and treatment of obesity, there is a need for more studies of mechanisms underlying the effect and ways to apply these findings. PMID:19303887

  16. 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.

  17. Hybrid system for rechargeable magnesium battery with high energy density

    NASA Astrophysics Data System (ADS)

    Chang, Zheng; Yang, Yaqiong; Wang, Xiaowei; Li, Minxia; Fu, Zhengwen; Wu, Yuping; Holze, Rudolf

    2015-07-01

    One of the main challenges of electrical energy storage (EES) is the development of environmentally friendly battery systems with high safety and high energy density. Rechargeable Mg batteries have been long considered as one highly promising system due to the use of low cost and dendrite-free magnesium metal. The bottleneck for traditional Mg batteries is to achieve high energy density since their output voltage is below 2.0 V. Here, we report a magnesium battery using Mg in Grignard reagent-based electrolyte as the negative electrode, a lithium intercalation compound in aqueous solution as the positive electrode, and a solid electrolyte as a separator. Its average discharge voltage is 2.1 V with stable discharge platform and good cycling life. The calculated energy density based on the two electrodes is high. These findings open another door to rechargeable magnesium batteries.

  18. Hybrid system for rechargeable magnesium battery with high energy density

    PubMed Central

    Chang, Zheng; Yang, Yaqiong; Wang, Xiaowei; Li, Minxia; Fu, Zhengwen; Wu, Yuping; Holze, Rudolf

    2015-01-01

    One of the main challenges of electrical energy storage (EES) is the development of environmentally friendly battery systems with high safety and high energy density. Rechargeable Mg batteries have been long considered as one highly promising system due to the use of low cost and dendrite-free magnesium metal. The bottleneck for traditional Mg batteries is to achieve high energy density since their output voltage is below 2.0 V. Here, we report a magnesium battery using Mg in Grignard reagent-based electrolyte as the negative electrode, a lithium intercalation compound in aqueous solution as the positive electrode, and a solid electrolyte as a separator. Its average discharge voltage is 2.1 V with stable discharge platform and good cycling life. The calculated energy density based on the two electrodes is high. These findings open another door to rechargeable magnesium batteries. PMID:26173624

  19. Trivial constraints on orbital-free kinetic energy density functionals

    NASA Astrophysics Data System (ADS)

    Luo, Kai; Trickey, S. B.

    2018-03-01

    Approximate kinetic energy density functionals (KEDFs) are central to orbital-free density functional theory. Limitations on the spatial derivative dependencies of KEDFs have been claimed from differential virial theorems. We identify a central defect in the argument: the relationships are not true for an arbitrary density but hold only for the minimizing density and corresponding chemical potential. Contrary to the claims therefore, the relationships are not constraints and provide no independent information about the spatial derivative dependencies of approximate KEDFs. A simple argument also shows that validity for arbitrary v-representable densities is not restored by appeal to the density-potential bijection.

  20. High Energy Density Physics and Exotic Acceleration Schemes

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

    Cowan, T.; /General Atomics, San Diego; Colby, E.

    2005-09-27

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

  1. Excitation energies of molecules within time-independent density functional theory

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

    Hemanadhan, M., E-mail: hemanadh@iitk.ac.in; Harbola, Manoj K., E-mail: hemanadh@iitk.ac.in

    2014-04-24

    Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N{sub 2} and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N{sub 2} molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

  2. Excitation energies of molecules within time-independent density functional theory

    NASA Astrophysics Data System (ADS)

    Hemanadhan, M.; Harbola, Manoj K.

    2014-04-01

    Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N2 and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N2 molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

  3. 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)

  4. Energy density and energy flow of plasmonic waves in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Moradi, Afshin

    2017-07-01

    The propagation of plasmonic waves in bilayer graphene is studied based on the classical electrodynamics. The interactions between conduction electrons confined to move on the surface of each layer are taken into account via the two-dimensional linearized hydrodynamic model. The energy theorem of electrodynamics is cast in a form which yields expressions for energy density and energy flow of p-polarized surface plasmon polariton waves in bilayer graphene. Numerical results show that the presence of two layers causes the appearance of two branches in the dispersion relation that introduce alterations in the physical behavior of the energy, power flow and the energy transport velocity, in comparison with the results of monolayer graphene.

  5. Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery

    DOE PAGES

    Li, Bin; Nie, Zimin; Vijayakumar, M.; ...

    2015-02-24

    Large-scale energy storage systems are crucial for substantial deployment of renewable energy sources. Energy storage systems with high energy density, high safety, and low cost and environmental friendliness are desired. To overcome the major limitations of the current aqueous redox flow battery systems, namely lower energy density (~25 Wh L -1) and presence of strong acids and/or other hazardous, a high energy density aqueous zinc/polyiodide flow battery (ZIB) is designed with near neutral ZnI 2 solutions as catholytes. The energy density of ZIB could reach 322 Wh L -1 at the solubility limit of ZnI 2 in water (~7 M).more » We demonstrate charge and discharge energy densities of 245.9 Wh/L and 166.7 Wh L-1 with ZnI 2 electrolyte at 5.0 M, respectively. The addition of ethanol (EtOH) in ZnI 2 electrolyte can effectively mitigate the growth of zinc dendrite at the anode and improve the stability of catholytes with wider temperature window (-20 to 50°C), which enable ZIB system to be a promising alternative as a high-energy and high- safety stationary energy storage system.« less

  6. Internal wave energy flux from density perturbations in nonlinear stratifications

    NASA Astrophysics Data System (ADS)

    Lee, Frank M.; Allshouse, Michael R.; Swinney, Harry L.; Morrison, P. J.

    2017-11-01

    Tidal flow over the topography at the bottom of the ocean, whose density varies with depth, generates internal gravity waves that have a significant impact on the energy budget of the ocean. Thus, understanding the energy flux (J = p v) is important, but it is difficult to measure simultaneously the pressure and velocity perturbation fields, p and v . In a previous work, a Green's-function-based method was developed to calculate the instantaneous p, v , and thus J , given a density perturbation field for a constant buoyancy frequency N. Here we extend the previous analytic Green's function work to include nonuniform N profiles, namely the tanh-shaped and linear cases, because background density stratifications that occur in the ocean and some experiments are nonlinear. In addition, we present a finite-difference method for the general case where N has an arbitrary profile. Each method is validated against numerical simulations. The methods we present can be applied to measured density perturbation data by using our MATLAB graphical user interface EnergyFlux. PJM was supported by the U.S. Department of Energy Contract DE-FG05-80ET-53088. HLS and MRA were supported by ONR Grant No. N000141110701.

  7. High energy density aluminum-oxygen cell

    NASA Technical Reports Server (NTRS)

    Rudd, E. J.; Gibbons, D. W.

    1993-01-01

    An alternative to a secondary battery as the power source for vehicle propulsion is a fuel cell. An example of this is the metal-air fuel cell using metals such as aluminum, zinc, or iron. Aluminum is a particularly attractive candidate, having high energy and power densities, being environmentally acceptable, and having a large, established industrial base for production and distribution. An aluminum-oxygen system is currently under development for a UUV test vehicle, and recent work has focussed upon low corrosion aluminum alloys and an electrolyte management system for processing the by-products of the energy-producing reactions. This paper summarizes the progress made in both areas. Anode materials capable of providing high utilization factors over current densities ranging from S to 150 mA/sq cm have been identified. These materials are essential to realizing an acceptable mission life for the UUV. With respect to the electrolyte management system, a filter/precipitator unit has been successfully operated for over 250 hours in a large scale, half-cell system.

  8. Knot soliton in DNA and geometric structure of its free-energy density.

    PubMed

    Wang, Ying; Shi, Xuguang

    2018-03-01

    In general, the geometric structure of DNA is characterized using an elastic rod model. The Landau model provides us a new theory to study the geometric structure of DNA. By using the decomposition of the arc unit in the helical axis of DNA, we find that the free-energy density of DNA is similar to the free-energy density of a two-condensate superconductor. By using the φ-mapping topological current theory, the torus knot soliton hidden in DNA is demonstrated. We show the relation between the geometric structure and free-energy density of DNA and the Frenet equations in differential geometry theory are considered. Therefore, the free-energy density of DNA can be expressed by the curvature and torsion of the helical axis.

  9. Talbot-Lau x-ray deflectometry phase-retrieval methods for electron density diagnostics in high-energy density experiments.

    PubMed

    Valdivia, Maria Pia; Stutman, Dan; Stoeckl, Christian; Mileham, Chad; Begishev, Ildar A; Bromage, Jake; Regan, Sean P

    2018-01-10

    Talbot-Lau x-ray interferometry uses incoherent x-ray sources to measure refraction index changes in matter. These measurements can provide accurate electron density mapping through phase retrieval. An adaptation of the interferometer has been developed in order to meet the specific requirements of high-energy density experiments. This adaptation is known as a moiré deflectometer, which allows for single-shot capabilities in the form of interferometric fringe patterns. The moiré x-ray deflectometry technique requires a set of object and reference images in order to provide electron density maps, which can be costly in the high-energy density environment. In particular, synthetic reference phase images obtained ex situ through a phase-scan procedure, can provide a feasible solution. To test this procedure, an object phase map was retrieved from a single-shot moiré image obtained from a plasma-produced x-ray source. A reference phase map was then obtained from phase-stepping measurements using a continuous x-ray tube source in a small laboratory setting. The two phase maps were used to retrieve an electron density map. A comparison of the moiré and phase-stepping phase-retrieval methods was performed to evaluate single-exposure plasma electron density mapping for high-energy density and other transient plasma experiments. It was found that a combination of phase-retrieval methods can deliver accurate refraction angle mapping. Once x-ray backlighter quality is optimized, the ex situ method is expected to deliver electron density mapping with improved resolution. The steps necessary for improved diagnostic performance are discussed.

  10. Nanocomposites with increased energy density through high aspect ratio PZT nanowires.

    PubMed

    Tang, Haixiong; Lin, Yirong; Andrews, Clark; Sodano, Henry A

    2011-01-07

    High energy storage plays an important role in the modern electric industry. Herein, we investigated the role of filler aspect ratio in nanocomposites for energy storage. Nanocomposites were synthesized using lead zirconate titanate (PZT) with two different aspect ratio (nanowires, nanorods) fillers at various volume fractions dispersed in a polyvinylidene fluoride (PVDF) matrix. The permittivity constants of composites containing nanowires (NWs) were higher than those with nanorods (NRs) at the same inclusion volume fraction. It was also indicated that the high frequency loss tangent of samples with PZT nanowires was smaller than for those with nanorods, demonstrating the high electrical energy storage efficiency of the PZT NW nanocomposite. The high aspect ratio PZT NWs showed a 77.8% increase in energy density over the lower aspect ratio PZT NRs, under an electric field of 15 kV mm(-1) and 50% volume fraction. The breakdown strength was found to decrease with the increasing volume fraction of PZT NWs, but to only change slightly from a volume fraction of around 20%-50%. The maximum calculated energy density of nanocomposites is as high as 1.158 J cm(-3) at 50% PZT NWs in PVDF. Since the breakdown strength is lower compared to a PVDF copolymer such as poly(vinylidene fluoride-tertrifluoroethylene-terchlorotrifluoroethylene) P(VDF-TreEE-CTFE) and poly(vinylidene fluoride-co-hexafluoropropylene) P(VDF-HFP), the energy density of the nanocomposite could be significantly increased through the use of PZT NWs and a polymer with greater breakdown strength. These results indicate that higher aspect ratio fillers show promising potential to improve the energy density of nanocomposites, leading to the development of advanced capacitors with high energy density.

  11. KIDS Nuclear Energy Density Functional: 1st Application in Nuclei

    NASA Astrophysics Data System (ADS)

    Gil, Hana; Papakonstantinou, Panagiota; Hyun, Chang Ho; Oh, Yongseok

    We apply the KIDS (Korea: IBS-Daegu-Sungkyunkwan) nuclear energy density functional model, which is based on the Fermi momentum expansion, to the study of properties of lj-closed nuclei. The parameters of the model are determined by the nuclear properties at the saturation density and theoretical calculations on pure neutron matter. For applying the model to the study of nuclei, we rely on the Skyrme force model, where the Skyrme force parameters are determined through the KIDS energy density functional. Solving Hartree-Fock equations, we obtain the energies per particle and charge radii of closed magic nuclei, namely, 16O, 28O, 40Ca, 48Ca, 60Ca, 90Zr, 132Sn, and 208Pb. The results are compared with the observed data and further improvement of the model is shortly mentioned.

  12. TEMPO-based catholyte for high-energy density nonaqueous redox flow batteries.

    PubMed

    Wei, Xiaoliang; Xu, Wu; Vijayakumar, Murugesan; Cosimbescu, Lelia; Liu, Tianbiao; Sprenkle, Vincent; Wang, Wei

    2014-12-03

    A TEMPO-based non-aqueous electrolyte with the TEMPO concentration as high as 2.0 m is demonstrated as a high-energy-density catholyte for redox flow battery applications. With a hybrid anode, Li|TEMPO flow cells using this electrolyte deliver an energy efficiency of ca. 70% and an impressively high energy density of 126 W h L(-1) . © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery

    PubMed Central

    Li, Bin; Nie, Zimin; Vijayakumar, M.; Li, Guosheng; Liu, Jun; Sprenkle, Vincent; Wang, Wei

    2015-01-01

    Redox flow batteries are receiving wide attention for electrochemical energy storage due to their unique architecture and advantages, but progress has so far been limited by their low energy density (~25 Wh l−1). Here we report a high-energy density aqueous zinc-polyiodide flow battery. Using the highly soluble iodide/triiodide redox couple, a discharge energy density of 167 Wh l−1 is demonstrated with a near-neutral 5.0 M ZnI2 electrolyte. Nuclear magnetic resonance study and density functional theory-based simulation along with flow test data indicate that the addition of an alcohol (ethanol) induces ligand formation between oxygen on the hydroxyl group and the zinc ions, which expands the stable electrolyte temperature window to from −20 to 50 °C, while ameliorating the zinc dendrite. With the high-energy density and its benign nature free from strong acids and corrosive components, zinc-polyiodide flow battery is a promising candidate for various energy storage applications. PMID:25709083

  14. Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery.

    PubMed

    Li, Bin; Nie, Zimin; Vijayakumar, M; Li, Guosheng; Liu, Jun; Sprenkle, Vincent; Wang, Wei

    2015-02-24

    Redox flow batteries are receiving wide attention for electrochemical energy storage due to their unique architecture and advantages, but progress has so far been limited by their low energy density (~25 Wh l(-1)). Here we report a high-energy density aqueous zinc-polyiodide flow battery. Using the highly soluble iodide/triiodide redox couple, a discharge energy density of 167 Wh l(-1) is demonstrated with a near-neutral 5.0 M ZnI2 electrolyte. Nuclear magnetic resonance study and density functional theory-based simulation along with flow test data indicate that the addition of an alcohol (ethanol) induces ligand formation between oxygen on the hydroxyl group and the zinc ions, which expands the stable electrolyte temperature window to from -20 to 50 °C, while ameliorating the zinc dendrite. With the high-energy density and its benign nature free from strong acids and corrosive components, zinc-polyiodide flow battery is a promising candidate for various energy storage applications.

  15. Advanced intermediate temperature sodium-nickel chloride batteries with ultra-high energy density

    DOE PAGES

    Li, Guosheng; Lu, Xiaochuan; Kim, Jin Yong; ...

    2016-02-11

    Here we demonstrate for the first time that planar Na-NiCl 2 batteries can be operated at an intermediate temperature of 190°C with ultra-high energy density. A specific energy density of 350 Wh/kg, which is 3 times higher than that of conventional tubular Na-NiCl 2 batteries operated at 280°C, was obtained for planar Na-NiCl 2 batteries operated at 190°C over a long-term cell test (1000 cycles). The high energy density and superior cycle stability are attributed to the slower particle growth of the cathode materials (NaCl and Ni) at 190°C. The results reported in this work demonstrate that planar Na-NiCl 2more » batteries operated at an intermediate temperature could greatly benefit this traditional energy storage technology by improving battery energy density, cycle life and reducing material costs.« less

  16. Energy-dense fast food products cost less: an observational study of the energy density and energy cost of Australian fast foods.

    PubMed

    Wellard, Lyndal; Havill, Michelle; Hughes, Clare; Watson, Wendy L; Chapman, Kathy

    2015-12-01

    To examine the association between energy cost and energy density of fast food products. Twenty Sydney outlets of the five largest fast food chains were surveyed four times. Price and kilojoule data were collected for all limited-time-only menu items (n=54) and a sample of standard items (n=67). Energy cost ($/kilojoule) and energy density (kilojoules/gram) of menu items were calculated. There was a significant inverse relationship between menu item energy density and energy cost (p<0.001). Salads had the highest energy cost, while value items, meals that included a dessert and family meals had the lowest. Fast food chains could provide a wider range of affordable, lower-energy foods, use proportional pricing of larger serve sizes, or change defaults in meals to healthier options. More research is required to determine the most effective strategy to reduce the negative impact of fast food on the population's diet. Current pricing in the fast food environment may encourage unhealthier purchases. © 2015 Public Health Association of Australia.

  17. High energy density aluminum battery

    DOEpatents

    Brown, Gilbert M.; Paranthaman, Mariappan Parans; Dai, Sheng; Dudney, Nancy J.; Manthiram, Arumugan; McIntyre, Timothy J.; Sun, Xiao-Guang; Liu, Hansan

    2016-10-11

    Compositions and methods of making are provided for a high energy density aluminum battery. The battery comprises an anode comprising aluminum metal. The battery further comprises a cathode comprising a material capable of intercalating aluminum or lithium ions during a discharge cycle and deintercalating the aluminum or lithium ions during a charge cycle. The battery further comprises an electrolyte capable of supporting reversible deposition and stripping of aluminum at the anode, and reversible intercalation and deintercalation of aluminum or lithium at the cathode.

  18. An Electrochemical Capacitor with Applicable Energy Density of 7.4 Wh/kg at Average Power Density of 3000 W/kg.

    PubMed

    Zhai, Teng; Lu, Xihong; Wang, Hanyu; Wang, Gongming; Mathis, Tyler; Liu, Tianyu; Li, Cheng; Tong, Yexiang; Li, Yat

    2015-05-13

    Electrochemical capacitors represent a new class of charge storage devices that can simultaneously achieve high energy density and high power density. Previous reports have been primarily focused on the development of high performance capacitor electrodes. Although these electrodes have achieved excellent specific capacitance based on per unit mass of active materials, the gravimetric energy densities calculated based on the weight of entire capacitor device were fairly small. This is mainly due to the large mass ratio between current collector and active material. We aimed to address this issue by a 2-fold approach of minimizing the mass of current collector and increasing the electrode performance. Here we report an electrochemical capacitor using 3D graphene hollow structure as current collector, vanadium sulfide and manganese oxide as anode and cathode materials, respectively. 3D graphene hollow structure provides a lightweight and highly conductive scaffold for deposition of pseudocapacitive materials. The device achieves an excellent active material ratio of 24%. Significantly, it delivers a remarkable energy density of 7.4 Wh/kg (based on the weight of entire device) at the average power density of 3000 W/kg. This is the highest gravimetric energy density reported for asymmetric electrochemical capacitors at such a high power density.

  19. Lithium-Based High Energy Density Flow Batteries

    NASA Technical Reports Server (NTRS)

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

    2014-01-01

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

  20. 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.

  1. Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

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

    Kutzler, F.W.; Painter, G.S.

    1991-03-15

    The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

  2. Link between Food Energy Density and Body Weight Changes in Obese Adults

    PubMed Central

    Stelmach-Mardas, Marta; Rodacki, Tomasz; Dobrowolska-Iwanek, Justyna; Brzozowska, Anna; Walkowiak, Jarosław; Wojtanowska-Krosniak, Agnieszka; Zagrodzki, Paweł; Bechthold, Angela; Mardas, Marcin; Boeing, Heiner

    2016-01-01

    Regulating the energy density of food could be used as a novel approach for successful body weight reduction in clinical practice. The aim of this study was to conduct a systemic review of the literature on the relationship between food energy density and body weight changes in obese adults to obtain solid evidence supporting this approach. The search process was based on the selection of publications in the English language listed in public databases. A meta-analysis was performed to combine individual study results. Thirteen experimental and observational studies were identified and included in the final analysis. The analyzed populations consist of 3628 individuals aged 18 to 66 years. The studies varied greatly in terms of study populations, study design and applied dietary approaches. The meta-analysis revealed a significant association between low energy density foods and body weight reduction, i.e., −0.53 kg when low energy density foods were eaten (95% CI: −0.88, −0.19). In conclusions, this study adds evidence which supports the energy density of food as a simple but effective measure to manage weight in the obese with the aim of weight reduction. PMID:27104562

  3. Vortex-Density Fluctuations, Energy Spectra, and Vortical Regions in Superfluid Turbulence

    NASA Astrophysics Data System (ADS)

    Baggaley, Andrew W.; Laurie, Jason; Barenghi, Carlo F.

    2012-11-01

    Measurements of the energy spectrum and of the vortex-density fluctuation spectrum in superfluid turbulence seem to contradict each other. Using a numerical model, we show that at each instance of time the total vortex line density can be decomposed into two parts: one formed by metastable bundles of coherent vortices, and one in which the vortices are randomly oriented. We show that the former is responsible for the observed Kolmogorov energy spectrum, and the latter for the spectrum of the vortex line density fluctuations.

  4. Ultrahigh Energy Density in SrTiO3 Film Capacitors.

    PubMed

    Hou, Chuangming; Huang, Weichuan; Zhao, Wenbo; Zhang, Dalong; Yin, Yuewei; Li, Xiaoguang

    2017-06-21

    Solid-state dielectric film capacitors with high-energy-storage density will further promote advanced electronic devices and electrical power systems toward miniaturization, lightweight, and integration. In this study, the influence of interface and thickness on energy storage properties of SrTiO 3 (STO) films grown on La 0.67 Sr 0.33 MnO 3 (LSMO) electrode are systematically studied. The cross-sectional high resolution transmission electron microscopy reveals an ion interdiffusion layer and oxygen vacancies at the STO/LSMO interface. The capacitors show good frequency stability and increased dielectric constant with increasing STO thickness (410-710 nm). The breakdown strength (E b ) increases with decreasing STO thickness and reaches 6.8 MV/cm. Interestingly, the E b under positive field is enhanced significantly and an ultrahigh energy density up to 307 J/cm 3 with a high efficiency of 89% is realized. The enhanced E b may be related to the modulation of local electric field and redistribution of oxygen vacancies at the STO/LSMO interface. Our results should be helpful for potential strategies to design devices with ultrahigh energy density.

  5. Study of Volumetrically Heated Ultra-High Energy Density Plasmas

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

    Rocca, Jorge J.

    2016-10-27

    Heating dense matter to millions of degrees is important for applications, but requires complex and expensive methods. The major goal of the project was to demonstrate using a compact laser the creation of a new ultra-high energy density plasma regime characterized by simultaneous extremely high temperature and high density, and to study it combining experimental measurements and advanced simulations. We have demonstrated that trapping of intense femtosecond laser pulses deep within ordered nanowire arrays can heat near solid density matter into a new ultra hot plasma regime. Extreme electron densities, and temperatures of several tens of million degrees were achievedmore » using laser pulses of only 0.5 J energy from a compact laser. Our x-ray spectra and simulations showed that extremely highly ionized plasma volumes several micrometers in depth are generated by irradiation of gold and Nickel nanowire arrays with femtosecond laser pulses of relativistic intensities. We obtained extraordinarily high degrees of ionization (e.g. we peeled 52 electrons from gold atoms, and up to 26 electrons from nickel atoms). In the process we generated Gigabar pressures only exceeded in the central hot spot of highly compressed thermonuclear fusion plasmas.. The plasma created after the dissolved wires expand, collide, and thermalize, is computed to have a thermal energy density of 0.3 GJ cm -3 and a pressure of 1-2 Gigabar. These are pressures only exceeded in highly compressed thermonuclear fusion plasmas. Scaling these results to higher laser intensities promises to create plasmas with temperatures and pressures exceeding those in the center of the sun.« less

  6. Multilayer Lead-Free Ceramic Capacitors with Ultrahigh Energy Density and Efficiency.

    PubMed

    Li, Jinglei; Li, Fei; Xu, Zhuo; Zhang, Shujun

    2018-06-26

    The utilization of antiferroelectric (AFE) materials is thought to be an effective approach to enhance the energy density of dielectric capacitors. However, the high energy dissipation and inferior reliability that are associated with the antiferroelectric-ferroelectric phase transition are the main issues that restrict the applications of antiferroelectric ceramics. Here, simultaneously achieving high energy density and efficiency in a dielectric ceramic is proposed by combining antiferroelectric and relaxor features. Based on this concept, a lead-free dielectric (Na 0.5 Bi 0.5 )TiO 3 -x(Sr 0.7 Bi 0.2 )TiO 3 (NBT-xSBT) system is investigated and the corresponding multilayer ceramic capacitors (MLCCs) are fabricated. A record-high energy density of 9.5 J cm -3 , together with a high energy efficiency of 92%, is achieved in NBT-0.45SBT multilayer ceramic capacitors, which consist of ten dielectric layers with the single-layer thickness of 20 µm and the internal electrode area of 6.25 mm 2 . Furthermore, the newly developed capacitor exhibits a wide temperature usage range of -60 to 120 °C, with an energy-density variation of less than 10%, and satisfactory cycling reliability, with degradation of less than 8% over 10 6 cycles. These characteristics demonstrate that the NBT-0.45SBT multilayer ceramic is a promising candidate for high-power energy storage applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Cosmological constant problem and renormalized vacuum energy density in curved background

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

    Kohri, Kazunori; Matsui, Hiroki, E-mail: kohri@post.kek.jp, E-mail: matshiro@post.kek.jp

    The current vacuum energy density observed as dark energy ρ{sub dark}≅ 2.5×10{sup −47} GeV{sup 4} is unacceptably small compared with any other scales. Therefore, we encounter serious fine-tuning problem and theoretical difficulty to derive the dark energy. However, the theoretically attractive scenario has been proposed and discussed in literature: in terms of the renormalization-group (RG) running of the cosmological constant, the vacuum energy density can be expressed as ρ{sub vacuum}≅ m {sup 2} H {sup 2} where m is the mass of the scalar field and rather dynamical in curved spacetime. However, there has been no rigorous proof to derivemore » this expression and there are some criticisms about the physical interpretation of the RG running cosmological constant. In the present paper, we revisit the RG running effects of the cosmological constant and investigate the renormalized vacuum energy density in curved spacetime. We demonstrate that the vacuum energy density described by ρ{sub vacuum}≅ m {sup 2} H {sup 2} appears as quantum effects of the curved background rather than the running effects of cosmological constant. Comparing to cosmological observational data, we obtain an upper bound on the mass of the scalar fields to be smaller than the Planck mass, m ∼< M {sub Pl}.« less

  8. Spectroscopy of reflection-asymmetric nuclei with relativistic energy density functionals

    NASA Astrophysics Data System (ADS)

    Xia, S. Y.; Tao, H.; Lu, Y.; Li, Z. P.; Nikšić, T.; Vretenar, D.

    2017-11-01

    Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra, and transition rates in 14 isotopic chains: Xe, Ba, Ce, Nd, Sm, Gd, Rn, Ra, Th, U, Pu, Cm, Cf, and Fm, are systematically analyzed using a theoretical framework based on a quadrupole-octupole collective Hamiltonian (QOCH), with parameters determined by constrained reflection-asymmetric and axially symmetric relativistic mean-field calculations. The microscopic QOCH model based on the PC-PK1 energy density functional and δ -interaction pairing is shown to accurately describe the empirical trend of low-energy quadrupole and octupole collective states, and predicted spectroscopic properties are consistent with recent microscopic calculations based on both relativistic and nonrelativistic energy density functionals. Low-energy negative-parity bands, average octupole deformations, and transition rates show evidence for octupole collectivity in both mass regions, for which a microscopic mechanism is discussed in terms of evolution of single-nucleon orbitals with deformation.

  9. Plasma Disks and Rings with ``High'' Magnetic Energy Densities

    NASA Astrophysics Data System (ADS)

    Coppi, B.; Rousseau, F.

    2006-04-01

    The nonlinear theory of rotating axisymmetric thin structures in which the magnetic field energy density is comparable with the thermal plasma energy density is formulated. The only flow velocity included in the theory is the velocity of rotation around a central object whose gravity is dominant. The periodic sequence, in the radial direction, of pairs of opposite current channels that can form is shown to lead to relatively large plasma density and pressure modulations, while the relevant magnetic surfaces can acquire a ``crystal structure.'' A new class of equilibria consisting of a series of plasma rings is identified, in the regimes where the plasma pressure is comparable to the magnetic pressure associated with the fields produced by the internal currents. The possible relevance of this result to the formation of dusty plasma rings is pointed out.

  10. Estimating food portions. Influence of unit number, meal type and energy density.

    PubMed

    Almiron-Roig, Eva; Solis-Trapala, Ivonne; Dodd, Jessica; Jebb, Susan A

    2013-12-01

    Estimating how much is appropriate to consume can be difficult, especially for foods presented in multiple units, those with ambiguous energy content and for snacks. This study tested the hypothesis that the number of units (single vs. multi-unit), meal type and food energy density disrupts accurate estimates of portion size. Thirty-two healthy weight men and women attended the laboratory on 3 separate occasions to assess the number of portions contained in 33 foods or beverages of varying energy density (1.7-26.8 kJ/g). Items included 12 multi-unit and 21 single unit foods; 13 were labelled "meal", 4 "drink" and 16 "snack". Departures in portion estimates from reference amounts were analysed with negative binomial regression. Overall participants tended to underestimate the number of portions displayed. Males showed greater errors in estimation than females (p=0.01). Single unit foods and those labelled as 'meal' or 'beverage' were estimated with greater error than multi-unit and 'snack' foods (p=0.02 and p<0.001 respectively). The number of portions of high energy density foods was overestimated while the number of portions of beverages and medium energy density foods were underestimated by 30-46%. In conclusion, participants tended to underestimate the reference portion size for a range of food and beverages, especially single unit foods and foods of low energy density and, unexpectedly, overestimated the reference portion of high energy density items. There is a need for better consumer education of appropriate portion sizes to aid adherence to a healthy diet. Copyright © 2013 The Authors. Published by Elsevier Ltd.. All rights reserved.

  11. Path analysis of the energy density of wood in eucalyptus clones.

    PubMed

    Couto, A M; Teodoro, P E; Trugilho, P F

    2017-03-16

    Path analysis has been used for establishing selection criteria in genetic breeding programs for several crops. However, it has not been used in eucalyptus breeding programs yet. In the present study, we aimed to identify the wood technology traits that could be used as the criteria for direct and indirect selection of eucalyptus genotypes with high energy density of wood. Twenty-four eucalyptus clones were evaluated in a completely randomized design with five replications. The following traits were assessed: basic wood density, total extractives, lignin content, ash content, nitrogen content, carbon content, hydrogen content, sulfur content, oxygen content, higher calorific power, holocellulose, and energy density. After verifying the variability of all evaluated traits among the clones, a two-dimensional correlation network was used to determine the phenotypic patterns among them. The obtained coefficient of determination (0.94) presented a higher magnitude in relation to the effect of the residual variable, and it served as an excellent model for explaining the genetic effects related to the variations observed in the energy density of wood in all eucalyptus clones. However, for future studies, we recommend evaluating other traits, especially the morphological traits, because of the greater ease in their measurement. Selecting clones with high basic density is the most promising strategy for eucalyptus breeding programs that aim to increase the energy density of wood because of its high heritability and magnitude of the cause-and-effect relationship with this trait.

  12. Energy density of anchovy Engraulis encrasicolus in the Bay of Biscay.

    PubMed

    Dubreuil, J; Petitgas, P

    2009-02-01

    The energy density (E(D)) of anchovy Engraulis encrasicolus in the Bay of Biscay was determined by direct calorimetry and its evolution with size, age and season was investigated. The water content and energy density varied seasonally following opposite trends. The E(D) g(-1) of wet mass (M(W)) was highest at the end of the feeding season (autumn: c. 8 kJ g(-1)M(W)) and lowest in late winter (c. 6 kJ g(-1)M(W)). In winter, the fish lost mass, which was partially replaced by water, and the energy density decreased. These variations in water content and organic matter content may have implications on the buoyancy of the fish. The water content was the major driver of the energy density variations for a M(W) basis. A significant linear relationship was established between E(D) g(-1) (y) and the per cent dry mass (M(D); x): y =-4.937 + 0.411x. In the light of the current literature, this relationship seemed to be not only species specific but also ecosystem specific. Calibration and validation of fish bioenergetics models require energy content measurements on fish samples collected at sea. The present study provides a first reference for the energetics of E. encrasicolus in the Bay of Biscay.

  13. Diffuse Waves and Energy Densities Near Boundaries

    NASA Astrophysics Data System (ADS)

    Sanchez-Sesma, F. J.; Rodriguez-Castellanos, A.; Campillo, M.; Perton, M.; Luzon, F.; Perez-Ruiz, J. A.

    2007-12-01

    Green function can be retrieved from averaging cross correlations of motions within a diffuse field. In fact, it has been shown that for an elastic inhomogeneous, anisotropic medium under equipartitioned, isotropic illumination, the average cross correlations are proportional to the imaginary part of Green function. For instance coda waves are due to multiple scattering and their intensities follow diffusive regimes. Coda waves and the noise sample the medium and effectively carry information along their paths. In this work we explore the consequences of assuming both source and receiver at the same point. From the observable side, the autocorrelation is proportional to the energy density at a given point. On the other hand, the imaginary part of the Green function at the source itself is finite because the singularity of Green function is restricted to the real part. The energy density at a point is proportional with the trace of the imaginary part of Green function tensor at the source itself. The Green function availability may allow establishing the theoretical energy density of a seismic diffuse field generated by a background equipartitioned excitation. We study an elastic layer with free surface and overlaying a half space and compute the imaginary part of the Green function for various depths. We show that the resulting spectrum is indeed closely related to the layer dynamic response and the corresponding resonant frequencies are revealed. One implication of present findings lies in the fact that spatial variations may be useful in detecting the presence of a target by its signature in the distribution of diffuse energy. These results may be useful in assessing the seismic response of a given site if strong ground motions are scarce. It suffices having a reasonable illumination from micro earthquakes and noise. We consider that the imaginary part of Green function at the source is a spectral signature of the site. The relative importance of the peaks of

  14. Reductions in entree energy density increase children's vegetable intake and reduce energy intake

    USDA-ARS?s Scientific Manuscript database

    The energy density (ED; kcal/g) of an entrée influences children's energy intake (EI), but the effect of simultaneously changing both ED and portion size of an entrée on preschool children's EI is unknown. In this within-subject crossover study, 3- to 5-year-old children (30 boys, 31 girls) in a day...

  15. Microscopically based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization

    NASA Astrophysics Data System (ADS)

    Stoitsov, M.; Kortelainen, M.; Bogner, S. K.; Duguet, T.; Furnstahl, R. J.; Gebremariam, B.; Schunck, N.

    2010-11-01

    In a recent series of articles, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the density matrix expansion (DME) to the Hartree-Fock energy obtained from chiral effective field theory two- and three-nucleon interactions. Owing to the structure of the chiral interactions, each coupling in the DME functional is given as the sum of a coupling constant arising from zero-range contact interactions and a coupling function of the density arising from the finite-range pion exchanges. Because the contact contributions have essentially the same structure as those entering empirical Skyrme functionals, a microscopically guided Skyrme phenomenology has been suggested in which the contact terms in the DME functional are released for optimization to finite-density observables to capture short-range correlation energy contributions from beyond Hartree-Fock. The present article is the first attempt to assess the ability of the newly suggested DME functional, which has a much richer set of density dependencies than traditional Skyrme functionals, to generate sensible and stable results for nuclear applications. The results of the first proof-of-principle calculations are given, and numerous practical issues related to the implementation of the new functional in existing Skyrme codes are discussed. Using a restricted singular value decomposition optimization procedure, it is found that the new DME functional gives numerically stable results and exhibits a small but systematic reduction of our test χ2 function compared to standard Skyrme functionals, thus justifying its suitability for future global optimizations and large-scale calculations.

  16. 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

  17. On the energy density of helical proteins.

    PubMed

    Barros, Manuel; Ferrández, Angel

    2014-12-01

    We solve the problem of determining the energy actions whose moduli space of extremals contains the class of Lancret helices with a prescribed slope. We first see that the energy density should be linear both in the total bending and in the total twisting, such that the ratio between the weights of them is the prescribed slope. This will give an affirmative answer to the conjecture stated in Barros and Ferrández (J Math Phys 50:103529, 2009). Then, we normalize to get the best choice for the helical energy. It allows us to show that the energy, for instance of a protein chain, does not depend on the slope and is invariant under homotopic changes of the cross section which determines the cylinder where the helix is lying. In particular, the energy of a helix is not arbitrary, but it is given as natural multiples of some basic quantity of energy.

  18. Pie-like electrode design for high-energy density lithium–sulfur batteries

    PubMed Central

    Li, Zhen; Zhang, Jin Tao; Chen, Yu Ming; Li, Ju; Lou, Xiong Wen (David)

    2015-01-01

    Owing to the overwhelming advantage in energy density, lithium–sulfur (Li–S) battery is a promising next-generation electrochemical energy storage system. Despite many efforts in pursuing long cycle life, relatively little emphasis has been placed on increasing the areal energy density. Herein, we have designed and developed a ‘pie' structured electrode, which provides an excellent balance between gravimetric and areal energy densities. Combining lotus root-like multichannel carbon nanofibers ‘filling' and amino-functionalized graphene ‘crust', the free-standing paper electrode (S mass loading: 3.6 mg cm−2) delivers high specific capacity of 1,314 mAh g−1 (4.7 mAh cm−2) at 0.1 C (0.6 mA cm−2) accompanied with good cycling stability. Moreover, the areal capacity can be further boosted to more than 8 mAh cm−2 by stacking three layers of paper electrodes with S mass loading of 10.8 mg cm−2. PMID:26608228

  19. Extra-metabolic energy use and the rise in human hyper-density

    NASA Astrophysics Data System (ADS)

    Burger, Joseph R.; Weinberger, Vanessa P.; Marquet, Pablo A.

    2017-03-01

    Humans, like all organisms, are subject to fundamental biophysical laws. Van Valen predicted that, because of zero-sum dynamics, all populations of all species in a given environment flux the same amount of energy on average. Damuth’s ’energetic equivalence rule’ supported Van Valen´s conjecture by showing a tradeoff between few big animals per area with high individual metabolic rates compared to abundant small species with low energy requirements. We use metabolic scaling theory to compare variation in densities and individual energy use in human societies to other land mammals. We show that hunter-gatherers occurred at densities lower than the average for a mammal of our size. Most modern humans, in contrast, concentrate in large cities at densities up to four orders of magnitude greater than hunter-gatherers, yet consume up to two orders of magnitude more energy per capita. Today, cities across the globe flux greater energy than net primary productivity on a per area basis. This is possible by importing enormous amounts of energy and materials required to sustain hyper-dense, modern humans. The metabolic rift with nature created by modern cities fueled largely by fossil energy poses formidable challenges for establishing a sustainable relationship on a rapidly urbanizing, yet finite planet.

  20. Extra-metabolic energy use and the rise in human hyper-density.

    PubMed

    Burger, Joseph R; Weinberger, Vanessa P; Marquet, Pablo A

    2017-03-02

    Humans, like all organisms, are subject to fundamental biophysical laws. Van Valen predicted that, because of zero-sum dynamics, all populations of all species in a given environment flux the same amount of energy on average. Damuth's 'energetic equivalence rule' supported Van Valen´s conjecture by showing a tradeoff between few big animals per area with high individual metabolic rates compared to abundant small species with low energy requirements. We use metabolic scaling theory to compare variation in densities and individual energy use in human societies to other land mammals. We show that hunter-gatherers occurred at densities lower than the average for a mammal of our size. Most modern humans, in contrast, concentrate in large cities at densities up to four orders of magnitude greater than hunter-gatherers, yet consume up to two orders of magnitude more energy per capita. Today, cities across the globe flux greater energy than net primary productivity on a per area basis. This is possible by importing enormous amounts of energy and materials required to sustain hyper-dense, modern humans. The metabolic rift with nature created by modern cities fueled largely by fossil energy poses formidable challenges for establishing a sustainable relationship on a rapidly urbanizing, yet finite planet.

  1. Flexible asymmetric supercapacitors with high energy and high power density in aqueous electrolytes

    NASA Astrophysics Data System (ADS)

    Cheng, Yingwen; Zhang, Hongbo; Lu, Songtao; Varanasi, Chakrapani V.; Liu, Jie

    2013-01-01

    Supercapacitors with both high energy and high power densities are critical for many practical applications. In this paper, we discuss the design and demonstrate the fabrication of flexible asymmetric supercapacitors based on nanocomposite electrodes of MnO2, activated carbon, carbon nanotubes and graphene. The combined unique properties of each of these components enable highly flexible and mechanically strong films that can serve as electrodes directly without using any current collectors or binders. Using these flexible electrodes and a roll-up approach, asymmetric supercapacitors with 2 V working voltage were successfully fabricated. The fabricated device showed excellent rate capability, with 78% of the original capacitance retained when the scan rate was increased from 2 mV s-1 to 500 mV s-1. Owing to the unique composite structure, these supercapacitors were able to deliver high energy density (24 W h kg-1) under high power density (7.8 kW kg-1) conditions. These features could enable supercapacitor based energy storage systems to be very attractive for a variety of critical applications, such as the power sources in hybrid electric vehicles and the back-up powers for wind and solar energy, where both high energy density and high power density are required.Supercapacitors with both high energy and high power densities are critical for many practical applications. In this paper, we discuss the design and demonstrate the fabrication of flexible asymmetric supercapacitors based on nanocomposite electrodes of MnO2, activated carbon, carbon nanotubes and graphene. The combined unique properties of each of these components enable highly flexible and mechanically strong films that can serve as electrodes directly without using any current collectors or binders. Using these flexible electrodes and a roll-up approach, asymmetric supercapacitors with 2 V working voltage were successfully fabricated. The fabricated device showed excellent rate capability, with 78% of

  2. Coaxial wet-spun yarn supercapacitors for high-energy density and safe wearable electronics

    NASA Astrophysics Data System (ADS)

    Kou, Liang; Huang, Tieqi; Zheng, Bingna; Han, Yi; Zhao, Xiaoli; Gopalsamy, Karthikeyan; Sun, Haiyan; Gao, Chao

    2014-05-01

    Yarn supercapacitors have great potential in future portable and wearable electronics because of their tiny volume, flexibility and weavability. However, low-energy density limits their development in the area of wearable high-energy density devices. How to enhance their energy densities while retaining their high-power densities is a critical challenge for yarn supercapacitor development. Here we propose a coaxial wet-spinning assembly approach to continuously spin polyelectrolyte-wrapped graphene/carbon nanotube core-sheath fibres, which are used directly as safe electrodes to assembly two-ply yarn supercapacitors. The yarn supercapacitors using liquid and solid electrolytes show ultra-high capacitances of 269 and 177 mF cm-2 and energy densities of 5.91 and 3.84 μWh cm-2, respectively. A cloth supercapacitor superior to commercial capacitor is further interwoven from two individual 40-cm-long coaxial fibres. The combination of scalable coaxial wet-spinning technology and excellent performance of yarn supercapacitors paves the way to wearable and safe electronics.

  3. Coaxial wet-spun yarn supercapacitors for high-energy density and safe wearable electronics

    PubMed Central

    Kou, Liang; Huang, Tieqi; Zheng, Bingna; Han, Yi; Zhao, Xiaoli; Gopalsamy, Karthikeyan; Sun, Haiyan; Gao, Chao

    2014-01-01

    Yarn supercapacitors have great potential in future portable and wearable electronics because of their tiny volume, flexibility and weavability. However, low-energy density limits their development in the area of wearable high-energy density devices. How to enhance their energy densities while retaining their high-power densities is a critical challenge for yarn supercapacitor development. Here we propose a coaxial wet-spinning assembly approach to continuously spin polyelectrolyte-wrapped graphene/carbon nanotube core-sheath fibres, which are used directly as safe electrodes to assembly two-ply yarn supercapacitors. The yarn supercapacitors using liquid and solid electrolytes show ultra-high capacitances of 269 and 177 mF cm−2 and energy densities of 5.91 and 3.84 μWh cm−2, respectively. A cloth supercapacitor superior to commercial capacitor is further interwoven from two individual 40-cm-long coaxial fibres. The combination of scalable coaxial wet-spinning technology and excellent performance of yarn supercapacitors paves the way to wearable and safe electronics. PMID:24786366

  4. Antiferroelectric Thin-Film Capacitors with High Energy-Storage Densities, Low Energy Losses, and Fast Discharge Times.

    PubMed

    Ahn, Chang Won; Amarsanaa, Gantsooj; Won, Sung Sik; Chae, Song A; Lee, Dae Su; Kim, Ill Won

    2015-12-09

    We demonstrate a capacitor with high energy densities, low energy losses, fast discharge times, and high temperature stabilities, based on Pb(0.97)Y(0.02)[(Zr(0.6)Sn(0.4))(0.925)Ti(0.075)]O3 (PYZST) antiferroelectric thin-films. PYZST thin-films exhibited a high recoverable energy density of U(reco) = 21.0 J/cm(3) with a high energy-storage efficiency of η = 91.9% under an electric field of 1300 kV/cm, providing faster microsecond discharge times than those of commercial polypropylene capacitors. Moreover, PYZST thin-films exhibited high temperature stabilities with regard to their energy-storage properties over temperatures ranging from room temperature to 100 °C and also exhibited strong charge-discharge fatigue endurance up to 1 × 10(7) cycles.

  5. Encircling the dark: constraining dark energy via cosmic density in spheres

    NASA Astrophysics Data System (ADS)

    Codis, S.; Pichon, C.; Bernardeau, F.; Uhlemann, C.; Prunet, S.

    2016-08-01

    The recently published analytic probability density function for the mildly non-linear cosmic density field within spherical cells is used to build a simple but accurate maximum likelihood estimate for the redshift evolution of the variance of the density, which, as expected, is shown to have smaller relative error than the sample variance. This estimator provides a competitive probe for the equation of state of dark energy, reaching a few per cent accuracy on wp and wa for a Euclid-like survey. The corresponding likelihood function can take into account the configuration of the cells via their relative separations. A code to compute one-cell-density probability density functions for arbitrary initial power spectrum, top-hat smoothing and various spherical-collapse dynamics is made available online, so as to provide straightforward means of testing the effect of alternative dark energy models and initial power spectra on the low-redshift matter distribution.

  6. High energy density and efficiency achieved in nanocomposite film capacitors via structure modulation

    NASA Astrophysics Data System (ADS)

    Zeng, Yi; Shen, Zhong-Hui; Shen, Yang; Lin, Yuanhua; Nan, Ce-Wen

    2018-03-01

    Flexible dielectric polymer films with high energy storage density and high charge-discharge efficiency have been considered as promising materials for electrical power applications. Here, we design hierarchical structured nanocomposite films using nonlinear polymer poly(vinylidene fluoride-HFP) [P(VDF-HFP)] with inorganic h-boron nitride (h-BN) nanosheets by electrospinning and hot-pressing methods. Our results show that the addition of h-BN nanosheets and the design of the hierarchical multilayer structure in the nanocomposites can remarkably enhance the charge-discharge efficiency and energy density. A high charge-discharge efficiency of 78% and an energy density of 21 J/cm3 can be realized in the 12-layered PVDF/h-BN nanocomposite films. Phase-field simulation results reveal that the spatial distribution of the electric field in these hierarchical structured films affects the charge-discharge efficiency and energy density. This work provides a feasible route, i.e., structure modulation, to improve the energy storage performances for nanocomposite films.

  7. Development of high energy density electrical double layer capacitors

    NASA Astrophysics Data System (ADS)

    Devarajan, Thamarai selvi

    Electrochemical Double Layer capacitors (EDLCs) have shown themselves as a viable energy storage alternative. EDLCs have high power density, faster charge/discharge, wide operating temperature and long cycle life compared to batteries since it stores charge by physical separation. Despites all their advantages, their low energy density stand as a bottleneck for capacitors. This research aims to increase the energy density of EDLC without compromising the power density. Energy is proportional to the square of cell voltage. Cell voltage is mainly dependent on electrolyte breakdown. Electrolytes also provide ions for charge separation and conduction. Therefore various electrolytes (Solutes and Solvents) which can give high concentration, solubility and decomposition potential were characterized in the first part of the research. In that study, a novel ionic liquid OPBF4 had higher capacitance and comparable voltage window compared to commercial TEABF4 in Acetonitrile. However, the increased polarity of the fixed ring O-atom and the ion-ion interaction in OPBF4 was responsible for lowering its conductivity. Oxygenated ionic compounds with alkyl groups had lower stability due to beta elimination between two electron withdrawing atoms. Volume based thermodynamics and quantum chemical calculations were used to calculate ion size, HOMO/LUMO energies, and free energy changes and establish relationship with capacitance, redox potential and melting points respectively. In addition free energy of fusion was used to predict the melting point. Ion size had correlation with capacitance due to compact double layer formation. Free energy changes did not explain the differences in melting point and predicted dielectric constant was inconsistent with the polarity. This is presumably due to using Van der Waals volume instead of crystal structure volume and insufficient incorporation of polarization term. The HOMO/LUMO energies gave direct relation between oxidation and reduction

  8. Advanced High Energy Density Secondary Batteries with Multi‐Electron Reaction Materials

    PubMed Central

    Luo, Rui; Huang, Yongxin; Li, Li

    2016-01-01

    Secondary batteries have become important for smart grid and electric vehicle applications, and massive effort has been dedicated to optimizing the current generation and improving their energy density. Multi‐electron chemistry has paved a new path for the breaking of the barriers that exist in traditional battery research and applications, and provided new ideas for developing new battery systems that meet energy density requirements. An in‐depth understanding of multi‐electron chemistries in terms of the charge transfer mechanisms occuring during their electrochemical processes is necessary and urgent for the modification of secondary battery materials and development of secondary battery systems. In this Review, multi‐electron chemistry for high energy density electrode materials and the corresponding secondary battery systems are discussed. Specifically, four battery systems based on multi‐electron reactions are classified in this review: lithium‐ and sodium‐ion batteries based on monovalent cations; rechargeable batteries based on the insertion of polyvalent cations beyond those of alkali metals; metal–air batteries, and Li–S batteries. It is noted that challenges still exist in the development of multi‐electron chemistries that must be overcome to meet the energy density requirements of different battery systems, and much effort has more effort to be devoted to this. PMID:27840796

  9. Effects of Consuming Preloads with Different Energy Density and Taste Quality on Energy Intake and Postprandial Blood Glucose

    PubMed Central

    Tey, Siew Ling; Salleh, Nurhazwani; Forde, Ciaran G.

    2018-01-01

    Consumption of reduced energy dense foods and drink has the potential to reduce energy intake and postprandial blood glucose concentrations. In addition, the taste quality of a meal (e.g., sweet or savoury) may play a role in satiation and food intake. The objective of this randomised crossover study was to examine whether energy density and taste quality has an impact on energy intake and postprandial blood glucose response. Using a preload design, participants were asked to consume a sweet (“Cheng Teng”) or a savoury (broth) preload soup in high energy density (HED; around 0.50 kcal/g; 250 kcal) or low energy density (LED; around 0.12 kcal/g; 50 kcal) in mid-morning and an ad libitum lunch was provided an hour after the preload. Participants recorded their food intake for the rest of the day after they left the study site. Energy compensation and postprandial blood glucose response were measured in 32 healthy lean males (mean age = 28.9 years, mean BMI = 22.1 kg/m2). There was a significant difference in ad libitum lunch intake between treatments (p = 0.012), with higher intake in sweet LED and savoury LED compared to sweet HED and savoury HED. Energy intake at subsequent meals and total daily energy intake did not differ between the four treatments (both p ≥ 0.214). Consumption of HED preloads resulted in a larger spike in postprandial blood glucose response compared with LED preloads, irrespective of taste quality (p < 0.001). Energy density rather than taste quality plays an important role in energy compensation and postprandial blood glucose response. This suggests that regular consumption of low energy-dense foods has the potential to reduce overall energy intake and to improve glycemic control. PMID:29385055

  10. Effects of Consuming Preloads with Different Energy Density and Taste Quality on Energy Intake and Postprandial Blood Glucose.

    PubMed

    Tey, Siew Ling; Salleh, Nurhazwani; Henry, Christiani Jeyakumar; Forde, Ciaran G

    2018-01-31

    Consumption of reduced energy dense foods and drink has the potential to reduce energy intake and postprandial blood glucose concentrations. In addition, the taste quality of a meal (e.g., sweet or savoury) may play a role in satiation and food intake. The objective of this randomised crossover study was to examine whether energy density and taste quality has an impact on energy intake and postprandial blood glucose response. Using a preload design, participants were asked to consume a sweet ("Cheng Teng") or a savoury (broth) preload soup in high energy density (HED; around 0.50 kcal/g; 250 kcal) or low energy density (LED; around 0.12 kcal/g; 50 kcal) in mid-morning and an ad libitum lunch was provided an hour after the preload. Participants recorded their food intake for the rest of the day after they left the study site. Energy compensation and postprandial blood glucose response were measured in 32 healthy lean males (mean age = 28.9 years, mean BMI = 22.1 kg/m²). There was a significant difference in ad libitum lunch intake between treatments ( p = 0.012), with higher intake in sweet LED and savoury LED compared to sweet HED and savoury HED. Energy intake at subsequent meals and total daily energy intake did not differ between the four treatments (both p ≥ 0.214). Consumption of HED preloads resulted in a larger spike in postprandial blood glucose response compared with LED preloads, irrespective of taste quality ( p < 0.001). Energy density rather than taste quality plays an important role in energy compensation and postprandial blood glucose response. This suggests that regular consumption of low energy-dense foods has the potential to reduce overall energy intake and to improve glycemic control.

  11. Graphene and carbon nanotube composite electrodes for supercapacitors with ultra-high energy density.

    PubMed

    Cheng, Qian; Tang, Jie; Ma, Jun; Zhang, Han; Shinya, Norio; Qin, Lu-Chang

    2011-10-21

    We describe a graphene and single-walled carbon nanotube (SWCNT) composite film prepared by a blending process for use as electrodes in high energy density supercapacitors. Specific capacitances of 290.6 F g(-1) and 201.0 F g(-1) have been obtained for a single electrode in aqueous and organic electrolytes, respectively, using a more practical two-electrode testing system. In the organic electrolyte the energy density reached 62.8 Wh kg(-1) and the power density reached 58.5 kW kg(-1). The addition of single-walled carbon nanotubes raised the energy density by 23% and power density by 31% more than the graphene electrodes. The graphene/CNT electrodes exhibited an ultra-high energy density of 155.6 Wh kg(-1) in ionic liquid at room temperature. In addition, the specific capacitance increased by 29% after 1000 cycles in ionic liquid, indicating their excellent cyclicity. The SWCNTs acted as a conductive additive, spacer, and binder in the graphene/CNT supercapacitors. This work suggests that our graphene/CNT supercapacitors can be comparable to NiMH batteries in performance and are promising for applications in hybrid vehicles and electric vehicles. This journal is © the Owner Societies 2011

  12. Hydrate-melt electrolytes for high-energy-density aqueous batteries

    NASA Astrophysics Data System (ADS)

    Yamada, Yuki; Usui, Kenji; Sodeyama, Keitaro; Ko, Seongjae; Tateyama, Yoshitaka; Yamada, Atsuo

    2016-10-01

    Aqueous Li-ion batteries are attracting increasing attention because they are potentially low in cost, safe and environmentally friendly. However, their low energy density (<100 Wh kg-1 based on total electrode weight), which results from the narrow operating potential window of water and the limited selection of suitable negative electrodes, is problematic for their future widespread application. Here, we explore optimized eutectic systems of several organic Li salts and show that a room-temperature hydrate melt of Li salts can be used as a stable aqueous electrolyte in which all water molecules participate in Li+ hydration shells while retaining fluidity. This hydrate-melt electrolyte enables a reversible reaction at a commercial Li4Ti5O12 negative electrode with a low reaction potential (1.55 V versus Li+/Li) and a high capacity (175 mAh g-1). The resultant aqueous Li-ion batteries with high energy density (>130 Wh kg-1) and high voltage (˜2.3-3.1 V) represent significant progress towards performance comparable to that of commercial non-aqueous batteries (with energy densities of ˜150-400 Wh kg-1 and voltages of ˜2.4-3.8 V).

  13. 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.

  14. Advanced intermediate temperature sodium-nickel chloride batteries with ultra-high energy density

    NASA Astrophysics Data System (ADS)

    Li, Guosheng; Lu, Xiaochuan; Kim, Jin Y.; Meinhardt, Kerry D.; Chang, Hee Jung; Canfield, Nathan L.; Sprenkle, Vincent L.

    2016-02-01

    Sodium-metal halide batteries have been considered as one of the more attractive technologies for stationary electrical energy storage, however, they are not used for broader applications despite their relatively well-known redox system. One of the roadblocks hindering market penetration is the high-operating temperature. Here we demonstrate that planar sodium-nickel chloride batteries can be operated at an intermediate temperature of 190 °C with ultra-high energy density. A specific energy density of 350 Wh kg-1, higher than that of conventional tubular sodium-nickel chloride batteries (280 °C), is obtained for planar sodium-nickel chloride batteries operated at 190 °C over a long-term cell test (1,000 cycles), and it attributed to the slower particle growth of the cathode materials at the lower operating temperature. Results reported here demonstrate that planar sodium-nickel chloride batteries operated at an intermediate temperature could greatly benefit this traditional energy storage technology by improving battery energy density, cycle life and reducing material costs.

  15. Energy density and energy flow of surface waves in a strongly magnetized graphene

    NASA Astrophysics Data System (ADS)

    Moradi, Afshin

    2018-01-01

    General expressions for the energy density and energy flow of plasmonic waves in a two-dimensional massless electron gas (as a simple model of graphene) are obtained by means of the linearized magneto-hydrodynamic model and classical electromagnetic theory when a strong external magnetic field perpendicular to the system is present. Also, analytical expressions for the energy velocity, wave polarization, wave impedance, transverse and longitudinal field strength functions, and attenuation length of surface magneto-plasmon-polariton waves are derived, and numerical results are prepared.

  16. Hydrodynamic Instabilities in High-Energy-Density Settings

    NASA Astrophysics Data System (ADS)

    Smalyuk, Vladimir

    2016-10-01

    Our understanding of hydrodynamic instabilities, such as the Rayleigh-Taylor (RT), Richtmyer-Meshkov (RM), and Kelvin-Helmholtz (KH) instabilities, in high-energy-density (HED) settings over past two decades has progressed enormously. The range of conditions where hydrodynamic instabilities are experimentally observed now includes direct and indirect drive inertial confinement fusion (ICF) where surprises continue to emerge, linear and nonlinear regimes, classical interfaces vs. stabilized ablation fronts, tenuous ideal plasmas vs. high density Fermi degenerate plasmas, bulk fluid interpenetration vs. mixing down to the atomic level, in the presence of magnetic fields and/or intense radiation, and in solid state plastic flow at high pressures and strain rates. Regimes in ICF can involve extreme conditions of matter with temperatures up to kilovolts, densities of a thousand times solid densities, and time scales of nanoseconds. On the other hand, scaled conditions can be generated that map to exploding stars (supernovae) with length and time scales of millions of kilometers and hours to days or even years of instability evolution, planetary formation dynamics involving solid-state plastic flow which severely modifies the RT growth and continues to challenge reliable theoretical descriptions. This review will look broadly at progress in probing and understanding hydrodynamic instabilities in these very diverse HED settings, and then will examine a few cases in more depth to illustrate the detailed science involved. Experimental results on large-scale HED facilities such as the Omega, Nike, Gekko, and Shenguang lasers will be reviewed and the latest developments at the National Ignition Facility (NIF) and Z machine will be covered. Finally, current overarching questions and challenges will be summarized to motivate research directions for future. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

  17. Demonstration of ultra-high recyclable energy densities in domain-engineered ferroelectric films.

    PubMed

    Cheng, Hongbo; Ouyang, Jun; Zhang, Yun-Xiang; Ascienzo, David; Li, Yao; Zhao, Yu-Yao; Ren, Yuhang

    2017-12-08

    Dielectric capacitors have the highest charge/discharge speed among all electrical energy devices, but lag behind in energy density. Here we report dielectric ultracapacitors based on ferroelectric films of Ba(Zr 0.2 ,Ti 0.8 )O 3 which display high-energy densities (up to 166 J cm -3 ) and efficiencies (up to 96%). Different from a typical ferroelectric whose electric polarization is easily saturated, these Ba(Zr 0.2 ,Ti 0.8 )O 3 films display a much delayed saturation of the electric polarization, which increases continuously from nearly zero at remnant in a multipolar state, to a large value under the maximum electric field, leading to drastically improved recyclable energy densities. This is achieved by the creation of an adaptive nano-domain structure in these perovskite films via phase engineering and strain tuning. The lead-free Ba(Zr 0.2 ,Ti 0.8 )O 3 films also show excellent dielectric and energy storage performance over a broad frequency and temperature range. These findings may enable broader applications of dielectric capacitors in energy storage, conditioning, and conversion.

  18. High-energy-density plasma jet generated by laser-cone interaction

    NASA Astrophysics Data System (ADS)

    Ke, Y. Z.; Yang, X. H.; Ma, Y. Y.; Xu, B. B.; Ge, Z. Y.; Gan, L. F.; Meng, L.; Wang, S. W.; Kawata, S.

    2018-04-01

    The generation of high-energy-density (HED) plasma jet from a laser ablating thin cone target is studied theoretically and by numerical simulations. Theoretical analysis and 1D simulations show that a maximum kinetic energy conversion efficiency (CE) of 26% can be achieved when nearly 80% of the foil is ablated by laser. A HED plasma jet is generated when an intense laser (˜1015 W/cm2) irradiates the cone target, inducing a great enhancement of energy density compared to that of the planar target, which is attributed to the cumulative effect of the cone shape and the new generation mechanism of jet, i.e., laser directly accelerating the cone wall onto the axis. The characteristic of jet is influenced by the cone geometry, i.e., thickness and cone angle. It is found that a cone with a half opening angle around 70 ° and the optimized thickness (˜5 μm) can induce a jet with a high CE and long duration, whose peak energy density can reach 3.5 × 1015 erg/cm3. The results can be beneficial for laser-driven novel neutron sources and other fusion related experiments, where HED plasma jet can be applied.

  19. Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

    2018-06-01

    A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

  20. Electron dynamics in high energy density plasma bunch generation driven by intense picosecond laser pulse

    NASA Astrophysics Data System (ADS)

    Li, M.; Yuan, T.; Xu, Y. X.; Luo, S. N.

    2018-05-01

    When an intense picosecond laser pulse is loaded upon a dense plasma, a high energy density plasma bunch, including electron bunch and ion bunch, can be generated in the target. We simulate this process through one-dimensional particle-in-cell simulation and find that the electron bunch generation is mainly due to a local high energy density electron sphere originated in the plasma skin layer. Once generated the sphere rapidly expands to compress the surrounding electrons and induce high density electron layer, coupled with that, hot electrons are efficiently triggered in the local sphere and traveling in the whole target. Under the compressions of light pressure, forward-running and backward-running hot electrons, a high energy density electron bunch generates. The bunch energy density is as high as TJ/m3 order of magnitude in our conditions, which is significant in laser driven dynamic high pressure generation and may find applications in high energy density physics.

  1. Dietary energy density and body weight in adults and children: a systematic review.

    PubMed

    Pérez-Escamilla, Rafael; Obbagy, Julie E; Altman, Jean M; Essery, Eve V; McGrane, Mary M; Wong, Yat Ping; Spahn, Joanne M; Williams, Christine L

    2012-05-01

    Energy density is a relatively new concept that has been identified as an important factor in body weight control in adults and in children and adolescents. The Dietary Guidelines for Americans 2010 encourages consumption of an eating pattern low in energy density to manage body weight. This article describes the systematic evidence-based review conducted by the 2010 Dietary Guidelines Advisory Committee (DGAC), with support from the US Department of Agriculture's Nutrition Evidence Library, which resulted in this recommendation. An update to the committee's review was prepared for this article. PubMed was searched for English-language publications from January 1980 to May 2011. The literature review included 17 studies (seven randomized controlled trials, one nonrandomized controlled trial, and nine cohort studies) in adults and six cohort studies in children and adolescents. Based on this evidence, the 2010 Dietary Guidelines Advisory Committee concluded that strong and consistent evidence in adults indicates that dietary patterns relatively low in energy density improve weight loss and weight maintenance. In addition, the committee concluded that there was moderately strong evidence from methodologically rigorous longitudinal cohort studies in children and adolescents to suggest that there is a positive association between dietary energy density and increased adiposity. This review supports a relationship between energy density and body weight in adults and in children and adolescents such that consuming diets lower in energy density may be an effective strategy for managing body weight. Copyright © 2012 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

  2. Quantification of breast density with dual energy mammography: A simulation study

    PubMed Central

    Ducote, Justin L.; Molloi, Sabee

    2008-01-01

    Breast density, the percentage of glandular breast tissue, has been identified as an important yet underutilized risk factor in the development of breast cancer. A quantitative method to measure breast density with dual energy imaging was investigated using a computer simulation model. Two configurations to measure breast density were evaluated: the usage of monoenergetic beams and an ideal detector, and the usage of polyenergetic beams with spectra from a tungsten anode x-ray tube with a detector modeled after a digital mammography system. The simulation model calculated the mean glandular dose necessary to quantify the variability of breast density to within 1∕3%. The breast was modeled as a semicircle 10 cm in radius with equal homogenous thicknesses of adipose and glandular tissues. Breast thicknesses were considered in the range of 2–10 cm and energies in the range of 10–150 keV for the two monoenergetic beams, and 20–150 kVp for spectra with a tungsten anode x-ray tube. For a 4.2 cm breast thickness, the required mean glandular doses were 0.183 μGy for two monoenergetic beams at 19 and 71 keV, and 9.85 μGy for two polyenergetic spectra from a tungsten anode at 32 and 96 kVp with beam filtrations of 50 μm Rh and 300 μm Cu for the low and high energy beams, respectively. The results suggest that for either configuration, breast density can be precisely measured with dual energy imaging requiring only a small amount of additional dose to the breast. The possibility of using a standard screening mammogram as the low energy image is also discussed. PMID:19175100

  3. An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics.

    PubMed

    Valdivia, M P; Stutman, D; Stoeckl, C; Theobald, W; Mileham, C; Begishev, I A; Bromage, J; Regan, S P

    2016-02-01

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 10(23) cm(-3) in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. The 50 ± 15 μm spatial resolution achieved across the full field of view was found to be limited by the x-ray source-size, similar to conventional radiography.

  4. Flexible asymmetric supercapacitors with high energy and high power density in aqueous electrolytes.

    PubMed

    Cheng, Yingwen; Zhang, Hongbo; Lu, Songtao; Varanasi, Chakrapani V; Liu, Jie

    2013-02-07

    Supercapacitors with both high energy and high power densities are critical for many practical applications. In this paper, we discuss the design and demonstrate the fabrication of flexible asymmetric supercapacitors based on nanocomposite electrodes of MnO(2), activated carbon, carbon nanotubes and graphene. The combined unique properties of each of these components enable highly flexible and mechanically strong films that can serve as electrodes directly without using any current collectors or binders. Using these flexible electrodes and a roll-up approach, asymmetric supercapacitors with 2 V working voltage were successfully fabricated. The fabricated device showed excellent rate capability, with 78% of the original capacitance retained when the scan rate was increased from 2 mV s(-1) to 500 mV s(-1). Owing to the unique composite structure, these supercapacitors were able to deliver high energy density (24 W h kg(-1)) under high power density (7.8 kW kg(-1)) conditions. These features could enable supercapacitor based energy storage systems to be very attractive for a variety of critical applications, such as the power sources in hybrid electric vehicles and the back-up powers for wind and solar energy, where both high energy density and high power density are required.

  5. Energy density and rate limitations in structural composite supercapacitors

    NASA Astrophysics Data System (ADS)

    Snyder, J. F.; Gienger, E.; Wetzel, E. D.; Xu, K.

    2012-06-01

    The weight and volume of conventional energy storage technologies greatly limits their performance in mobile platforms. Traditional research efforts target improvements in energy density to reduce device size and mass. Enabling a device to perform additional functions, such as bearing mechanical load, is an alternative approach as long as the total mass efficiency exceeds that of the individual materials it replaces. Our research focuses on structural composites that function as batteries and supercapacitors. These multifunctional devices could be used to replace conventional structural components, such as vehicle frame elements, to provide significant system-level weight reductions and extend mission times. Our approach is to design structural properties directly into the electrolyte and electrode materials. Solid polymer electrolyte materials bind the system and transfer load to the fibers while conducting ions between the electrodes. Carbon fiber electrodes provide a route towards optimizing both energy storage and load-bearing capabilities, and may also obviate the need for a separate current collector. The components are being integrated using scalable, cost-effective composite processing techniques that are amenable to complex part shapes. Practical considerations of energy density and rate behavior are described here as they relate to materials used. Our results highlight the viability as well as the challenges of this multifunctional approach towards energy storage.

  6. Vacuum stress energy density and its gravitational implications

    NASA Astrophysics Data System (ADS)

    Estrada, Ricardo; Fulling, Stephen A.; Kaplan, Lev; Kirsten, Klaus; Liu, Zhonghai; Milton, Kimball A.

    2008-04-01

    In nongravitational physics the local density of energy is often regarded as merely a bookkeeping device; only total energy has an experimental meaning—and it is only modulo a constant term. But in general relativity the local stress-energy tensor is the source term in Einstein's equation. In closed universes, and those with Kaluza-Klein dimensions, theoretical consistency demands that quantum vacuum energy should exist and have gravitational effects, although there are no boundary materials giving rise to that energy by van der Waals interactions. In the lab there are boundaries, and in general the energy density has a nonintegrable singularity as a boundary is approached (for idealized boundary conditions). As pointed out long ago by Candelas and Deutsch, in this situation there is doubt about the viability of the semiclassical Einstein equation. Our goal is to show that the divergences in the linearized Einstein equation can be renormalized to yield a plausible approximation to the finite theory that presumably exists for realistic boundary conditions. For a scalar field with Dirichlet or Neumann boundary conditions inside a rectangular parallelepiped, we have calculated by the method of images all components of the stress tensor, for all values of the conformal coupling parameter and an exponential ultraviolet cutoff parameter. The qualitative features of contributions from various classes of closed classical paths are noted. Then the Estrada-Kanwal distributional theory of asymptotics, particularly the moment expansion, is used to show that the linearized Einstein equation with the stress-energy near a plane boundary as source converges to a consistent theory when the cutoff is removed. This paper reports work in progress on a project combining researchers in Texas, Louisiana and Oklahoma. It is supported by NSF Grants PHY-0554849 and PHY-0554926.

  7. Hierarchical Pore-Patterned Carbon Electrodes for High-Volumetric Energy Density Micro-Supercapacitors.

    PubMed

    Kim, Cheolho; Moon, Jun Hyuk

    2018-06-13

    Micro-supercapacitors (MSCs) are attractive for applications in next-generation mobile and wearable devices and have the potential to complement or even replace lithium batteries. However, many previous MSCs have often exhibited a low volumetric energy density with high-loading electrodes because of the nonuniform pore structure of the electrodes. To address this issue, we introduced a uniform-pore carbon electrode fabricated by 3D interference lithography. Furthermore, a hierarchical pore-patterned carbon (hPC) electrode was formed by introducing a micropore by chemical etching into the macropore carbon skeleton. The hPC electrodes were applied to solid-state MSCs. We achieved a constant volumetric capacitance and a corresponding volumetric energy density for electrodes of various thicknesses. The hPC MSC reached a volumetric energy density of approximately 1.43 mW h/cm 3 . The power density of the hPC MSC was 1.69 W/cm 3 . We could control the capacitance and voltage additionally by connecting the unit MSC cells in series or parallel, and we confirmed the operation of a light-emitting diode. We believe that our pore-patterned electrodes will provide a new platform for compact but high-performance energy storage devices.

  8. Level density parameter behaviour at high excitation energy

    NASA Astrophysics Data System (ADS)

    D'Arrigo, A.; Giardina, G.; Taccone, A.

    1991-06-01

    We present a formalism to calculate the intrinsic (without collective effects) and effective (with collective effects) level density parameters over a wide range of excitation energy up to 180 MeV. The behaviour of aint and aeff as an energy function is shown for several typical nuclei (115Cd, 129Te, 148Pm, 173Yb, 192Ir and 248Cm). Moreover, local systematics of the parameter aeff as a function of the neutron number N, also for nuclei extremely far from the β-line, is shown for some typical nuclei (Rb, Pd, Sn, Ba and Hg) at excitation energies of 15, 80 and 150 MeV.

  9. Association between Dietary Energy Density and Incident Type 2 Diabetes in the Women's Health Initiative.

    PubMed

    Hingle, Melanie D; Wertheim, Betsy C; Neuhouser, Marian L; Tinker, Lesley F; Howard, Barbara V; Johnson, Karen; Liu, Simin; Phillips, Lawrence S; Qi, Lihong; Sarto, Gloria; Turner, Tami; Waring, Molly E; Thomson, Cynthia A

    2017-05-01

    Dietary energy density, or energy available in relation to gram intake, can inform disease risk. The objective of this study was to investigate the association between baseline dietary energy density and risk of incident type 2 diabetes in postmenopausal women. Dietary energy density, weight status, and type 2 diabetes incidence were prospectively characterized in a large cohort of postmenopausal women participating in one or more clinical trials or an observational study. The study involved 161,808 postmenopausal women recruited to the Women's Health Initiative observational study or clinical trials at 40 centers across the United States between 1993 and 1998. The primary outcome was incident type 2 diabetes. The association between dietary energy density quintiles and incident diabetes was tested using Cox proportional hazards regression. A total of 143,204 participants without self-reported diabetes at enrollment completed baseline dietary assessment and were followed for 12.7±4.6 years. Risk of diabetes developing was 24% greater for women in the highest dietary energy density quintile compared with the lowest after adjusting for confounders (95% CI 1.17 to 1.32). Body mass index (calculated as kg/m 2 ) and waist circumference mediated the relationship between dietary energy density and diabetes. In waist circumference-stratified analysis, women in dietary energy density quintiles 2 to 5 with waist circumferences >88 cm were at 9% to 12% greater risk of diabetes developing compared with women with waist circumference ≤88 cm. In this prospective study, a higher baseline dietary energy density was associated with higher incidence of type 2 diabetes among postmenopausal women, both overall, and in women with elevated waist circumference. Copyright © 2017 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

  10. Advanced intermediate temperature sodium-nickel chloride batteries with ultra-high energy density.

    PubMed

    Li, Guosheng; Lu, Xiaochuan; Kim, Jin Y; Meinhardt, Kerry D; Chang, Hee Jung; Canfield, Nathan L; Sprenkle, Vincent L

    2016-02-11

    Sodium-metal halide batteries have been considered as one of the more attractive technologies for stationary electrical energy storage, however, they are not used for broader applications despite their relatively well-known redox system. One of the roadblocks hindering market penetration is the high-operating temperature. Here we demonstrate that planar sodium-nickel chloride batteries can be operated at an intermediate temperature of 190 °C with ultra-high energy density. A specific energy density of 350 Wh kg(-1), higher than that of conventional tubular sodium-nickel chloride batteries (280 °C), is obtained for planar sodium-nickel chloride batteries operated at 190 °C over a long-term cell test (1,000 cycles), and it attributed to the slower particle growth of the cathode materials at the lower operating temperature. Results reported here demonstrate that planar sodium-nickel chloride batteries operated at an intermediate temperature could greatly benefit this traditional energy storage technology by improving battery energy density, cycle life and reducing material costs.

  11. Advanced intermediate temperature sodium–nickel chloride batteries with ultra-high energy density

    PubMed Central

    Li, Guosheng; Lu, Xiaochuan; Kim, Jin Y.; Meinhardt, Kerry D.; Chang, Hee Jung; Canfield, Nathan L.; Sprenkle, Vincent L.

    2016-01-01

    Sodium-metal halide batteries have been considered as one of the more attractive technologies for stationary electrical energy storage, however, they are not used for broader applications despite their relatively well-known redox system. One of the roadblocks hindering market penetration is the high-operating temperature. Here we demonstrate that planar sodium–nickel chloride batteries can be operated at an intermediate temperature of 190 °C with ultra-high energy density. A specific energy density of 350 Wh kg−1, higher than that of conventional tubular sodium–nickel chloride batteries (280 °C), is obtained for planar sodium–nickel chloride batteries operated at 190 °C over a long-term cell test (1,000 cycles), and it attributed to the slower particle growth of the cathode materials at the lower operating temperature. Results reported here demonstrate that planar sodium–nickel chloride batteries operated at an intermediate temperature could greatly benefit this traditional energy storage technology by improving battery energy density, cycle life and reducing material costs. PMID:26864635

  12. Perspectives on High-Energy-Density Physics

    NASA Astrophysics Data System (ADS)

    Drake, R. Paul

    2008-11-01

    Much of 21st century plasma physics will involve work to produce, understand, control, and exploit very non-traditional plasmas. High-energy density (HED) plasmas are often examples, variously involving strong Coulomb interactions and few particles per Debeye sphere, dominant radiation effects, strongly relativistic effects, or strongly quantum-mechanical behavior. Indeed, these and other modern plasma systems often fall outside the early standard theoretical definitions of ``plasma''. This presentation will focus on two types of HED plasmas that exhibit non-traditional behavior. Our first example will be the plasmas produced by extremely strong shock waves. Shock waves are present across the entire realm of plasma densities, often in space or astrophysical contexts. HED shock waves (at pressures > 1 Mbar) enable studies in many areas, from equations of state to hydrodynamics to radiation hydrodynamics. We will specifically consider strongly radiative shocks, in which the radiative energy fluxes are comparable to the mechanical energy fluxes that drive the shocks. Modern HED facilities can produce such shocks, which are also present in dense, energetic, astrophysical systems such as supernovae. These shocks are also excellent targets for advanced simulations due to their range of spatial scales and complex radiation transport. Our second example will be relativistic plasmas. In general, these vary from plasmas containing relativistic particle beams, produced for some decades in the laboratory, to the relativistic thermal plasmas present for example in pulsar winds. Laboratory HED relativistic plasmas to date have been those produced by laser beams of irradiance ˜ 10^18 to 10^22 W/cm^2 or by accelerator-produced HED electron beams. These have applications ranging from generation of intense x-rays to production of proton beams for radiation therapy to acceleration of electrons. Here we will focus on electron acceleration, a spectacular recent success and a rare

  13. A Novel High Energy Density Rechargeable Hybrid Sodium-Air Cell with Acidic Electrolyte.

    PubMed

    Kang, Yao; Su, Fengmei; Zhang, Qingkai; Liang, Feng; Adair, Keegan R; Chen, Kunfeng; Xue, Dongfeng; Hayashi, Katsuro; Cao, Shan Cecilia; Yadegari, Hossein; Sun, Xueliang

    2018-06-22

    Low cost, high energy density and highly efficient devices for energy storage have long been desired in our society. Herein, a novel high energy density hybrid sodium-air cell was fabricated successfully based on acidic catholytes. Such a hybrid sodium-air cell possess a high theoretical voltage of 3.94 V, capacity of 1121 mAh g-1, and energy density of 4418 Wh kg-1. Firstly, the buffering effect of an acidic solution was demonstrated, which provides relatively long and stable cell discharge behaviours. Secondly, the catholyte of hybrid sodium-air cells were optimized systematically from the solutions of 0.1 M H3PO4 + 0.1 M Na2SO4 to 0.1 M HAc + 0.1 M NaAc, and it was found that the cells with 0.1 M H3PO4 + 0.1 M Na2SO4 displayed maximum power density of 34.9 mW cm-2. The cell with 0.1 M H3PO4 + 0.1 M Na2SO4 displayed higher discharge capacity of 896 mAh g-1. Moreover, the fabricated acidic hybrid sodium-air cells exhibited stable cycling performance in ambient air, and they delivered a low voltage gap around 0.3 V when the current density is 0.13 mA cm-2, leading to a high energy efficiency up to 90%. Therefore, the present study provides new opportunities to develop highly cost-effective energy storage technologies.

  14. Pyroelectric energy conversion with large energy and power density in relaxor ferroelectric thin films

    NASA Astrophysics Data System (ADS)

    Pandya, Shishir; Wilbur, Joshua; Kim, Jieun; Gao, Ran; Dasgupta, Arvind; Dames, Chris; Martin, Lane W.

    2018-05-01

    The need for efficient energy utilization is driving research into ways to harvest ubiquitous waste heat. Here, we explore pyroelectric energy conversion from low-grade thermal sources that exploits strong field- and temperature-induced polarization susceptibilities in the relaxor ferroelectric 0.68Pb(Mg1/3Nb2/3)O3-0.32PbTiO3. Electric-field-driven enhancement of the pyroelectric response (as large as -550 μC m-2 K-1) and suppression of the dielectric response (by 72%) yield substantial figures of merit for pyroelectric energy conversion. Field- and temperature-dependent pyroelectric measurements highlight the role of polarization rotation and field-induced polarization in mediating these effects. Solid-state, thin-film devices that convert low-grade heat into electrical energy are demonstrated using pyroelectric Ericsson cycles, and optimized to yield maximum energy density, power density and efficiency of 1.06 J cm-3, 526 W cm-3 and 19% of Carnot, respectively; the highest values reported to date and equivalent to the performance of a thermoelectric with an effective ZT ≈ 1.16 for a temperature change of 10 K. Our findings suggest that pyroelectric devices may be competitive with thermoelectric devices for low-grade thermal harvesting.

  15. Pyroelectric energy conversion with large energy and power density in relaxor ferroelectric thin films.

    PubMed

    Pandya, Shishir; Wilbur, Joshua; Kim, Jieun; Gao, Ran; Dasgupta, Arvind; Dames, Chris; Martin, Lane W

    2018-05-01

    The need for efficient energy utilization is driving research into ways to harvest ubiquitous waste heat. Here, we explore pyroelectric energy conversion from low-grade thermal sources that exploits strong field- and temperature-induced polarization susceptibilities in the relaxor ferroelectric 0.68Pb(Mg 1/3 Nb 2/3 )O 3 -0.32PbTiO 3 . Electric-field-driven enhancement of the pyroelectric response (as large as -550 μC m -2  K -1 ) and suppression of the dielectric response (by 72%) yield substantial figures of merit for pyroelectric energy conversion. Field- and temperature-dependent pyroelectric measurements highlight the role of polarization rotation and field-induced polarization in mediating these effects. Solid-state, thin-film devices that convert low-grade heat into electrical energy are demonstrated using pyroelectric Ericsson cycles, and optimized to yield maximum energy density, power density and efficiency of 1.06 J cm -3 , 526 W cm -3 and 19% of Carnot, respectively; the highest values reported to date and equivalent to the performance of a thermoelectric with an effective ZT ≈ 1.16 for a temperature change of 10 K. Our findings suggest that pyroelectric devices may be competitive with thermoelectric devices for low-grade thermal harvesting.

  16. Indirect Measurement of Energy Density of Soft PZT Ceramic Utilizing Mechanical Stress

    NASA Astrophysics Data System (ADS)

    Unruan, Muangjai; Unruan, Sujitra; Inkong, Yutthapong; Yimnirun, Rattikorn

    2017-11-01

    This paper reports on an indirect measurement of energy density of soft PZT ceramic utilizing mechanical stress. The method works analogous to the Olsen cycle and allows for a large amount of electro-mechanical energy conversion. A maximum energy density of 350 kJ/m3/cycle was found under 0-312 MPa and 1-20 kV/cm of applied mechanical stress and electric field, respectively. The obtained result is substantially higher than the results reported in previous studies of PZT materials utilizing a direct piezoelectric effect.

  17. Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles.

    PubMed

    Wei, Yaochi; Chen, Shaohua

    2015-12-01

    The surface energy density of nano-sized elements exhibits a significantly size-dependent behavior. Spherical nanoparticle, as an important element in nano-devices and nano-composites, has attracted many interesting studies on size effect, most of which are molecular dynamics (MD) simulations. However, the existing MD calculations yield two opposite size-dependent trends of surface energy density of nanoparticles. In order to clarify such a real underlying problem, atomistic calculations are carried out in the present paper for various spherical face-centered-cubic (fcc) metallic nanoparticles. Both the embedded atom method (EAM) potential and the modified embedded atom method (MEAM) one are adopted. It is found that the size-dependent trend of surface energy density of nanoparticles is not governed by the chosen potential function or variation trend of surface energy, but by the defined radius of spherical nanoparticles in MD models. The finding in the present paper should be helpful for further theoretical studies on surface/interface effect of nanoparticles and nanoparticle-reinforced composites.

  18. Reviving lithium cobalt oxide-based lithium secondary batteries-toward a higher energy density.

    PubMed

    Wang, Longlong; Chen, Bingbing; Ma, Jun; Cui, Guanglei; Chen, Liquan

    2018-06-29

    By breaking through the energy density limits step-by-step, the use of lithium cobalt oxide-based Li-ion batteries (LCO-based LIBs) has led to the unprecedented success of consumer electronics over the past 27 years. Recently, strong demands for the quick renewal of the properties of electronic products every so often have resulted in smarter, larger screened, more lightweight devices with longer standby times that have pushed the energy density of LCO-based LIBs nearly to their limit. As a result, with the aim of achieving a higher energy density and lifting the upper cut-off voltage of LCO above 4.45 V (vs. Li/Li+), the development of LCO-based all-solid-state lithium batteries (ASSLBs) with a Li metal anode and LCO-based full cells with high-performance anodes have become urgent scientific and technological requirements. This review summarizes the key challenges of synthesizing LCO-based LBs with a higher energy density from the perspectives of structure and interface stability, and gives an account of effective modification strategies in view of the electrodes, liquid electrolytes, binders, separators, solid electrolytes and LCO-based full cells. The improvement mechanisms of these modification strategies and the controversy over them are also analyzed critically. Moreover, some perspectives regarding the remaining challenges for LCO-based LBs towards a higher energy density and possible future research focuses are also presented.

  19. Energy and nutrient density of foods in relation to their carbon footprint.

    PubMed

    Drewnowski, Adam; Rehm, Colin D; Martin, Agnes; Verger, Eric O; Voinnesson, Marc; Imbert, Philippe

    2015-01-01

    A carbon footprint is the sum of greenhouse gas emissions (GHGEs) associated with food production, processing, transporting, and retailing. We examined the relation between the energy and nutrient content of foods and associated GHGEs as expressed as g CO2 equivalents. GHGE values, which were calculated and provided by a French supermarket chain, were merged with the Composition Nutritionnelle des Aliments (French food-composition table) nutrient-composition data for 483 foods and beverages from the French Agency for Food, Environmental and Occupational Health and Safety. Foods were aggregated into 34 food categories and 5 major food groups as follows: meat and meat products, milk and dairy products, frozen and processed fruit and vegetables, grains, and sweets. Energy density was expressed as kcal/100 g. Nutrient density was determined by using 2 alternative nutrient-density scores, each based on the sum of the percentage of daily values for 6 or 15 nutrients, respectively. The energy and nutrient densities of foods were linked to log-transformed GHGE values expressed per 100 g or 100 kcal. Grains and sweets had lowest GHGEs (per 100 g and 100 kcal) but had high energy density and a low nutrient content. The more-nutrient-dense animal products, including meat and dairy, had higher GHGE values per 100 g but much lower values per 100 kcal. In general, a higher nutrient density of foods was associated with higher GHGEs per 100 kcal, although the slopes of fitted lines varied for meat and dairy compared with fats and sweets. Considerations of the environmental impact of foods need to be linked to concerns about nutrient density and health. The point at which the higher carbon footprint of some nutrient-dense foods is offset by their higher nutritional value is a priority area for additional research. © 2015 American Society for Nutrition.

  20. A high energy-density nickel-hydrogen battery design

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

    Miller, L.

    1982-09-01

    A light-weight Ni-H/sub 2/ battery design concept (projected energy-density 46.7 Whr/Kg or 21.2 Whr/Lb) suitable for immediate or near-term spacecraft integration is described. The proposed design does not violate proven and qualified design concepts, or critical electrochemical component designs or functions.

  1. Energy density functional on a microscopic basis

    NASA Astrophysics Data System (ADS)

    Baldo, M.; Robledo, L.; Schuck, P.; Viñas, X.

    2010-06-01

    In recent years impressive progress has been made in the development of highly accurate energy density functionals, which allow us to treat medium-heavy nuclei. In this approach one tries to describe not only the ground state but also the first relevant excited states. In general, higher accuracy requires a larger set of parameters, which must be carefully chosen to avoid redundancy. Following this line of development, it is unavoidable that the connection of the functional with the bare nucleon-nucleon interaction becomes more and more elusive. In principle, the construction of a density functional from a density matrix expansion based on the effective nucleon-nucleon interaction is possible, and indeed the approach has been followed by few authors. However, to what extent a density functional based on such a microscopic approach can reach the accuracy of the fully phenomenological ones remains an open question. A related question is to establish which part of a functional can be actually derived by a microscopic approach and which part, in contrast, must be left as purely phenomenological. In this paper we discuss the main problems that are encountered when the microscopic approach is followed. To this purpose we will use the method we have recently introduced to illustrate the different aspects of these problems. In particular we will discuss the possible connection of the density functional with the nuclear matter equation of state and the distinct features of finite-size effect typical of nuclei.

  2. Effects of Differing Energy Dependences in Three Level-Density Models on Calculated Cross Sections

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

    Fu, C.Y.

    2000-07-15

    Three level-density formalisms commonly used for cross-section calculations are examined. Residual nuclides in neutron interaction with {sup 58}Ni are chosen to quantify the well-known differences in the energy dependences of the three formalisms. Level-density parameters for the Gilbert and Cameron model are determined from experimental information. Parameters for the back-shifted Fermi-gas and generalized superfluid models are obtained by fitting their level densities at two selected energies for each nuclide to those of the Gilbert and Cameron model, forcing the level densities of the three models to be as close as physically allowed. The remaining differences are in their energy dependencesmore » that, it is shown, can change the calculated cross sections and particle emission spectra significantly, in some cases or energy ranges by a factor of 2.« less

  3. Electromagnetic potentials basis for energy density and power flux

    NASA Astrophysics Data System (ADS)

    Puthoff, H. E.

    2016-09-01

    In rounding out the education of students in advanced courses in applied electromagnetics it is incumbent on us as mentors to raise issues that encourage appreciation of certain subtle aspects that are often overlooked during first exposure to the field. One of these has to do with the interplay between fields and potentials, with the latter often seen as just a convenient mathematical artifice useful in solving Maxwell’s equations. Nonetheless, to those practiced in application it is well understood that various alternatives in the use of fields and potentials are available within electromagnetic (EM) theory for the definitions of energy density, momentum transfer, EM stress-energy tensor, and so forth. Although the various options are all compatible with the basic equations of electrodynamics (e.g., Maxwell’s equations, Lorentz force law, gauge invariance), nonetheless certain alternative formulations lend themselves to being seen as preferable to others with regard to the transparency of their application to physical problems of interest. Here we argue for the transparency of an energy density/power flux option based on the EM potentials alone.

  4. Nonlinear dielectric thin films for high-power electric storage with energy density comparable with electrochemical supercapacitors.

    PubMed

    Yao, Kui; Chen, Shuting; Rahimabady, Mojtaba; Mirshekarloo, Meysam Sharifzadeh; Yu, Shuhui; Tay, Francis Eng Hock; Sritharan, Thirumany; Lu, Li

    2011-09-01

    Although batteries possess high energy storage density, their output power is limited by the slow movement of charge carriers, and thus capacitors are often required to deliver high power output. Dielectric capacitors have high power density with fast discharge rate, but their energy density is typically much lower than electrochemical supercapacitors. Increasing the energy density of dielectric materials is highly desired to extend their applications in many emerging power system applications. In this paper, we review the mechanisms and major characteristics of electric energy storage with electrochemical supercapacitors and dielectric capacitors. Three types of in-house-produced ferroic nonlinear dielectric thin film materials with high energy density are described, including (Pb(0.97)La(0.02))(Zr(0.90)Sn(0.05)Ti(0.05))O(3) (PLZST) antiferroelectric ceramic thin films, Pb(Zn(1/3)Nb(2/3))O(3-)Pb(Mg(1/3)Nb(2/3))O(3-)PbTiO(3) (PZN-PMN-PT) relaxor ferroelectric ceramic thin films, and poly(vinylidene fluoride) (PVDF)-based polymer blend thin films. The results showed that these thin film materials are promising for electric storage with outstandingly high power density and fairly high energy density, comparable with electrochemical supercapacitors.

  5. An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics

    DOE PAGES

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; ...

    2016-02-10

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 10 23 cm ₋3more » in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. We found the 50 ± 15 μm spatial resolution achieved across the full field of view was limited by the x-ray source-size, similar to conventional radiography.« less

  6. Local thermodynamic equilibrium in rapidly heated high energy density plasmas

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

    Aslanyan, V.; Tallents, G. J.

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

  7. Rationally designed polyimides for high-energy density capacitor applications.

    PubMed

    Ma, Rui; Baldwin, Aaron F; Wang, Chenchen; Offenbach, Ido; Cakmak, Mukerrem; Ramprasad, Rampi; Sotzing, Gregory A

    2014-07-09

    Development of new dielectric materials is of great importance for a wide range of applications for modern electronics and electrical power systems. The state-of-the-art polymer dielectric is a biaxially oriented polypropylene (BOPP) film having a maximal energy density of 5 J/cm(3) and a high breakdown field of 700 MV/m, but with a limited dielectric constant (∼2.2) and a reduced breakdown strength above 85 °C. Great effort has been put into exploring other materials to fulfill the demand of continuous miniaturization and improved functionality. In this work, a series of polyimides were investigated as potential polymer materials for this application. Polyimide with high dielectric constants of up to 7.8 that exhibits low dissipation factors (<1%) and high energy density around 15 J/cm(3), which is 3 times that of BOPP, was prepared. Our syntheses were guided by high-throughput density functional theory calculations for rational design in terms of a high dielectric constant and band gap. Correlations of experimental and theoretical results through judicious variations of polyimide structures allowed for a clear demonstration of the relationship between chemical functionalities and dielectric properties.

  8. Determination of Energy Independent Neutron Densities using Dirac Phenomenology based on the RIA

    NASA Astrophysics Data System (ADS)

    Clark, B. C.; Kerr, L. J.; Hama, S.; Mercer, R. L.

    2002-04-01

    A new method for extracting neutron densities from intermediate energy elastic proton-nucleus scattering observables using a global Dirac phenomenological (DP) approach based on the Relativistic Impulse Approximation (RIA) is presented. (B. C. Clark, et al.) BAPS Vol 46, No. 7 pg.139, 2001. We have considered data sets for ^40Ca, ^48Ca and ^208Pb and energies from 500 MeV to 1040 MeV. The global fits are successful in reproducing the data and in predicting data sets not included in the analysis. Using this global DP approach we have obtained energy independent neutron densities. The vector point proton density distribution, ρ^p_v, is determined from the empirical charge density after unfolding the proton form factor. The other densities, ρ^n_v, ρ^p_s, ρ^n_s, are parameterized using the cosh form given in our paper on global DP optical potentials.(E. D. Cooper, et al.) Phys Rev. 47C, pg. 297, 1993 Neutron skin thicknesses extracted using the global analysis are compared to predictions from theoretical models.

  9. High-Energy-Density Metal-Oxygen Batteries: Lithium-Oxygen Batteries vs Sodium-Oxygen Batteries.

    PubMed

    Song, Kyeongse; Agyeman, Daniel Adjei; Park, Mihui; Yang, Junghoon; Kang, Yong-Mook

    2017-12-01

    The development of next-generation energy-storage devices with high power, high energy density, and safety is critical for the success of large-scale energy-storage systems (ESSs), such as electric vehicles. Rechargeable sodium-oxygen (Na-O 2 ) batteries offer a new and promising opportunity for low-cost, high-energy-density, and relatively efficient electrochemical systems. Although the specific energy density of the Na-O 2 battery is lower than that of the lithium-oxygen (Li-O 2 ) battery, the abundance and low cost of sodium resources offer major advantages for its practical application in the near future. However, little has so far been reported regarding the cell chemistry, to explain the rate-limiting parameters and the corresponding low round-trip efficiency and cycle degradation. Consequently, an elucidation of the reaction mechanism is needed for both lithium-oxygen and sodium-oxygen cells. An in-depth understanding of the differences and similarities between Li-O 2 and Na-O 2 battery systems, in terms of thermodynamics and a structural viewpoint, will be meaningful to promote the development of advanced metal-oxygen batteries. State-of-the-art battery design principles for high-energy-density lithium-oxygen and sodium-oxygen batteries are thus reviewed in depth here. Major drawbacks, reaction mechanisms, and recent strategies to improve performance are also summarized. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. High energy density micro-fiber based nickel electrode for aerospace batteries

    NASA Technical Reports Server (NTRS)

    Francisco, Jennifer; Chiappetti, Dennis; Coates, Dwaine

    1996-01-01

    The nickel electrode is the specific energy limiting component in battery systems such as nickel-hydrogen, nickel-metal hydride and nickel-zinc. Lightweight, high energy density nickel electrodes have been developed which deliver in excess of 180 mAh/g at the one-hour discharge rate. These electrodes are based on a highly porous, nickel micro-fiber (less than 10 micron diameter) substrate, electrochemically impregnated with nickel-hydroxide active material. Electrodes are being tested both as a flooded half-cell and in full nickel-hydrogen and nickel-metal hydride cells. The electrode technology developed is applicable to commercial nickel-based batteries for applications such as electric vehicles, cellular telephones and laptop computers and for low-cost, high energy density military and aerospace applications.

  11. High energy density redox flow device

    DOEpatents

    Chiang, Yet-Ming; Carter, W. Craig; Ho, Bryan Y; Duduta, Mihai; Limthongkul, Pimpa

    2014-05-13

    Redox flow devices are described in which at least one of the positive electrode or negative electrode-active materials is a semi-solid or is a condensed ion-storing electroactive material, and in which at least one of the electrode-active materials is transported to and from an assembly at which the electrochemical reaction occurs, producing electrical energy. The electronic conductivity of the semi-solid is increased by the addition of conductive particles to suspensions and/or via the surface modification of the solid in semi-solids (e.g., by coating the solid with a more electron conductive coating material to increase the power of the device). High energy density and high power redox flow devices are disclosed. The redox flow devices described herein can also include one or more inventive design features. In addition, inventive chemistries for use in redox flow devices are also described.

  12. Visualization and analysis of pulsed ion beam energy density profile with infrared imaging

    NASA Astrophysics Data System (ADS)

    Isakova, Y. I.; Pushkarev, A. I.

    2018-03-01

    Infrared imaging technique was used as a surface temperature-mapping tool to characterize the energy density distribution of intense pulsed ion beams on a thin metal target. The technique enables the measuring of the total ion beam energy and the energy density distribution along the cross section and allows one to optimize the operation of an ion diode and control target irradiation mode. The diagnostics was tested on the TEMP-4M accelerator at TPU, Tomsk, Russia and on the TEMP-6 accelerator at DUT, Dalian, China. The diagnostics was applied in studies of the dynamics of the target cooling in vacuum after irradiation and in the experiments with target ablation. Errors caused by the target ablation and target cooling during measurements have been analyzed. For Fluke Ti10 and Fluke Ti400 infrared cameras, the technique can achieve surface energy density sensitivity of 0.05 J/cm2 and spatial resolution of 1-2 mm. The thermal imaging diagnostics does not require expensive consumed materials. The measurement time does not exceed 0.1 s; therefore, this diagnostics can be used for the prompt evaluation of the energy density distribution of a pulsed ion beam and during automation of the irradiation process.

  13. Theoretical Limits of Energy Density in Silicon-Carbon Composite Anode Based Lithium Ion Batteries.

    PubMed

    Dash, Ranjan; Pannala, Sreekanth

    2016-06-17

    Silicon (Si) is under consideration as a potential next-generation anode material for the lithium ion battery (LIB). Experimental reports of up to 40% increase in energy density of Si anode based LIBs (Si-LIBs) have been reported in literature. However, this increase in energy density is achieved when the Si-LIB is allowed to swell (volumetrically expand) more than graphite based LIB (graphite-LIB) and beyond practical limits. The volume expansion of LIB electrodes should be negligible for applications such as automotive or mobile devices. We determine the theoretical bounds of Si composition in a Si-carbon composite (SCC) based anode to maximize the volumetric energy density of a LIB by constraining the external dimensions of the anode during charging. The porosity of the SCC anode is adjusted to accommodate the volume expansion during lithiation. The calculated threshold value of Si was then used to determine the possible volumetric energy densities of LIBs with SCC anode (SCC-LIBs) and the potential improvement over graphite-LIBs. The level of improvement in volumetric and gravimetric energy density of SCC-LIBs with constrained volume is predicted to be less than 10% to ensure the battery has similar power characteristics of graphite-LIBs.

  14. Theoretical Limits of Energy Density in Silicon-Carbon Composite Anode Based Lithium Ion Batteries

    PubMed Central

    Dash, Ranjan; Pannala, Sreekanth

    2016-01-01

    Silicon (Si) is under consideration as a potential next-generation anode material for the lithium ion battery (LIB). Experimental reports of up to 40% increase in energy density of Si anode based LIBs (Si-LIBs) have been reported in literature. However, this increase in energy density is achieved when the Si-LIB is allowed to swell (volumetrically expand) more than graphite based LIB (graphite-LIB) and beyond practical limits. The volume expansion of LIB electrodes should be negligible for applications such as automotive or mobile devices. We determine the theoretical bounds of Si composition in a Si–carbon composite (SCC) based anode to maximize the volumetric energy density of a LIB by constraining the external dimensions of the anode during charging. The porosity of the SCC anode is adjusted to accommodate the volume expansion during lithiation. The calculated threshold value of Si was then used to determine the possible volumetric energy densities of LIBs with SCC anode (SCC-LIBs) and the potential improvement over graphite-LIBs. The level of improvement in volumetric and gravimetric energy density of SCC-LIBs with constrained volume is predicted to be less than 10% to ensure the battery has similar power characteristics of graphite-LIBs. PMID:27311811

  15. Use of nonlinear programming to optimize performance response to energy density in broiler feed formulation.

    PubMed

    Guevara, V R

    2004-02-01

    A nonlinear programming optimization model was developed to maximize margin over feed cost in broiler feed formulation and is described in this paper. The model identifies the optimal feed mix that maximizes profit margin. Optimum metabolizable energy level and performance were found by using Excel Solver nonlinear programming. Data from an energy density study with broilers were fitted to quadratic equations to express weight gain, feed consumption, and the objective function income over feed cost in terms of energy density. Nutrient:energy ratio constraints were transformed into equivalent linear constraints. National Research Council nutrient requirements and feeding program were used for examining changes in variables. The nonlinear programming feed formulation method was used to illustrate the effects of changes in different variables on the optimum energy density, performance, and profitability and was compared with conventional linear programming. To demonstrate the capabilities of the model, I determined the impact of variation in prices. Prices for broiler, corn, fish meal, and soybean meal were increased and decreased by 25%. Formulations were identical in all other respects. Energy density, margin, and diet cost changed compared with conventional linear programming formulation. This study suggests that nonlinear programming can be more useful than conventional linear programming to optimize performance response to energy density in broiler feed formulation because an energy level does not need to be set.

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

    PubMed

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

    2012-09-01

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

  17. Energy-density enhancement of carbon-nanotube-based supercapacitors with redox couple in organic electrolyte.

    PubMed

    Park, Jinwoo; Kim, Byungwoo; Yoo, Young-Eun; Chung, Haegeun; Kim, Woong

    2014-11-26

    We demonstrate for the first time that the incorporation of a redox-active molecule in an organic electrolyte can increase the cell voltage of a supercapacitor. The redox molecule also contributes to increasing the cell capacitance by a faradaic redox reaction, and therefore the energy density of the supercapacitor can be significantly increased. More specifically, the addition of redox-active decamethylferrocene in an organic electrolyte results in an approximately 27-fold increase in the energy density of carbon-nanotube-based supercapacitors. The resulting high energy density (36.8 Wh/kg) stems from the increased cell voltage (1.1 V→2.1 V) and cell capacitance (8.3 F/g→61.3 F/g) resulting from decamethylferrocene addition. We found that the voltage increase is associated with the potential of the redox species relative to the electrochemical stability window of the supporting electrolyte. These results will be useful in identifying new electrolytes for high-energy-density supercapacitors.

  18. Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers

    PubMed Central

    Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R.

    2017-01-01

    There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO3 NFs achieved the maximal energy storage density of 15.48 J/cm3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites. PMID:28332636

  19. Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers

    NASA Astrophysics Data System (ADS)

    Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R.

    2017-03-01

    There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO3 NFs achieved the maximal energy storage density of 15.48 J/cm3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites.

  20. Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers.

    PubMed

    Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R

    2017-03-23

    There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO 3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO 3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO 3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO 3 NFs achieved the maximal energy storage density of 15.48 J/cm 3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites.

  1. Silver Niobate Lead-Free Antiferroelectric Ceramics: Enhancing Energy Storage Density by B-Site Doping.

    PubMed

    Zhao, Lei; Gao, Jing; Liu, Qing; Zhang, Shujun; Li, Jing-Feng

    2018-01-10

    Lead-free dielectric ceramics with high recoverable energy density are highly desired to sustainably meet the future energy demand. AgNbO 3 -based lead-free antiferroelectric ceramics with double ferroelectric hysteresis loops have been proved to be potential candidates for energy storage applications. Enhanced energy storage performance with recoverable energy density of 3.3 J/cm 3 and high thermal stability with minimal energy density variation (<10%) over a temperature range of 20-120 °C have been achieved in W-modified AgNbO 3 ceramics. It is revealed that the W 6+ cations substitute the B-site Nb 5+ and reduce the polarizability of B-site cations, leading to the enhanced antiferroelectricity, which is confirmed by the polarization hysteresis and dielectric tunability. It is believed that the polarizability of B-site cations plays a dominant role in stabilizing the antiferroelectricity in AgNbO 3 system, in addition to the tolerance factor, which opens up a new design approach to achieve stable antiferroelectric materials.

  2. Talbot-Lau x-ray interferometry for high energy density plasma diagnostic.

    PubMed

    Stutman, D; Finkenthal, M

    2011-11-01

    High resolution density diagnostics are difficult in high energy density laboratory plasmas (HEDLP) experiments due to the scarcity of probes that can penetrate above solid density plasmas. Hard x-rays are one possible probe for such dense plasmas. We study the possibility of applying an x-ray method recently developed for medical imaging, differential phase-contrast with Talbot-Lau interferometers, for the diagnostic of electron density and small-scale hydrodynamic instabilities in HEDLP experiments. The Talbot method uses micro-periodic gratings to measure the refraction and ultra-small angle scatter of x-rays through an object and is attractive for HEDLP diagnostic due to its capability to work with incoherent and polychromatic x-ray sources such as the laser driven backlighters used for HEDLP radiography. Our paper studies the potential of the Talbot method for HEDLP diagnostic, its adaptation to the HEDLP environment, and its extension of high x-ray energy using micro-periodic mirrors. The analysis is illustrated with experimental results obtained using a laboratory Talbot interferometer. © 2011 American Institute of Physics

  3. Application of a high-energy-density permanent magnet material in underwater systems

    NASA Astrophysics Data System (ADS)

    Cho, C. P.; Egan, C.; Krol, W. P.

    1996-06-01

    This paper addresses the application of high-energy-density permanent magnet (PM) technology to (1) the brushless, axial-field PM motor and (2) the integrated electric motor/pump system for under-water applications. Finite-element analysis and lumped parameter magnetic circuit analysis were used to calculate motor parameters and performance characteristics and to conduct tradeoff studies. Compact, efficient, reliable, and quiet underwater systems are attainable with the development of high-energy-density PM material, power electronic devices, and power integrated-circuit technology.

  4. Neutron densities from a global analysis of medium-energy proton-nucleus elastic scattering

    NASA Astrophysics Data System (ADS)

    Clark, B. C.; Kerr, L. J.; Hama, S.

    2003-05-01

    A new method for extracting neutron densities from intermediate-energy elastic proton-nucleus scattering observables uses a global Dirac phenomenological approach based on the relativistic impulse approximation. Datasets for 40Ca, 48Ca, and 208Pb in the energy range from 500 MeV to 1040 MeV are considered. The global fits are successful in reproducing the data and in predicting datasets not included in the analysis. Using this global approach, energy-independent neutron densities are obtained. The vector point proton density distribution ρpv is determined from the empirical charge density after unfolding the proton form factor. The other densities, ρnv, ρps, ρns, are parametrized. This work provides energy-independent values for the rms neutron radius Rn and the neutron skin thickness Sn, in contrast to the energy-dependent values obtained by previous studies. In addition, the results presented in this paper show that the expected rms neutron radius and the skin thickness for 40Ca are accurately reproduced. The values of Rn and Sn obtained from the global fits that we consider to be the most reliable are given as follows: for 40Ca, 3.314>Rn>3.310 fm and -0.063>Sn >-0.067 fm; for 48Ca, 3.459>Rn>3.413 fm and 0.102>Sn>0.056 fm; and for 208Pb, 5.550>Rn>5.522 fm and 0.111>Sn>0.083 fm. These values are in reasonable agreement with nonrelativistic Skyrme-Hartree-Fock models and with relativistic Hartree-Bogoliubov models with density-dependent meson-nucleon couplings. The results from the global fits for 48Ca and 208Pb are generally not in agreement with the usual relativistic mean-field models.

  5. Edge-enriched, porous carbon-based, high energy density supercapacitors for hybrid electric vehicles.

    PubMed

    Kim, Yong Jung; Yang, Cheol-Min; Park, Ki Chul; Kaneko, Katsumi; Kim, Yoong Ahm; Noguchi, Minoru; Fujino, Takeshi; Oyama, Shigeki; Endo, Morinobu

    2012-03-12

    Supercapacitors can store and deliver energy by a simple charge separation, and thus they could be an attractive option to meet transient high energy density in operating fuel cells and in electric and hybrid electric vehicles. To achieve such requirements, intensive studies have been carried out to improve the volumetric capacitance in supercapacitors using various types and forms of carbons including carbon nanotubes and graphenes. However, conventional porous carbons are not suitable for use as electrode material in supercapacitors for such high energy density applications. Here, we show that edge-enriched porous carbons are the best electrode material for high energy density supercapacitors to be used in vehicles as an auxiliary powertrain. Molten potassium hydroxide penetrates well-aligned graphene layers vertically and consequently generates both suitable pores that are easily accessible to the electrolyte and a large fraction of electrochemically active edge sites. We expect that our findings will motivate further research related to energy storage devices and also environmentally friendly electric vehicles. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Dehydration of seabird prey during transport to the colony: Effects on wet weight energy densities

    USGS Publications Warehouse

    Montevecchi, W.A.; Piatt, John F.

    1987-01-01

    We present evidence to indicate that dehydration of prey transported by seabirds from capture sites at sea to chicks at colonies inflates estimates of wet weight energy densities. These findings and a comparison of wet and dry weight energy densities reported in the literature emphasize the importance of (i) accurate measurement of the fresh weight and water content of prey, (ii) use of dry weight energy densities in comparisons among species, seasons, and regions, and (iii) cautious interpretation and extrapolation of existing data sets.

  7. Microelectromechanical high-density energy storage/rapid release system

    NASA Astrophysics Data System (ADS)

    Rodgers, M. Steven; Allen, James J.; Meeks, Kent D.; Jensen, Brian D.; Miller, Samuel L.

    1999-08-01

    One highly desirable characteristic of electrostatically driven microelectromechanical systems (MEMS) is that they consume very little power. The corresponding drawback is that the force they produce may be inadequate for many applications. It has previously been demonstrated that gear reduction units or microtransmissions can substantially increase the torque generated by microengines. Operating speed, however, is also reduced by the transmission gear ratio. Some applications require both high speed and high force. If this output is only required for a limited period of time, then energy could be stored in a mechanical system and rapidly released upon demand. We have designed, fabricated, and demonstrated a high-density energy storage/rapid release system that accomplishes this task. Built using a 5-level surface micromachining technology, the assembly closely resembles a medieval crossbow. Energy releases on the order of tens of nanojoules have already been demonstrated, and significantly higher energy systems are under development.

  8. Energy boost in laser wakefield accelerators using sharp density transitions

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

    Döpp, A.; Guillaume, E.; Thaury, C.

    The energy gain in laser wakefield accelerators is limited by dephasing between the driving laser pulse and the highly relativistic electrons in its wake. Since this phase depends on both the driver and the cavity length, the effects of dephasing can be mitigated with appropriate tailoring of the plasma density along propagation. Preceding studies have discussed the prospects of continuous phase-locking in the linear wakefield regime. However, most experiments are performed in the highly non-linear regime and rely on self-guiding of the laser pulse. Due to the complexity of the driver evolution in this regime, it is much more difficultmore » to achieve phase locking. As an alternative, we study the scenario of rapid rephasing in sharp density transitions, as was recently demonstrated experimentally. Starting from a phenomenological model, we deduce expressions for the electron energy gain in such density profiles. The results are in accordance with particle-in-cell simulations, and we present gain estimations for single and multiple stages of rephasing.« less

  9. Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

    NASA Astrophysics Data System (ADS)

    Vuckovic, Stefan; Levy, Mel; Gori-Giorgi, Paola

    2017-12-01

    The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shifted with respect to the standard exchange-correlation potential of the Kohn-Sham density functional theory by a density-dependent constant that makes the total energy become equal to the sum of the occupied orbital energies. In this work, we analyze several features of this approach, focusing on the limit of infinite coupling strength and studying the shift and the corresponding energy density at different correlation regimes. We present and discuss coordinate scaling properties of the augmented potential, study its connection to the response potential, and use the shift to analyze the classical jellium and uniform gas models. We also study other definitions of the energy densities in relation to the functional construction by local interpolations along the adiabatic connection. Our findings indicate that the energy density that is defined in terms of the electrostatic potential of the exchange-correlation hole is particularly well suited for this purpose.

  10. Biopolymer-nanocarbon composite electrodes for use as high-energy high-power density electrodes

    NASA Astrophysics Data System (ADS)

    Karakaya, Mehmet; Roberts, Mark; Arcilla-Velez, Margarita; Zhu, Jingyi; Podila, Ramakrishna; Rao, Apparao

    2014-03-01

    Supercapacitors (SCs) address our current energy storage and delivery needs by combining the high power, rapid switching, and exceptional cycle life of a capacitor with the high energy density of a battery. Although activated carbon is extensively used as a supercapacitor electrode due to its inexpensive nature, its low specific capacitance (100-120 F/g) fundamentally limits the energy density of SCs. We demonstrate that a nano-carbon based mechanically robust, electrically conducting, free-standing buckypaper electrode modified with an inexpensive biorenewable polymer, viz., lignin increases the electrode's specific capacitance (~ 600-700 F/g) while maintaining rapid discharge rates. In these systems, the carbon nanomaterials provide the high surface area, electrical conductivity and porosity, while the redox polymers provide a mechanism for charge storage through Faradaic charge transfer. The design of redox polymers and their incorporation into nanomaterial electrodes will be discussed with a focus on enabling high power and high energy density electrodes. Research supported by US NSF CMMI Grant 1246800.

  11. High energy density rechargeable magnesium battery using earth-abundant and non-toxic elements

    NASA Astrophysics Data System (ADS)

    Orikasa, Yuki; Masese, Titus; Koyama, Yukinori; Mori, Takuya; Hattori, Masashi; Yamamoto, Kentaro; Okado, Tetsuya; Huang, Zhen-Dong; Minato, Taketoshi; Tassel, Cédric; Kim, Jungeun; Kobayashi, Yoji; Abe, Takeshi; Kageyama, Hiroshi; Uchimoto, Yoshiharu

    2014-07-01

    Rechargeable magnesium batteries are poised to be viable candidates for large-scale energy storage devices in smart grid communities and electric vehicles. However, the energy density of previously proposed rechargeable magnesium batteries is low, limited mainly by the cathode materials. Here, we present new design approaches for the cathode in order to realize a high-energy-density rechargeable magnesium battery system. Ion-exchanged MgFeSiO4 demonstrates a high reversible capacity exceeding 300 mAh.g-1 at a voltage of approximately 2.4 V vs. Mg. Further, the electronic and crystal structure of ion-exchanged MgFeSiO4 changes during the charging and discharging processes, which demonstrates the (de)insertion of magnesium in the host structure. The combination of ion-exchanged MgFeSiO4 with a magnesium bis(trifluoromethylsulfonyl)imide-triglyme electrolyte system proposed in this work provides a low-cost and practical rechargeable magnesium battery with high energy density, free from corrosion and safety problems.

  12. High–energy density nonaqueous all redox flow lithium battery enabled with a polymeric membrane

    PubMed Central

    Jia, Chuankun; Pan, Feng; Zhu, Yun Guang; Huang, Qizhao; Lu, Li; Wang, Qing

    2015-01-01

    Redox flow batteries (RFBs) are considered one of the most promising large-scale energy storage technologies. However, conventional RFBs suffer from low energy density due to the low solubility of the active materials in electrolyte. On the basis of the redox targeting reactions of battery materials, the redox flow lithium battery (RFLB) demonstrated in this report presents a disruptive approach to drastically enhancing the energy density of flow batteries. With LiFePO4 and TiO2 as the cathodic and anodic Li storage materials, respectively, the tank energy density of RFLB could reach ~500 watt-hours per liter (50% porosity), which is 10 times higher than that of a vanadium redox flow battery. The cell exhibits good electrochemical performance under a prolonged cycling test. Our prototype RFLB full cell paves the way toward the development of a new generation of flow batteries for large-scale energy storage. PMID:26702440

  13. High-energy density nonaqueous all redox flow lithium battery enabled with a polymeric membrane.

    PubMed

    Jia, Chuankun; Pan, Feng; Zhu, Yun Guang; Huang, Qizhao; Lu, Li; Wang, Qing

    2015-11-01

    Redox flow batteries (RFBs) are considered one of the most promising large-scale energy storage technologies. However, conventional RFBs suffer from low energy density due to the low solubility of the active materials in electrolyte. On the basis of the redox targeting reactions of battery materials, the redox flow lithium battery (RFLB) demonstrated in this report presents a disruptive approach to drastically enhancing the energy density of flow batteries. With LiFePO4 and TiO2 as the cathodic and anodic Li storage materials, respectively, the tank energy density of RFLB could reach ~500 watt-hours per liter (50% porosity), which is 10 times higher than that of a vanadium redox flow battery. The cell exhibits good electrochemical performance under a prolonged cycling test. Our prototype RFLB full cell paves the way toward the development of a new generation of flow batteries for large-scale energy storage.

  14. High energy density Z-pinch plasmas using flow stabilization

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

    Shumlak, U., E-mail: shumlak@uw.edu; Golingo, R. P., E-mail: shumlak@uw.edu; Nelson, B. A., E-mail: shumlak@uw.edu

    The ZaP Flow Z-Pinch research project[1] at the University of Washington investigates the effect of sheared flows on MHD instabilities. Axially flowing Z-pinch plasmas are produced that are 100 cm long with a 1 cm radius. The plasma remains quiescent for many radial Alfvén times and axial flow times. The quiescent periods are characterized by low magnetic mode activity measured at several locations along the plasma column and by stationary visible plasma emission. Plasma evolution is modeled with high-resolution simulation codes – Mach2, WARPX, NIMROD, and HiFi. Plasma flow profiles are experimentally measured with a multi-chord ion Doppler spectrometer. Amore » sheared flow profile is observed to be coincident with the quiescent period, and is consistent with classical plasma viscosity. Equilibrium is determined by diagnostic measurements: interferometry for density; spectroscopy for ion temperature, plasma flow, and density[2]; Thomson scattering for electron temperature; Zeeman splitting for internal magnetic field measurements[3]; and fast framing photography for global structure. Wall stabilization has been investigated computationally and experimentally by removing 70% of the surrounding conducting wall to demonstrate no change in stability behavior.[4] Experimental evidence suggests that the plasma lifetime is only limited by plasma supply and current waveform. The flow Z-pinch concept provides an approach to achieve high energy density plasmas,[5] which are large, easy to diagnose, and persist for extended durations. A new experiment, ZaP-HD, has been built to investigate this approach by separating the flow Z-pinch formation from the radial compression using a triaxial-electrode configuration. This innovation allows more detailed investigations of the sheared flow stabilizing effect, and it allows compression to much higher densities than previously achieved on ZaP by reducing the linear density and increasing the pinch current. Experimental results

  15. Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels.

    PubMed

    Kolpak, Alexie M; Grossman, Jeffrey C

    2011-08-10

    Solar thermal fuels, which reversibly store solar energy in molecular bonds, are a tantalizing prospect for clean, renewable, and transportable energy conversion/storage. However, large-scale adoption requires enhanced energy storage capacity and thermal stability. Here we present a novel solar thermal fuel, composed of azobenzene-functionalized carbon nanotubes, with the volumetric energy density of Li-ion batteries. Our work also demonstrates that the inclusion of nanoscale templates is an effective strategy for design of highly cyclable, thermally stable, and energy-dense solar thermal fuels.

  16. Impact of portion size and energy density on snack intake in preschool-aged children.

    PubMed

    Looney, Shannon M; Raynor, Hollie A

    2011-03-01

    The influence of dietary environmental factors on child weight status may be important in the battle against childhood obesity. Portion size and energy density are factors shown to impact entrée energy intake in children. However, the influence of these factors on child snack energy intake has not been studied. Thus, the aim of this study was to investigate the impact of portion size on intake of a lower energy-dense and higher energy-dense snack in preschool-aged children. A 2×2 crossover design (within-subject factors of portion size and energy density) was conducted on Wednesdays in a preschool setting on the University of Tennessee campus from October 2008 to November 2008. Seventeen children had complete data (age 3.8±0.6 years; 10 of 17 were female; 14 of 17 were white). Foods were applesauce (lower energy dense=0.43 kcal/g) and chocolate pudding (higher energy dense=1.19 kcal/g), and portion sizes were 150 g (small) and 300 g (large). Measures included anthropometrics, hunger, liking of foods, and caretakers' child-feeding practices using validated instruments. Mixed factorial analyses of covariance, with order controlled, analyzed gram and energy snack intake across conditions. There was no significant main effect of energy density on snack intake, but the main effect of portion size on snack intake (small portion size 84.2±30.8 kcal, large portion size 99.0±52.5 kcal; P<0.05) was significant. Results indicate increased energy intake when snacks are offered in larger portion size, regardless of energy density. Snack portion size may be an environmental strategy that can reduce excessive energy intake in children. Copyright © 2011 American Dietetic Association. Published by Elsevier Inc. All rights reserved.

  17. Activation energy and energy density: a bioenergetic framework for assessing soil organic matter stability

    NASA Astrophysics Data System (ADS)

    Williams, E. K.; Plante, A. F.

    2017-12-01

    The stability and cycling of natural organic matter depends on the input of energy needed to decompose it and the net energy gained from its decomposition. In soils, this relationship is complicated by microbial enzymatic activity which decreases the activation energies associated with soil organic matter (SOM) decomposition and by chemical and physical protection mechanisms which decreases the concentrations of the available organic matter substrate and also require additional energies to overcome for decomposition. In this study, we utilize differential scanning calorimetry and evolved CO2 gas analysis to characterize differences in the energetics (activation energy and energy density) in soils that have undergone degradation in natural (bare fallow), field (changes in land-use), chemical (acid hydrolysis), and laboratory (high temperature incubation) experimental conditions. We will present this data in a novel conceptual framework relating these energy dynamics to organic matter inputs, decomposition, and molecular complexity.

  18. Talbot-Lau X-ray Deflectometer electron density diagnostic for laser and pulsed power high energy density plasma experiments

    DOE PAGES

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; ...

    2016-04-21

    Talbot-Lau X-ray Deflectometry has been developed as an electron density diagnostic for High Energy Density plasmas. The technique can deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single Moiré image. An 8 keV Talbot-Lau interferometer was deployed using laser and x-pinch backlighters. Grating survival and electron density mapping was demonstrated for 25-29 J, 8-30 ps laser pulses using copper foil targets. Moire pattern formation and grating survival was also observed using a copper x-pinch driven at 400 kA, ~1 kA/ns. Lastly, these results demonstrate the potential of TXD as an electron density diagnostic for HED plasmas.

  19. Energy Density in Aligned Nanowire Arrays Irradiated with Relativistic Intensities: Path to Terabar Pressure Plasmas

    NASA Astrophysics Data System (ADS)

    Rocca, J.; Bargsten, C.; Hollinger, R.; Shylaptsev, V.; Wang, S.; Rockwood, A.; Wang, Y.; Keiss, D.; Capeluto, M.; Kaymak, V.; Pukhov, A.; Tommasini, R.; London, R.; Park, J.

    2016-10-01

    Ultra-high-energy-density (UHED) plasmas, characterized by energy densities >1 x 108 J cm-3 and pressures greater than a gigabar are encountered in the center of stars and in inertial confinement fusion capsules driven by the world's largest lasers. Similar conditions can be obtained with compact, ultra-high contrast, femtosecond lasers focused to relativistic intensities onto aligned nanowire array targets. Here we report the measurement of the key physical process in determining the energy density deposited in high aspect ratio nanowire array plasmas: the energy penetration. By monitoring the x-ray emission from buried Co tracer segments in Ni nanowire arrays irradiated at an intensity of 4 x 1019 W cm-2, we demonstrate energy penetration depths of several μm, leading to UHED plasmas of that size. Relativistic 3D particle-in-cell-simulations validated by these measurements predict that irradiation of nanostructures at increased intensity will lead to a virtually unexplored extreme UHED plasma regime characterized by energy densities in excess of 8 x 1010 J cm-3, equivalent to a pressure of 0.35 Tbar. This work was supported by the Fusion Energy Program, Office of Science of the U.S Department of Energy, and by the Defense Threat Reduction Agency.

  20. Technological development of cylindrical and flat shaped high energy density capacitors. [using polymeric films

    NASA Technical Reports Server (NTRS)

    Zelik, J. A.; Parker, R. D.

    1977-01-01

    Cylindrical wound metallized film capacitors rated 2 micron F 500 VDC that had an energy density greater than 0.3 J/g, and flat flexible metallized film capacitors rated at 2 micron F 500 VDC that had an energy density greater than 0.1 J/g were developed. Polysulfone, polycarbonate, and polyvinylidene fluoride (PVF2) were investigated as dielectrics for the cylindrical units. PVF2 in 6.0 micron m thickness was employed in the final components of both types. Capacitance and dissipation factor measurements were made over the range 25 C to 100 C, and 10 Hz to 10 kHz. No pre-life-test burning was performed, and six of ten cylindrical units survived a 2500 hour AC plus DC lift test. Three of the four failures were infant mortality. All but two of the flat components survived 400 hours. Finished energy densities were 0.104 J/g at 500 V and 0.200 J/g at 700 V, the energy density being limited by the availability of thin PVF2 films.

  1. High Density Thermal Energy Storage with Supercritical Fluids

    NASA Technical Reports Server (NTRS)

    Ganapathi, Gani B.; Wirz, Richard

    2012-01-01

    A novel approach to storing thermal energy with supercritical fluids is being investigated, which if successful, promises to transform the way thermal energy is captured and utilized. The use of supercritical fluids allows cost-affordable high-density storage with a combination of latent heat and sensible heat in the two-phase as well as the supercritical state. This technology will enhance penetration of several thermal power generation applications and high temperature water for commercial use if the overall cost of the technology can be demonstrated to be lower than the current state-of-the-art molten salt using sodium nitrate and potassium nitrate eutectic mixtures.

  2. Energy density of ionospheric and solar wind origin ions in the near-Earth magnetotail during substorms

    NASA Technical Reports Server (NTRS)

    Daglis, Loannis A.; Livi, Stefano; Sarris, Emmanuel T.; Wilken, Berend

    1994-01-01

    Comprehensive energy density studies provide an important measure of the participation of various sources in energization processes and have been relatively rare in the literature. We present a statistical study of the energy density of the near-Earth magnetotail major ions (H(+), O(+), He(++), He(+)) during substorm expansion phase and discuss its implications for the solar wind/magnetosphere/ionosphere coupling. Our aim is to examine the relation between auroral activity and the particle energization during substorms through the correlation between the AE indices and the energy density of the major magnetospheric ions. The data we used here were collected by the charge-energy-mass (CHEM) spectrometer on board the Active Magnetospheric Particle Trace Explorer (AMPTE)/Charge Composition Explorer (CCE) satellite in the near-equatorial nightside magnetosphere, at geocentric distances approximately 7 to 9 R(sub E). CHEM provided the opportunity to conduct the first statistical study of energy density in the near-Earth magnetotail with multispecies particle data extending into the higher energy range (greater than or equal to 20 keV/E). the use of 1-min AE indices in this study should be emphasized, as the use (in previous statistical studies) of the (3-hour) Kp index or of long-time averages of AE indices essentially smoothed out all the information on substorms. Most distinct feature of our study is the excellent correlation of O(+) energy density with the AE index, in contrast with the remarkably poor He(++) energy density - AE index correlation. Furthermore, we examined the relation of the ion energy density to the electrojet activity during substorm growth phase. The O(+) energy density is strongly correlated with the pre-onset AU index, that is the eastward electrojet intensity, which represents the growth phase current system. Our investigation shows that the near-Earth magnetotail is increasingly fed with energetic ionospheric ions during periods of enhanced

  3. Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks.

    PubMed

    Yao, Kun; Parkhill, John

    2016-03-08

    We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from an input electron density. The output of the network is used as a nonlocal correction to conventional local and semilocal kinetic functionals. We show that this approximation qualitatively reproduces Kohn-Sham potential energy surfaces when used with conventional exchange correlation functionals. The density which minimizes the total energy given by the functional is examined in detail. We identify several avenues to improve on this exploratory work, by reducing numerical noise and changing the structure of our functional. Finally we examine the features in the density learned by the neural network to anticipate the prospects of generalizing these models.

  4. Ultrahigh-Energy Density Lithium-Ion Cable Battery Based on the Carbon-Nanotube Woven Macrofilms.

    PubMed

    Wu, Ziping; Liu, Kaixi; Lv, Chao; Zhong, Shengwen; Wang, Qinghui; Liu, Ting; Liu, Xianbin; Yin, Yanhong; Hu, Yingyan; Wei, Di; Liu, Zhongfan

    2018-05-01

    Moore's law predicts the performance of integrated circuit doubles every two years, lasting for more than five decades. However, the improvements of the performance of energy density in batteries lag far behind that. In addition, the poor flexibility, insufficient-energy density, and complexity of incorporation into wearable electronics remain considerable challenges for current battery technology. Herein, a lithium-ion cable battery is invented, which is insensitive to deformation due to its use of carbon nanotube (CNT) woven macrofilms as the charge collectors. An ultrahigh-tap density of 10 mg cm -2 of the electrodes can be obtained, which leads to an extremely high-energy density of 215 mWh cm -3 . The value is approximately seven times than that of the highest performance reported previously. In addition, the battery displays very stable rate performance and lower internal resistance than conventional lithium-ion batteries using metal charge collectors. Moreover, it demonstrates excellent convenience for connecting electronics as a new strategy is applied, in which both electrodes can be integrated into one end by a CNT macrorope. Such an ultrahigh-energy density lithium-ion cable battery provides a feasible way to power wearable electronics with commercial viability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Note: A high-energy-density Tesla-type pulse generator with novel insulating oil

    NASA Astrophysics Data System (ADS)

    Liu, Sheng; Su, Jiancang; Fan, Xuliang

    2017-09-01

    A 10-GW high-energy-density Tesla-type pulse generator is developed with an improved insulating liquid based on a modified Tesla pulser—TPG700, of which the pulse forming line (PFL) is filled with novel insulating oil instead of transformer oil. Properties of insulating oil determining the stored energy density of the PFL are analyzed, and a criterion for appropriate oil is proposed. Midel 7131 is chosen as an application example. The results of insulating property experiment under tens-of-microsecond pulse charging demonstrate that the insulation capability of Midel 7131 is better than that of KI45X transformer oil. The application test in Tesla pulser TPG700 shows that the output power is increased to 10.5 GW with Midel 7131. The output energy density of TPG700 increases for about 60% with Midel 7131.

  6. Note: A high-energy-density Tesla-type pulse generator with novel insulating oil.

    PubMed

    Liu, Sheng; Su, Jiancang; Fan, Xuliang

    2017-09-01

    A 10-GW high-energy-density Tesla-type pulse generator is developed with an improved insulating liquid based on a modified Tesla pulser-TPG700, of which the pulse forming line (PFL) is filled with novel insulating oil instead of transformer oil. Properties of insulating oil determining the stored energy density of the PFL are analyzed, and a criterion for appropriate oil is proposed. Midel 7131 is chosen as an application example. The results of insulating property experiment under tens-of-microsecond pulse charging demonstrate that the insulation capability of Midel 7131 is better than that of KI45X transformer oil. The application test in Tesla pulser TPG700 shows that the output power is increased to 10.5 GW with Midel 7131. The output energy density of TPG700 increases for about 60% with Midel 7131.

  7. Density-functional theory based on the electron distribution on the energy coordinate

    NASA Astrophysics Data System (ADS)

    Takahashi, Hideaki

    2018-03-01

    We developed an electronic density functional theory utilizing a novel electron distribution n(ɛ) as a basic variable to compute ground state energy of a system. n(ɛ) is obtained by projecting the electron density n({\\boldsymbol{r}}) defined on the space coordinate {\\boldsymbol{r}} onto the energy coordinate ɛ specified with the external potential {\\upsilon }ext}({\\boldsymbol{r}}) of interest. It was demonstrated that the Kohn-Sham equation can also be formulated with the exchange-correlation functional E xc[n(ɛ)] that employs the density n(ɛ) as an argument. It turned out an exchange functional proposed in our preliminary development suffices to describe properly the potential energies of several types of chemical bonds with comparable accuracies to the corresponding functional based on local density approximation. As a remarkable feature of the distribution n(ɛ) it inherently involves the spatially non-local information of the exchange hole at the bond dissociation limit in contrast to conventional approximate functionals. By taking advantage of this property we also developed a prototype of the static correlation functional E sc including no empirical parameters, which showed marked improvements in describing the dissociations of covalent bonds in {{{H}}}2,{{{C}}}2{{{H}}}4 and {CH}}4 molecules.

  8. Modern foraging: Presence of food and energy density influence motivational processing of food advertisements.

    PubMed

    Bailey, Rachel L

    2016-12-01

    More energy dense foods are preferable from an optimal foraging perspective, which suggests these foods are more motivationally relevant due to their greater capability of fulfilling biological imperatives. This increase in motivational relevance may be exacerbated in circumstances where foraging will be necessary. This study examined how food energy density and presence of food in the immediate environment interacted to influence motivational processing of food advertisements. N = 58 adults viewed advertisements for foods varying in energy density in contexts where the advertised food was actually present in the viewing room or not. Advertisements for more energy dense foods elicited greater skin conductivity level compared to ads for less energy dense foods when food was not present. All ads elicited decreases in corrugator supercilii activation indicating positive emotional response resultant from appetitive motivational activation, though the greatest activation was exhibited toward higher energy density foods when food was present. This supports an optimal foraging perspective and has implications for healthy eating interventions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. High-Energy Emissions Induced by Air Density Fluctuations of Discharges

    NASA Astrophysics Data System (ADS)

    Köhn, C.; Chanrion, O.; Neubert, T.

    2018-05-01

    Bursts of X-rays and γ-rays are observed from lightning and laboratory sparks. They are bremsstrahlung from energetic electrons interacting with neutral air molecules, but it is still unclear how the electrons achieve the required energies. It has been proposed that the enhanced electric field of streamers, found in the corona of leader tips, may account for the acceleration; however, their efficiency is questioned because of the relatively low production rate found in simulations. Here we emphasize that streamers usually are simulated with the assumption of homogeneous gas, which may not be the case on the small temporal and spatial scales of discharges. Since the streamer properties strongly depend on the reduced electric field E/n, where n is the neutral number density, fluctuations may potentially have a significant effect. To explore what might be expected if the assumption of homogeneity is relaxed, we conducted simple numerical experiments based on simulations of streamers in a neutral gas with a radial gradient in the neutral density, assumed to be created, for instance, by a previous spark. We also studied the effects of background electron density from previous discharges. We find that X-radiation and γ-radiation are enhanced when the on-axis air density is reduced by more than ˜25%. Pre-ionization tends to reduce the streamer field and thereby the production rate of high-energy electrons; however, the reduction is modest. The simulations suggest that fluctuations in the neutral densities, on the temporal and spacial scales of streamers, may be important for electron acceleration and bremsstrahlung radiation.

  10. Ultrathin Coaxial Fiber Supercapacitors Achieving High Energy and Power Densities.

    PubMed

    Shen, Caiwei; Xie, Yingxi; Sanghadasa, Mohan; Tang, Yong; Lu, Longsheng; Lin, Liwei

    2017-11-15

    Fiber-based supercapacitors have attracted significant interests because of their potential applications in wearable electronics. Although much progress has been made in recent years, the energy and power densities, mechanical strength, and flexibility of such devices are still in need of improvement for practical applications. Here, we demonstrate an ultrathin microcoaxial fiber supercapacitor (μCFSC) with high energy and power densities (2.7 mW h/cm 3 and 13 W/cm 3 ), as well as excellent mechanical properties. The prototype with the smallest reported overall diameter (∼13 μm) is fabricated by successive coating of functional layers onto a single micro-carbon-fiber via a scalable process. Combining the simulation results via the electrochemical model, we attribute the high performance to the well-controlled thin coatings that make full use of the electrode materials and minimize the ion transport path between electrodes. Moreover, the μCFSC features high bending flexibility and large tensile strength (more than 1 GPa), which make it promising as a building block for various flexible energy storage applications.

  11. Effects of dietary energy density on serum adipocytokine levels in diabetic women.

    PubMed

    Tabesh, M; Hosseinzadeh, M J; Tabesh, M; Esmaillzadeh, A

    2013-10-01

    This study was aimed to assess the effect of dietary energy density (kcal/g) on serum levels of adipocytokines of type 2 diabetic women. In this randomized parallel design clinical trial, a total of 60 diabetic women (aged 30-60 years; BMI>25 kg/m²) were assigned to consume either a low-energy dense (LED) (65% of energy from carbohydrates and 25% from fats), normal-energy dense (NED) (60% from carbohydrates, 30% from fats), or high-energy dense (HED) diet (55% from carbohydrates and 35% from fats) for 8 weeks. The low-energy dense diet was rich in fruits, vegetables, whole grains, and water, while the high-energy dense diet was rich in fats and oils and limited in fruits and vegetables as compared with the normal-dense diet. At baseline and at the end of intervention fasting blood samples were taken to assess metabolic profile. Women in the LED group consumed significantly more dietary fiber (p<0.001), fruits (p<0.001) and vegetables (p<0.001) than those in the NED and HED groups. We failed to find a significant effect of dietary energy density (kcal/g) on serum adiponectin and visfatin levels. Even the within-group changes in serum adiponectin and visfatin levels were not significant. Consumption of LED and NED diets resulted in a significant increase in serum chemerin levels (p=0.04). Comparison of mean changes of serum chemerin levels across 3 groups revealed a significant difference (p=0.04). Our study provides evidence indicating that consumption of HED diet for 8 weeks among diabetic patients prevented the increase in serum chemerin levels compared with LED and NED diets. Furthermore, we found no significant effect of dietary energy density (kcal/g) on serum adiponectin and visfatin concentrations in the current study. © Georg Thieme Verlag KG Stuttgart · New York.

  12. 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

  13. 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.

  14. 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.

  15. High energy density rechargeable magnesium battery using earth-abundant and non-toxic elements

    PubMed Central

    Orikasa, Yuki; Masese, Titus; Koyama, Yukinori; Mori, Takuya; Hattori, Masashi; Yamamoto, Kentaro; Okado, Tetsuya; Huang, Zhen-Dong; Minato, Taketoshi; Tassel, Cédric; Kim, Jungeun; Kobayashi, Yoji; Abe, Takeshi; Kageyama, Hiroshi; Uchimoto, Yoshiharu

    2014-01-01

    Rechargeable magnesium batteries are poised to be viable candidates for large-scale energy storage devices in smart grid communities and electric vehicles. However, the energy density of previously proposed rechargeable magnesium batteries is low, limited mainly by the cathode materials. Here, we present new design approaches for the cathode in order to realize a high-energy-density rechargeable magnesium battery system. Ion-exchanged MgFeSiO4 demonstrates a high reversible capacity exceeding 300 mAh·g−1 at a voltage of approximately 2.4 V vs. Mg. Further, the electronic and crystal structure of ion-exchanged MgFeSiO4 changes during the charging and discharging processes, which demonstrates the (de)insertion of magnesium in the host structure. The combination of ion-exchanged MgFeSiO4 with a magnesium bis(trifluoromethylsulfonyl)imide–triglyme electrolyte system proposed in this work provides a low-cost and practical rechargeable magnesium battery with high energy density, free from corrosion and safety problems. PMID:25011939

  16. High energy density in PVDF nanocomposites using an optimized nanowire array.

    PubMed

    Guo, Ru; Luo, Hang; Liu, Weiwei; Zhou, Xuefan; Tang, Lin; Zhou, Kechao; Zhang, Dou

    2018-06-22

    TiO2 nanowire arrays are often utilized to prepare high performance polymer nanocomposites, however, the contribution to the energy density is limited due to their non-ferroelectric characteristics. A nanocomposite with an optimized nanowire array combining the ferroelectric properties of lead zirconate titanate (PZT) with TiO2, readily forming nanowires (denoted as a TiO2-P nanowire array), is prepared to enhance the permittivity. Poly(vinylidene fluoride) (PVDF) is used as the polymer matrix due to its high breakdown strength, e.g. 600-700 kV mm-1. As a result, the permittivity and breakdown electric field reach 53 at 1 kHz and 550 kV mm-1, respectively. Therefore, the nanocomposites achieve a higher discharge energy density of 12.4 J cm-3 with excellent cycle stability, which is the highest among nanocomposites based on a nanowire array as a filler in a PVDF matrix. This work provides not only a feasible approach to obtain high performance dielectric nanocomposites, but also a wide range of potential applications in the energy storage and energy harvesting fields.

  17. Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

    DOE PAGES

    Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

    2018-02-14

    The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

  18. Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

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

    Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

    The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

  19. Assessment of satiety depends on the energy density and portion size of the test meal

    PubMed Central

    Williams, Rachel A.; Roe, Liane S.; Rolls, Barbara J.

    2013-01-01

    Objective Foods that enhance satiety can reduce overconsumption, but the availability of large portions of energy-dense foods may counter their benefits. We tested the influence on meal energy intake of varying the energy density and portion size of food consumed after a preload shown to promote satiety. Design and Methods In a crossover design, 46 women were served lunch on six days. On four days they ate a compulsory salad (300 g, 0.33 kcal/g). Unlike previous studies, instead of varying the preload, the subsequent test meal of pasta was varied between standard and increased levels of both energy density (1.25 or 1.66 kcal/g) and portion size (450 or 600 g). On two control days a salad was not served. Results Following the salad, the energy density and portion size of the test meal independently affected meal energy intake (both p<0.02). Serving the higher-energy-dense pasta increased test meal intake by 153±19 kcal and serving the larger portion of pasta increased test meal intake by 40±16 kcal. Compared to having no salad, consuming the salad decreased test meal intake by 123±18 kcal. Conclusions The effect of satiety-enhancing foods can be influenced by the energy density and portion size of other foods at the meal. PMID:23929544

  20. A novel high energy density rechargeable lithium/air battery.

    PubMed

    Zhang, Tao; Imanishi, Nobuyuki; Shimonishi, Yuta; Hirano, Atsushi; Takeda, Yasuo; Yamamoto, Osamu; Sammes, Nigel

    2010-03-14

    A novel rechargeable lithium/air battery was fabricated, which consisted of a water-stable multilayer Li-metal anode, acetic acid-water electrolyte, and a fuel-cell analogous air-diffusion cathode and possessed a high energy density of 779 W h kg(-1), twice that of the conventional graphite/LiCoO(2) cell.

  1. Short-term overeating results in incomplete energy intake compensation regardless of energy density or macronutrient composition.

    PubMed

    Apolzan, John W; Bray, George A; Hamilton, Marc T; Zderic, Theodore W; Han, Hongmei; Champagne, Catherine M; Shepard, Desti; Martin, Corby K

    2014-01-01

    To evaluate the effects of overeating (140% of energy requirements) a high-fat low-energy density diet (HF/LED, 1.05 kcal/g), high-fat high-energy density diet (HF/HED, 1.60 kcal/g), and high-carbohydrate (HC) LED (1.05 kcal/g) for 2-days on subsequent 4-day energy intake (EI), activity levels, appetite, and mood. Using a randomized cross-over design, energy expenditure and EI were standardized during overeating. In 20 adults with a mean ± SD BMI of 30.7 ± 4.6 kg/m(2) , EI was not suppressed until the second day after overeating and accounted for ∼30% of the excess EI. Reductions in EI did not differ among the three diets or across days. Overeating had no effect on subsequent energy expenditure but steps/day decreased after the HC/LED and HF/HED. Sleep time was increased after the HF/HED compared to both LEDs. After overeating a HF/HED vs. HF/LED, carbohydrate cravings, hunger, prospective food consumption, and sadness increased and satisfaction, relaxation, and tranquility decreased. Diet type, time, or their interaction had no impact on compensation over 4 days. No adaptive thermogenesis was observed. The HF/HED vs. HF/LED had detrimental effects on food cravings, appetite, and mood. These results suggest short-term overeating is associated with incomplete compensation. Copyright © 2013 The Obesity Society.

  2. Short-term overeating results in incomplete energy intake compensation regardless of energy density or macronutrient composition

    PubMed Central

    Apolzan, John W.; Bray, George A.; Hamilton, Marc T.; Zderic, Theodore W.; Han, Hongmei; Champagne, Catherine M.; Shepard, Desti; Martin, Corby K.

    2013-01-01

    Objective To evaluate the effects of overeating (140% of energy requirements) a high-fat low-energy density diet (HF/LED, 1.05kcal/g), high-fat high-energy density diet (HF/HED, 1.60kcal/g), and high-carbohydrate (HC) LED (1.05kcal/g) for 2-days on subsequent 4-day energy intake (EI), activity levels, appetite, and mood. Design and Methods Using a randomized cross-over design, energy expenditure and EI were standardized during overeating. Results In 20 adults with a mean±SD BMI of 30.7±4.6kg/m2, EI was not suppressed until the second day after overeating and accounted for ~30% of the excess EI. Reductions in EI did not differ among the 3 diets or across days. Overeating had no effect on subsequent energy expenditure but steps/day decreased after the HC/LED and HF/HED. Sleep time was increased after the HF/HED compared to both LEDs. After overeating a HF/HED vs. HF/LED, carbohydrate cravings, hunger, prospective food consumption, and sadness increased and satisfaction, relaxation, and tranquility decreased. Conclusions Diet type, time, or their interaction had no impact on compensation over 4 days. No adaptive thermogenesis was observed. The HF/HED vs. HF/LED had detrimental effects on food cravings, appetite, and mood. These results suggest short-term overeating is associated with incomplete compensation. PMID:23913807

  3. Structured block copolymer thin film composites for ultra-high energy density capacitors

    NASA Astrophysics Data System (ADS)

    Samant, Saumil; Hailu, Shimelis; Grabowski, Christopher; Durstock, Michael; Raghavan, Dharmaraj; Karim, Alamgir

    2014-03-01

    Development of high energy density capacitors is essential for future applications like hybrid vehicles and directed energy weaponry. Fundamentally, energy density is governed by product of dielectric permittivity ɛ and breakdown strength Vbd. Hence, improvements in energy density are greatly reliant on improving either ɛ or Vbd or a combination of both. Polymer films are widely used in capacitors due to high Vbd and low loss but they suffer from very low permittivities. Composite dielectrics offer a unique opportunity to combine the high ɛ of inorganic fillers with the high Vbd of a polymer matrix. For enhancement of dielectric properties, it is essential to improve matrix-filler interaction and control the spatial distribution of fillers for which nanostructured block copolymers BCP act as ideal templates. We use Directed Self-assembly of block copolymers to rapidly fabricate highly aligned BCP-TiO2 composite nanostructures in thin films under dynamic thermal gradient field to synergistically combine the high ɛ of functionalized TiO2 and high Vbd of BCP matrix. The results of impact of BCP morphology, processing conditions and concentration of TiO2 on capacitor performance will be reported. U.S. Air Force of Scientific Research under contract FA9550-12-1-0306

  4. New Cathode Material for High Energy-Density Batteries

    DTIC Science & Technology

    1974-07-31

    Lithium Anodes LINK A ROLK LINK B LINK C INSTRUCTIONS I. ORIGINATING ACTIVITY: Enter the name and oddM-ss of the contractor...theoretical energy density of 399 whr/lb when paired with a lithium anode. Results of related, but less extensive, work on zinc fluoride and...a) The semiconductor was cathodically passi- vated in the presence of lithium ions, which would normally exist in lithium battery electrolytes

  5. 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.

  6. Energy Density, Energy Intake, and Body Weight Regulation in Adults12345

    PubMed Central

    Karl, J. Philip; Roberts, Susan B.

    2014-01-01

    The role of dietary energy density (ED) in the regulation of energy intake (EI) is controversial. Methodologically, there is also debate about whether beverages should be included in dietary ED calculations. To address these issues, studies examining the effects of ED on EI or body weight in nonelderly adults were reviewed. Different approaches to calculating dietary ED do not appear to alter the direction of reported relations between ED and body weight. Evidence that lowering dietary ED reduces EI in short-term studies is convincing, but there are currently insufficient data to determine long-term effectiveness for weight loss. The review also identified key barriers to progress in understanding the role of ED in energy regulation, in particular the absence of a standard definition of ED, and the lack of data from multiple long-term clinical trials examining the effectiveness of low-ED diet recommendations for preventing both primary weight gain and weight regain in nonobese individuals. Long-term clinical trials designed to examine the impact of dietary ED on energy regulation, and including multiple ED calculation methods within the same study, are still needed to determine the importance of ED in the regulation of EI and body weight. PMID:25398750

  7. An explanation for the tiny value of the cosmological constant and the low vacuum energy density

    NASA Astrophysics Data System (ADS)

    Nassif, Cláudio

    2015-09-01

    The paper aims to provide an explanation for the tiny value of the cosmological constant and the low vacuum energy density to represent the dark energy. To accomplish this, we will search for a fundamental principle of symmetry in space-time by means of the elimination of the classical idea of rest, by including an invariant minimum limit of speed in the subatomic world. Such a minimum speed, unattainable by particles, represents a preferred reference frame associated with a background field that breaks down the Lorentz symmetry. The metric of the flat space-time shall include the presence of a uniform vacuum energy density, which leads to a negative pressure at cosmological length scales. Thus, the equation of state for the cosmological constant [ p(pressure) (energy density)] naturally emerges from such a space-time with an energy barrier of a minimum speed. The tiny values of the cosmological constant and the vacuum energy density will be successfully obtained, being in agreement with the observational results of Perlmutter, Schmidt and Riess.

  8. Talbot-Lau x-ray deflectometer electron density diagnostic for laser and pulsed power high energy density plasma experiments (invited)

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

    Valdivia, M. P., E-mail: mpvaldivia@pha.jhu.edu; Stutman, D.; Stoeckl, C.

    2016-11-15

    Talbot-Lau X-ray deflectometry (TXD) has been developed as an electron density diagnostic for High Energy Density (HED) plasmas. The technique can deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single Moiré image. An 8 keV Talbot-Lau interferometer was deployed using laser and x-pinch backlighters. Grating survival and electron density mapping were demonstrated for 25–29 J, 8–30 ps laser pulses using copper foil targets. Moiré pattern formation and grating survival were also observed using a copper x-pinch driven at 400 kA, ∼1 kA/ns. These results demonstrate the potential of TXD as an electron density diagnostic for HED plasmas.

  9. Talbot-Lau x-ray deflectometer electron density diagnostic for laser and pulsed power high energy density plasma experiments (invited).

    PubMed

    Valdivia, M P; Stutman, D; Stoeckl, C; Mileham, C; Begishev, I A; Theobald, W; Bromage, J; Regan, S P; Klein, S R; Muñoz-Cordovez, G; Vescovi, M; Valenzuela-Villaseca, V; Veloso, F

    2016-11-01

    Talbot-Lau X-ray deflectometry (TXD) has been developed as an electron density diagnostic for High Energy Density (HED) plasmas. The technique can deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single Moiré image. An 8 keV Talbot-Lau interferometer was deployed using laser and x-pinch backlighters. Grating survival and electron density mapping were demonstrated for 25-29 J, 8-30 ps laser pulses using copper foil targets. Moiré pattern formation and grating survival were also observed using a copper x-pinch driven at 400 kA, ∼1 kA/ns. These results demonstrate the potential of TXD as an electron density diagnostic for HED plasmas.

  10. Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions.

    PubMed

    Karasiev, Valentin V; Dufty, James W; Trickey, S B

    2018-02-16

    Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (XC) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T. Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.

  11. Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

    NASA Astrophysics Data System (ADS)

    Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

    2018-02-01

    Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (X C ) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation X C free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T , high-T , and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T . Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.

  12. Estimating the neutrally buoyant energy density of a Rankine-cycle/fuel-cell underwater propulsion system

    NASA Astrophysics Data System (ADS)

    Waters, Daniel F.; Cadou, Christopher P.

    2014-02-01

    A unique requirement of underwater vehicles' power/energy systems is that they remain neutrally buoyant over the course of a mission. Previous work published in the Journal of Power Sources reported gross as opposed to neutrally-buoyant energy densities of an integrated solid oxide fuel cell/Rankine-cycle based power system based on the exothermic reaction of aluminum with seawater. This paper corrects this shortcoming by presenting a model for estimating system mass and using it to update the key findings of the original paper in the context of the neutral buoyancy requirement. It also presents an expanded sensitivity analysis to illustrate the influence of various design and modeling assumptions. While energy density is very sensitive to turbine efficiency (sensitivity coefficient in excess of 0.60), it is relatively insensitive to all other major design parameters (sensitivity coefficients < 0.15) like compressor efficiency, inlet water temperature, scaling methodology, etc. The neutral buoyancy requirement introduces a significant (∼15%) energy density penalty but overall the system still appears to offer factors of five to eight improvements in energy density (i.e., vehicle range/endurance) over present battery-based technologies.

  13. Fermi energy control of vacancy coalescence and dislocation density in melt-grown GaAs

    NASA Technical Reports Server (NTRS)

    Lagowski, J.; Gatos, H. C.; Lin, D. G.; Aoyama, T.

    1984-01-01

    A striking effect of the Fermi energy on the dislocation density in melt-grown GaAs has been discovered. Thus, a shift of the Fermi energy from 0.1 eV above to 0.2 eV below its intrinsic value (at high temperature, i.e., near 1100 K) increases the dislocation density by as much as five orders of magnitude. The Fermi energy shift was brought about by n-type and p-type doping at a level of about 10 to the 17th per cu cm (under conditions of optimum partial pressure of As, i.e., under optimum melt stoichiometry). This effect must be associated with the fact that the Fermi energy controls the charge state of vacancies (i.e., the occupancy of the associated electronic states) which in turn must control their tendency to coalesce and thus the dislocation density. It appears most likely that gallium vacancies are the critical species.

  14. High-Energy Density science at the Linac Coherent Light Source

    NASA Astrophysics Data System (ADS)

    Glenzer, S. H.; Fletcher, L. B.; Hastings, J. B.

    2016-03-01

    The Matter in Extreme Conditions end station at the Linac Coherent Light Source holds great promise for novel pump-probe experiments to make new discoveries in high- energy density science. In recent experiments we have demonstrated the first spectrally- resolved measurements of plasmons using a seeded 8-keV x-ray laser beam. Forward x-ray Thomson scattering spectra from isochorically heated solid aluminum show a well-resolved plasmon feature that is down-shifted in energy by 19 eV from the incident 8 keV elastic scattering feature. In this spectral range, the simultaneously measured backscatter spectrum shows no spectral features indicating observation of collective plasmon oscillations on a scattering length comparable to the screening length. This technique is a prerequisite for Thomson scattering measurements in compressed matter where the plasmon shift is a sensitive function of the free electron density and where the plasmon intensity provides information on temperature.

  15. Oxides having high energy densities

    DOEpatents

    Ceder, Gerbrand; Kang, Kisuk

    2013-09-10

    Certain disclosed embodiments generally relate to oxide materials having relatively high energy and/or power densities. Various aspects of the embodiments are directed to oxide materials having a structure B.sub.i(M.sub.jY.sub.k)O.sub.2, for example, a structure Li.sub.j(Ni.sub.jY.sub.k)O.sub.2 such as Li(Ni.sub.0.5Mn.sub.0.5)O.sub.2. In this structure, Y represents one or more atoms, each independently selected from the group consisting of alkaline earth metals, transition metals, Group 14 elements, Group 15, or Group 16 elements. In some embodiments, such an oxide material may have an O3 crystal structure, and/or a layered structure such that the oxide comprises a plurality of first, repeating atomic planes comprising Li, and a plurality of second, repeating atomic planes comprising Ni and/or Y.

  16. Density and energy relaxation in an open one-dimensional system

    NASA Astrophysics Data System (ADS)

    Jose, Prasanth P.; Bagchi, Biman

    2004-05-01

    A new master equation to mimic the dynamics of a collection of interacting random walkers in an open system is proposed and solved numerically. In this model, the random walkers interact through excluded volume interaction (single-file system); and the total number of walkers in the lattice can fluctuate because of exchange with a bath. In addition, the movement of the random walkers is biased by an external perturbation. Two models for the latter are considered: (1) an inverse potential (V∝1/r), where r is the distance between the center of the perturbation and the random walker and (2) an inverse of sixth power potential (V∝1/r6). The calculated density of the walkers and the total energy show interesting dynamics. When the size of the system is comparable to the range of the perturbing field, the energy relaxation is found to be highly nonexponential. In this range, the system can show stretched exponential (e-(t/τs)β) and even logarithmic time dependence of energy relaxation over a limited range of time. Introduction of density exchange in the lattice markedly weakens this nonexponentiality of the relaxation function, irrespective of the nature of perturbation.

  17. A High Power Density Single-Phase PWM Rectifier With Active Ripple Energy Storage

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

    Wang, Ruxi; Wang, Fei; Boroyevich, Dushan

    It is well known that single-phase pulse width modulation rectifiers have second-order harmonic currents and corresponding ripple voltages on the dc bus. The low-frequency harmonic current is normally filtered using a bulk capacitor in the bus, which results in low power density. However, pursuing high power density in converter design is a very important goal in the aerospace applications. This paper studies methods for reducing the energy storage capacitor for single-phase rectifiers. The minimum ripple energy storage requirement is derived independently of a specific topology. Based on theminimum ripple energy requirement, the feasibility of the active capacitor s reduction schemesmore » is verified. Then, we propose a bidirectional buck boost converter as the ripple energy storage circuit, which can effectively reduce the energy storage capacitance. The analysis and design are validated by simulation and experimental results.« less

  18. Assigning crystallographic electron densities with free energy calculations—The case of the fluoride channel Fluc

    PubMed Central

    2018-01-01

    Approximately 90% of the structures in the Protein Data Bank (PDB) were obtained by X-ray crystallography or electron microscopy. Whereas the overall quality of structure is considered high, thanks to a wide range of tools for structure validation, uncertainties may arise from density maps of small molecules, such as organic ligands, ions or water, which are non-covalently bound to the biomolecules. Even with some experience and chemical intuition, the assignment of such disconnected electron densities is often far from obvious. In this study, we suggest the use of molecular dynamics (MD) simulations and free energy calculations, which are well-established computational methods, to aid in the assignment of ambiguous disconnected electron densities. Specifically, estimates of (i) relative binding affinities, for instance between an ion and water, (ii) absolute binding free energies, i.e., free energies for transferring a solute from bulk solvent to a binding site, and (iii) stability assessments during equilibrium simulations may reveal the most plausible assignments. We illustrate this strategy using the crystal structure of the fluoride specific channel (Fluc), which contains five disconnected electron densities previously interpreted as four fluoride and one sodium ion. The simulations support the assignment of the sodium ion. In contrast, calculations of relative and absolute binding free energies as well as stability assessments during free MD simulations suggest that four of the densities represent water molecules instead of fluoride. The assignment of water is compatible with the loss of these densities in the non-conductive F82I/F85I mutant of Fluc. We critically discuss the role of the ion force fields for the calculations presented here. Overall, these findings indicate that MD simulations and free energy calculations are helpful tools for modeling water and ions into crystallographic density maps. PMID:29771936

  19. Understanding limiting factors in thick electrode performance as applied to high energy density Li-ion batteries

    DOE PAGES

    Du, Zhijia; Wood, David L.; Daniel, Claus; ...

    2017-02-09

    We present that increasing electrode thickness, thus increasing the volume ratio of active materials, is one effective method to enable the development of high energy density Li-ion batteries. In this study, an energy density versus power density optimization of LiNi 0.8Co 0.15Al 0.05O 2 (NCA)/graphite cell stack was conducted via mathematical modeling. The energy density was found to have a maximum point versus electrode thickness (critical thickness) at given discharging C rates. The physics-based factors that limit the energy/power density of thick electrodes were found to be increased cell polarization and underutilization of active materials. The latter is affected bymore » Li-ion diffusion in active materials and Li-ion depletion in the electrolyte phase. Based on those findings, possible approaches were derived to surmount the limiting factors. Finally, the improvement of the energy–power relationship in an 18,650 cell was used to demonstrate how to optimize the thick electrode parameters in cell engineering.« less

  20. Effects of energy content and energy density of pre-portioned entrées on energy intake.

    PubMed

    Blatt, Alexandria D; Williams, Rachel A; Roe, Liane S; Rolls, Barbara J

    2012-10-01

    Pre-portioned entrées are commonly consumed to help control portion size and limit energy intake. The influence of entrée characteristics on energy intake, however, has not been well studied. We determined how the effects of energy content and energy density (ED, kcal/g) of pre-portioned entrées combine to influence daily energy intake. In a crossover design, 68 non-dieting adults (28 men and 40 women) were provided with breakfast, lunch, and dinner on 1 day a week for 4 weeks. Each meal included a compulsory, manipulated pre-portioned entrée followed by a variety of unmanipulated discretionary foods that were consumed ad libitum. Across conditions, the entrées were varied in both energy content and ED between a standard level (100%) and a reduced level (64%). Results showed that in men, decreases in the energy content and ED of pre-portioned entrées acted independently and added together to reduce daily energy intake (both P < 0.01). Simultaneously decreasing the energy content and ED reduced total energy intake in men by 16% (445 ± 47 kcal/day; P < 0.0001). In women, the entrée factors also had independent effects on energy intake at breakfast and lunch, but at dinner and for the entire day the effects depended on the interaction of the two factors (P < 0.01). Simultaneously decreasing the energy content and ED reduced daily energy intake in women by 14% (289 ± 35 kcal/day; P < 0.0001). Both the energy content and ED of pre-portioned entrées affect daily energy intake and could influence the effectiveness of such foods for weight management.

  1. Effect of light energy density on conversion degree and hardness of dual-cured resin cement.

    PubMed

    Komori, Paula Carolina de Paiva; de Paula, Andréia Bolzan; Martin, Airton Abrāo; Tango, Rubens Nisie; Sinhoreti, Mario Alexandre Coelho; Correr-Sobrinho, Lourenço

    2010-01-01

    This study evaluated the effect of different light energy densities on conversion degree (CD) and Knoop hardness number (KHN) of RelyX ARC (RLX) resin cement. After manipulation according to the manufacturer's instructions, RLX was inserted into a rubber mold (0.8 mm x 5 mm) and covered with a Mylar strip. The tip of the light-curing unit (LCU) was positioned in contact with the Mylar surface. Quartz-tungsten-halogen (QTH) and light-emitting diode (LED) LCUs with light densities of 10, 20 and 30 J/cm2 were used to light-cure the specimens. After light curing, the specimens were stored dry in lightproof containers at 37 degrees C. After 24 hours, the CD was analyzed by FT-Raman and, after an additional 24-hours, samples were submitted to Knoop hardness testing. The data of the CD (%) and KHN were submitted to two-way ANOVA and the Tukey's test (alpha = 0.05). QTH and LED were effective light curing units. For QTH, there were no differences among the light energy densities for CD or KHN. For LED, there was a significant reduction in CD with the light energy density set at 10 J/cm2. KHN was not influenced by the light-curing unit and by its light energy density.

  2. Energy density and energy flux in the focus of an optical vortex: reverse flux of light energy.

    PubMed

    Kotlyar, Victor V; Kovalev, Alexey A; Nalimov, Anton G

    2018-06-15

    Using the Richards-Wolf formulas for an arbitrary circularly polarized optical vortex with an integer topological charge m, we obtain explicit expressions for all components of the electric and magnetic field strength vectors near the focus, as well as expressions for the intensity (energy density) and for the energy flux (components of the Poynting vector) in the focal plane of an aplanatic optical system. For m=2, from the obtained expressions it follows that the energy flux near the optical axis propagates in the reversed direction, rotating along a spiral around the optical axis. On the optical axis itself, the reversed flux is maximal and decays rapidly with the distance from the axis. For m=3, in contrast, the reversed energy flux in the focal plane is minimal (zero) on the optical axis and increases (until the first ring of the light intensity) as a squared distance from the axis.

  3. Measurements relating fire radiative energy density and surface fuel consumption - RxCADRE 2011 and 2012

    Treesearch

    Andrew T. Hudak; Matthew B. Dickinson; Benjamin C. Bright; Robert L. Kremens; E. Louise Loudermilk; Joseph J. O' Brien; Benjamin S. Hornsby; Roger D. Ottmar

    2016-01-01

    Small-scale experiments have demonstrated that fire radiative energy is linearly related to fuel combusted but such a relationship has not been shown at the landscape level of prescribed fires. This paper presents field and remotely sensed measures of pre-fire fuel loads, consumption, fire radiative energy density (FRED) and fire radiative power flux density (FRFD),...

  4. Moiré deflectometry using the Talbot-Lau interferometer as refraction diagnostic for high energy density plasmas at energies below 10 keV.

    PubMed

    Valdivia, M P; Stutman, D; Finkenthal, M

    2014-07-01

    The highly localized density gradients expected in High Energy Density (HED) plasma experiments can be characterized by x-ray phase-contrast imaging in addition to conventional attenuation radiography. Moiré deflectometry using the Talbot-Lau grating interferometer setup is an attractive HED diagnostic due to its high sensitivity to refraction induced phase shifts. We report on the adaptation of such a system for operation in the sub-10 keV range by using a combination of free standing and ultrathin Talbot gratings. This new x-ray energy explored matches well the current x-ray backlighters used for HED experiments, while also enhancing phase effects at lower electron densities. We studied the performance of the high magnification, low energy Talbot-Lau interferometer, for single image phase retrieval using Moiré fringe deflectometry. Our laboratory and simulation studies indicate that such a device is able to retrieve object electron densities from phase shift measurements. Using laboratory x-ray sources from 7 to 15 μm size we obtained accurate simultaneous measurements of refraction and attenuation for both sharp and mild electron density gradients.

  5. VizieR Online Data Catalog: 12um ISOCAM survey of the ESO-Sculptor field (Seymour+, 2007)

    NASA Astrophysics Data System (ADS)

    Seymour, N.; Rocca-Volmerange, B.; de Lapparent, V.

    2007-11-01

    We present a detailed reduction of a mid-infrared 12um (LW10 filter) ISOCAM open time observation performed on the ESO-Sculptor Survey field (Arnouts et al., 1997A&AS..124..163A). A complete catalogue of 142 sources (120 galaxies and 22 stars), detected with high significance (equivalent to 5{sigma}), is presented above an integrated flux density of 0.31mJy. Star/galaxy separation is performed by a detailed study of colour-colour diagrams. The catalogue is complete to 1mJy and, below this flux density, the incompleteness is corrected using two independent methods. The first method uses stars and the second uses optical counterparts of the ISOCAM galaxies; these methods yield consistent results. We also apply an empirical flux density calibration using stars in the field. For each star, the 12um flux density is derived by fitting optical colours from a multi-band {chi}2 to stellar templates (BaSel-2.0) and using empirical optical-IR colour-colour relations. This article is a companion analysis to our 2007 paper (Rocca-Volmerange et al. 2007A&A...475..801R) where the 12um faint galaxy counts are presented and analysed per galaxy type with the evolutionary code PEGASE.3. (1 data file).

  6. Charge Energy Transport in Hopping Systems with Rapidly Decreasing Density of States

    NASA Astrophysics Data System (ADS)

    Mendels, Dan; Organic Electronics Group Technion Team

    2014-03-01

    An accurate description of the carrier hopping topology in the energy domain of hopping systems incorporating a rapidly decreasing density of states and the subsequent energetic position of these systems' so called effective conduction band is crucial for rationalizing and quantifying these systems' thermo-electric properties, doping related phenomena and carrier gradient effects such as the emergence of the General Einstein Relation under degenerate conditions. Additionally, as will be shown, the 'mobile' carriers propagating through the system can have excess energies reaching 0.3eV above the system quasi-Fermi energy. Hence, since these mobile carriers are most prone to reach systems interfaces and interact with oppositely charged carriers, their excess energy should be considered in determining the efficiencies of energy dependent processes such as carrier recombination and exciton dissociation. In light of the stated motivations, a comprehensive numerical and analytical study of the topology of hopping in the energetic density of such systems (i.e. the statistics regarding which energy values carriers visit most and in what manner) was implemented and the main statistical features of the hopping process that determine the position in energy of the system's effective conduction band were distilled. The obtained results also help shed light on yet to be elucidated discrepancies between predictions given by the widely employed transport energy concept and Monte Carlo simulations.

  7. High-Energy Density science at the Linac Coherent Light Source

    DOE PAGES

    Glenzer, S. H.; Fletcher, L. B.; Hastings, J. B.

    2016-04-01

    The Matter in Extreme Conditions end station at the Linac Coherent Light Source holds great promise for novel pump-probe experiments to make new discoveries in high- energy density science. Recently, our experiments have demonstrated the first spectrally- resolved measurements of plasmons using a seeded 8-keV x-ray laser beam. Forward x-ray Thomson scattering spectra from isochorically heated solid aluminum show a well-resolved plasmon feature that is down-shifted in energy by 19 eV from the incident 8 keV elastic scattering feature. In this spectral range, the simultaneously measured backscatter spectrum shows no spectral features indicating observation of collective plasmon oscillations on amore » scattering length comparable to the screening length. Moreover, this technique is a prerequisite for Thomson scattering measurements in compressed matter where the plasmon shift is a sensitive function of the free electron density and where the plasmon intensity provides information on temperature.« less

  8. Neural network approach to quantum-chemistry data: accurate prediction of density functional theory energies.

    PubMed

    Balabin, Roman M; Lomakina, Ekaterina I

    2009-08-21

    Artificial neural network (ANN) approach has been applied to estimate the density functional theory (DFT) energy with large basis set using lower-level energy values and molecular descriptors. A total of 208 different molecules were used for the ANN training, cross validation, and testing by applying BLYP, B3LYP, and BMK density functionals. Hartree-Fock results were reported for comparison. Furthermore, constitutional molecular descriptor (CD) and quantum-chemical molecular descriptor (QD) were used for building the calibration model. The neural network structure optimization, leading to four to five hidden neurons, was also carried out. The usage of several low-level energy values was found to greatly reduce the prediction error. An expected error, mean absolute deviation, for ANN approximation to DFT energies was 0.6+/-0.2 kcal mol(-1). In addition, the comparison of the different density functionals with the basis sets and the comparison of multiple linear regression results were also provided. The CDs were found to overcome limitation of the QD. Furthermore, the effective ANN model for DFT/6-311G(3df,3pd) and DFT/6-311G(2df,2pd) energy estimation was developed, and the benchmark results were provided.

  9. Bone mineral density level by dual energy X-ray absorptiometry in rheumatoid arthritis.

    PubMed

    Makhdoom, Asadullah; Rahopoto, Muhammad Qasim; Awan, Shazia; Tahir, Syed Muhammad; Memon, Shazia; Siddiqui, Khaleeque Ahmed

    2017-01-01

    To observe the level of bone mineral density by Dual Energy X-ray Absorptiometry in rheumatoid arthritis patients. The observational study was conducted at Liaquat University of Medical and Health Sciences, Jamshoro, Pakistan, from January 2011 to December 2014. Bone mineral density was measured from the femoral neck, ward's triangle and lumbar spine, in patients 25-55 years of age, who were diagnosed with rheumatoid arthritis. All the cases were assessed for bone mineral density from appendicular as well as axial skeleton. Data was collected through a designed proforma and analysis was performed using SPSS 21. Of the 229 rheumatoid arthritis patients, 33(14.4%) were males. Five (15.1%) males had normal bone density, 14(42.4%) had osteopenia and 14(42.4%) had osteoporosis. Of the 196(85.5%) females, 45(29.9%) had normal bone density, 72 (37.7%) had osteopenia and 79(40.30%) had osteoporosis. Of the 123(53.7%) patients aged 30-50 years, 38(30.9%) had normal bone density, 59(48.0%) had osteopenia, and 26(21.1%) had osteoporosis. Of the 106(46.3%) patients over 50 years, 12(11.3%) had normal bone density, 27 (25.5%) had osteopenia and 67(63.2%) had osteoporosis. Osteoporosis and osteopenia were most common among rheumatoid arthritis patients. Assessment of bone mineral density by Dual Energy X-ray Absorptiometry can lead to quick relief in the clinical symptoms with timely therapy.

  10. A Method to Improve Electron Density Measurement of Cone-Beam CT Using Dual Energy Technique

    PubMed Central

    Men, Kuo; Dai, Jian-Rong; Li, Ming-Hui; Chen, Xin-Yuan; Zhang, Ke; Tian, Yuan; Huang, Peng; Xu, Ying-Jie

    2015-01-01

    Purpose. To develop a dual energy imaging method to improve the accuracy of electron density measurement with a cone-beam CT (CBCT) device. Materials and Methods. The imaging system is the XVI CBCT system on Elekta Synergy linac. Projection data were acquired with the high and low energy X-ray, respectively, to set up a basis material decomposition model. Virtual phantom simulation and phantoms experiments were carried out for quantitative evaluation of the method. Phantoms were also scanned twice with the high and low energy X-ray, respectively. The data were decomposed into projections of the two basis material coefficients according to the model set up earlier. The two sets of decomposed projections were used to reconstruct CBCT images of the basis material coefficients. Then, the images of electron densities were calculated with these CBCT images. Results. The difference between the calculated and theoretical values was within 2% and the correlation coefficient of them was about 1.0. The dual energy imaging method obtained more accurate electron density values and reduced the beam hardening artifacts obviously. Conclusion. A novel dual energy CBCT imaging method to calculate the electron densities was developed. It can acquire more accurate values and provide a platform potentially for dose calculation. PMID:26346510

  11. A Class of Organopolysulfides As Liquid Cathode Materials for High-Energy-Density Lithium Batteries.

    PubMed

    Bhargav, Amruth; Bell, Michaela Elaine; Karty, Jonathan; Cui, Yi; Fu, Yongzhu

    2018-06-27

    Sulfur-based cathodes are promising to enable high-energy-density lithium-sulfur batteries; however, elemental sulfur as active material faces several challenges, including undesirable volume change (∼80%) when completely reduced and high dependence on liquid electrolyte wherein an electrolyte/sulfur ratio >10 μL mg -1 is required for high material utilization. These limit the attainable energy densities of these batteries. Herein, we introduce a new class of phenyl polysulfides C 6 H 5 S x C 6 H 5 (4 ≤ x ≤ 6) as liquid cathode materials synthesized in a facile and scalable route to mitigate these setbacks. These polysulfides possess sufficiently high theoretical specific capacities, specific energies, and energy densities. Spectroscopic techniques verify their chemical composition and computation shows that the volume change when reduced is about 37%. Lithium half-cell testing shows that phenyl hexasulfide (C 6 H 5 S 6 C 6 H 5 ) can provide a specific capacity of 650 mAh g -1 and capacity retention of 80% through 500 cycles at 1 C rate along with superlative performance up to 10 C. Furthermore, 1302 Wh kg -1 and 1720 Wh L -1 are achievable at a low electrolyte/active material ratio, i.e., 3 μL mg -1 . This work adds new members to the cathode family for Li-S batteries, reduces the gap between the theoretical and practical energy densities of batteries, and provides a new direction for the development of alternative high-capacity cathode materials.

  12. Measuring opacities for high energy density matter

    DOE PAGES

    Bailey, James E.

    2015-07-01

    How does energy propagate from the solar core to the surface of the sun, where it emerges to warm the Earth? How old are the stellar systems that host the numerous exoplanets that have now been discovered outside our solar system? How does radiation penetrate and heat an inertial fusion capsule? The answers to these seemingly disparate questions hinge on knowledge of the fundamental material property that controls the absorption of radiation: opacity. Opacity plays a critical role for many high energy density (HED) systems and is highly important for the NNSA stewardship mission. In addition, laboratory astrophysics research servesmore » as a conduit for establishing collaborations between the NNSA laboratories, between the NNSA laboratories and universities, and between the NNSA laboratories and our international partners. Exposure to open peer review sharpens the research capabilities and interactions of NNSA scientists with students and professors as a natural path for recruiting the next generation of stockpile stewards.« less

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

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

    Attarian Shandiz, M., E-mail: mohammad.attarianshandiz@mail.mcgill.ca; Gauvin, R.

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

  14. Strongly Interacting Matter at Very High Energy Density

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

    McLerran, L.

    2011-06-05

    The authors discuss the study of matter at very high energy density. In particular: what are the scientific questions; what are the opportunities to makes significant progress in the study of such matter and what facilities are now or might be available in the future to answer the scientific questions? The theoretical and experimental study of new forms of high energy density matter is still very much a 'wild west' field. There is much freedom for developing new concepts which can have order one effects on the way we think about such matter. It is also a largely 'lawless' field,more » in that concepts and methods are being developed as new information is generated. There is also great possibility for new experimental discovery. Most of the exciting results from RHIC experiments were unanticipated. The methods used for studying various effects like flow, jet quenching, the ridge, two particle correlations etc. were developed as experiments evolved. I believe this will continue to be the case at LHC and as we use existing and proposed accelerators to turn theoretical conjecture into tangible reality. At some point this will no doubt evolve into a precision science, and that will make the field more respectable, but for my taste, the 'wild west' times are the most fun.« less

  15. Electron density profile measurements at a self-focusing ion beam with high current density and low energy extracted through concave electrodes.

    PubMed

    Fujiwara, Y; Hirano, Y; Kiyama, S; Nakamiya, A; Koguchi, H; Sakakita, H

    2014-02-01

    The self-focusing phenomenon has been observed in a high current density and low energy ion beam. In order to study the mechanism of this phenomenon, a special designed double probe to measure the electron density and temperature is installed into the chamber where the high current density ion beam is injected. Electron density profile is successfully measured without the influence of the ion beam components. Estimated electron temperature and density are ∼0.9 eV and ∼8 × 10(8) cm(-3) at the center of ion beam cross section, respectively. It was found that a large amount of electrons are spontaneously accumulated in the ion beam line in the case of self-forcing state.

  16. 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.

  17. High Discharge Energy Density at Low Electric Field Using an Aligned Titanium Dioxide/Lead Zirconate Titanate Nanowire Array

    PubMed Central

    Zhang, Dou; Liu, Weiwei; Guo, Ru; Zhou, Kechao

    2017-01-01

    Abstract Polymer‐based capacitors with high energy density have attracted significant attention in recent years due to their wide range of potential applications in electronic devices. However, the obtained high energy density is predominantly dependent on high applied electric field, e.g., 400–600 kV mm−1, which may bring more challenges relating to the failure probability. Here, a simple two‐step method for synthesizing titanium dioxide/lead zirconate titanate nanowire arrays is exploited and a demonstration of their ability to achieve high discharge energy density capacitors for low operating voltage applications is provided. A high discharge energy density of 6.9 J cm−3 is achieved at low electric fields, i.e., 143 kV mm−1, which is attributed to the high relative permittivity of 218.9 at 1 kHz and high polarization of 23.35 µC cm−2 at this electric field. The discharge energy density obtained in this work is the highest known for a ceramic/polymer nanocomposite at such a low electric field. The novel nanowire arrays used in this work are applicable to a wide range of fields, such as energy harvesting, energy storage, and photocatalysis. PMID:29610724

  18. High Discharge Energy Density at Low Electric Field Using an Aligned Titanium Dioxide/Lead Zirconate Titanate Nanowire Array.

    PubMed

    Zhang, Dou; Liu, Weiwei; Guo, Ru; Zhou, Kechao; Luo, Hang

    2018-02-01

    Polymer-based capacitors with high energy density have attracted significant attention in recent years due to their wide range of potential applications in electronic devices. However, the obtained high energy density is predominantly dependent on high applied electric field, e.g., 400-600 kV mm -1 , which may bring more challenges relating to the failure probability. Here, a simple two-step method for synthesizing titanium dioxide/lead zirconate titanate nanowire arrays is exploited and a demonstration of their ability to achieve high discharge energy density capacitors for low operating voltage applications is provided. A high discharge energy density of 6.9 J cm -3 is achieved at low electric fields, i.e., 143 kV mm -1 , which is attributed to the high relative permittivity of 218.9 at 1 kHz and high polarization of 23.35 µC cm -2 at this electric field. The discharge energy density obtained in this work is the highest known for a ceramic/polymer nanocomposite at such a low electric field. The novel nanowire arrays used in this work are applicable to a wide range of fields, such as energy harvesting, energy storage, and photocatalysis.

  19. Direct Density Functional Energy Minimization using an Tetrahedral Finite Element Grid

    NASA Astrophysics Data System (ADS)

    Vaught, A.; Schmidt, K. E.; Chizmeshya, A. V. G.

    1998-03-01

    We describe an O(N) (N proportional to volume) technique for solving electronic structure problems using the finite element method (FEM). A real--space tetrahedral grid is used as a basis to represent the electronic density, of a free or periodic system and Poisson's equation is solved as a boundary value problem. Nuclear cusps are treated using a local grid consisting of radial elements. These features facilitate the implementation of complicated energy functionals and permit a direct (constrained) energy minimization with respect to the density. We demonstrate the usefulness of the scheme by calculating the binding trends and polarizabilities of a number of atoms and molecules using a number of recently proposed non--local, orbital--free kinetic energy functionals^1,2. Scaling behavior, computational efficiency and the generalization to band--structure will also be discussed. indent 0 pt øbeylines øbeyspaces skip 0 pt ^1 P. Garcia-Gonzalez, J.E. Alvarellos and E. Chacon, Phys. Rev. B 54, 1897 (1996). ^2 A. J. Thakkar, Phys.Rev.B 46, 6920 (1992).

  20. Nanostructured Electrode Materials Derived from Metal-Organic Framework Xerogels for High-Energy-Density Asymmetric Supercapacitor.

    PubMed

    Mahmood, Asif; Zou, Ruqiang; Wang, Qingfei; Xia, Wei; Tabassum, Hassina; Qiu, Bin; Zhao, Ruo

    2016-01-27

    This work successfully demonstrates metal-organic framework (MOF) derived strategy to prepare nanoporous carbon (NPC) with or without Fe3O4/Fe nanoparticles by the optimization of calcination temperature as highly active electrode materials for asymmetric supercapacitors (ASC). The nanostructured Fe3O4/Fe/C hybrid shows high specific capacitance of 600 F/g at a current density of 1 A/g and excellent capacitance retention up to 500 F/g at 8 A/g. Furthermore, hierarchically NPC with high surface area also obtained from MOF gels displays excellent electrochemical performance of 272 F/g at 2 mV/s. Considering practical applications, aqueous ASC (aASC) was also assembled, which shows high energy density of 17.496 Wh/kg at the power density of 388.8 W/kg. The high energy density and excellent capacity retention of the developed materials show great promise for the practical utilization of these energy storage devices.

  1. High Energy Density Capacitors for Pulsed Power Applications

    DTIC Science & Technology

    2009-07-01

    As a result of this effort, the US Military has access to capacitors that are about a third the size and half the cost of the capacitors that were...resistor in terms of shock and vibration, mounting requirements, total volume, system reliability, and cost . All of these parameters were improved...it t tipo ymer m qua y an capac or cons ruc on. Energy Density of 10,000 Shot High Efficiency Pulse Power Capacitors The primary driver was 1 5

  2. A Microelectromechanical High-Density Energy Storage/Rapid Release System

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

    Rodgers, M. Steven; Allen, Jim J.; Meeks, Kent D.

    1999-07-21

    One highly desirable characteristic of electrostatically driven microelectromechanical systems (MEMS) is that they consume very little power. The corresponding drawback is that the force they produce may be inadequate for many applications. It has previously been demonstrated that gear reduction units or microtransmissions can substantially increase the torque generated by microengines. Operating speed, however, is also reduced by the transmission gear ratio. Some applications require both high speed and high force. If this output is only required for a limited period of time, then energy could be stored in a mechanical system and rapidly released upon demand. We have designed,more » fabricated, and demonstrated a high-density energy storage/rapid release system that accomplishes this task. Built using a 5-level surface micromachining technology, the assembly closely resembles a medieval crossbow. Energy releases on the order of tens of nanojoules have already been demonstrated, and significantly higher energy systems are under development.« less

  3. The calculations of small molecular conformation energy differences by density functional method

    NASA Astrophysics Data System (ADS)

    Topol, I. A.; Burt, S. K.

    1993-03-01

    The differences in the conformational energies for the gauche (G) and trans(T) conformers of 1,2-difluoroethane and for myo-and scyllo-conformer of inositol have been calculated by local density functional method (LDF approximation) with geometry optimization using different sets of calculation parameters. It is shown that in the contrast to Hartree—Fock methods, density functional calculations reproduce the correct sign and value of the gauche effect for 1,2-difluoroethane and energy difference for both conformers of inositol. The results of normal vibrational analysis for1,2-difluoroethane showed that harmonic frequencies calculated in LDF approximation agree with experimental data with the accuracy typical for scaled large basis set Hartree—Fock calculations.

  4. Quasi-Solid-State Sodium-Ion Full Battery with High-Power/Energy Densities.

    PubMed

    Guo, Jin-Zhi; Yang, Ai-Bo; Gu, Zhen-Yi; Wu, Xing-Long; Pang, Wei-Lin; Ning, Qiu-Li; Li, Wen-Hao; Zhang, Jing-Ping; Su, Zhong-Min

    2018-05-30

    Developing a high-performance, low-cost, and safer rechargeable battery is a primary challenge in next-generation electrochemical energy storage. In this work, a quasi-solid-state (QSS) sodium-ion full battery (SIFB) is designed and fabricated. Hard carbon cloth derived from cotton cloth and Na 3 V 2 (PO 4 ) 2 O 2 F (NVPOF) are employed as the anode and the cathode, respectively, and a sodium ion-conducting gel-polymer membrane is used as both the QSS electrolyte and separator, accomplishing the high energy and power densities in the QSS sodium-ion batteries. The energy density can reach 460 W h kg -1 according to the mass of the cathode materials. Moreover, the fabricated QSS SIFB also exhibits an excellent rate performance (e.g., about 78.1 mA h g -1 specific capacity at 10 C) and a superior cycle performance (e.g., ∼90% capacity retention after 500 cycles at 10 C). These results show that the developed QSS SIFB is a hopeful candidate for large-scale energy storage.

  5. Adiabatic corrections to density functional theory energies and wave functions.

    PubMed

    Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas

    2008-09-25

    The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT.

  6. Thermodynamic neutral density: A new physically-based, energy-constrained, materially conserved neutral density variable for quantifying mixing and tracking water masses in the ocean

    NASA Astrophysics Data System (ADS)

    Tailleux, R.

    2016-02-01

    A new materially-conserved quasi-neutral density variable has been constructed, called thermodynamic neutral density. It is composed of two parts. The first part is the Lorenz reference density entering Lorenz theory of available potential energy, which can be interpreted as the potential density of a fluid parcel referenced to the pressure it would have in Lorenz reference state of minimum potential energy. The second part is an empirical correction for pressure, which can be suitably chosen to make thermodynamic neutral density a very good approximation of Jackett and McDougall (1997) neutral density over most of the ocean water masses for which the latter is defined. Thermodynamic neutral density possesses many advantages over the empirically constructed Jackett and McDougall (1997) neutral density: 1) it is physically-based; 2) it is easily computed using fast and efficient methods for arbitrary states of the ocean, not just the present state, using the recently developed methodology by Saenz et al. (2015); 3) it is exactly neutral in a state of rest, and approximately neutral in the present ocean; 4) it is exactly materially conserved (it is a function of salinity and potential temperature only) and not plagued by unphysical nonmaterial effects, so can be used unambiguously to define and diagnose diapycnal and isopycnal mixing; 5) it is based on available potential energy, and therefore is the most suitable variable to discuss the energy cost of adiabatic stirring; 6) it is the variable that should be used to define the isopycnal and diapycnal directions in rotated diffusion tensor, as it can be shown that using the directions defined by the local neutral tangent plane as currently done causes spurious destruction of water masses. References: J. A. Saenz, R. Tailleux, E.D. Butler, G.O. Hughes, and K.I.C. Oliver, 2015: Estimating Lorenz's reference state in an ocean with a nonlinear equation of state for seawater. J. Phys. Oceanogr., 45, 1242—1257

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

    PubMed

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

    2018-05-23

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

  8. Diet density during the first week of life: Effects on energy and nitrogen balance characteristics of broiler chickens.

    PubMed

    Lamot, D M; Sapkota, D; Wijtten, P J A; van den Anker, I; Heetkamp, M J W; Kemp, B; van den Brand, H

    2017-07-01

    This study aimed to determine effects of diet density on growth performance, energy balance, and nitrogen (N) balance characteristics of broiler chickens during the first wk of life. Effects of diet density were studied using a dose-response design consisting of 5 dietary fat levels (3.5, 7.0, 10.5, 14.0, and 17.5%). The relative difference in dietary energy level was used to increase amino acid levels, mineral levels, and the premix inclusion level at the same ratio. Chickens were housed in open-circuit climate respiration chambers from d 0 to 7 after hatch. Body weight was measured on d 0 and 7, whereas feed intake was determined daily. For calculation of energy balances, O2 and CO2 exchange were measured continuously and all excreta from d 0 to 7 was collected and analyzed at d 7. Average daily gain (ADG) and average daily feed intake (ADFI) decreased linearly (P = 0.047 and P < 0.001, respectively), whereas gain to feed ratio increased (P < 0.001) with increasing diet density. Gross energy (GE) intake and metabolizable energy (ME) intake were not affected by diet density, but the ratio between ME and GE intake decreased linearly with increasing diet density (P = 0.006). Fat, N, and GE efficiencies (expressed as gain per unit of nutrient intake), heat production, and respiratory exchange ratio (CO2 to O2 ratio) decreased linearly (P < 0.001) as diet density increased. Energy retention, N intake, and N retention were not affected by diet density. We conclude that a higher diet density in the first wk of life of broiler chickens did not affect protein and fat retention, whereas the ME to GE ratio decreased linearly with increased diet density. This suggests that diet density appears to affect digestibility rather than utilization of nutrients. © 2017 Poultry Science Association Inc.

  9. Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

    2016-04-01

    We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

  10. A low cost, high energy density and long cycle life potassium-sulfur battery for grid-scale energy storage

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

    Lu, Xiaochuan; Bowden, Mark E.; Sprenkle, Vincent L.

    2015-08-15

    Alkali metal-sulfur batteries are attractive for energy storage applications because of their high energy density. Among the batteries, lithium-sulfur batteries typically use liquid in the battery electrolyte, which causes problems in both performance and safety. Sodium-sulfur batteries can use a solid electrolyte such as beta alumina but this requires a high operating temperature. Here we report a novel potassium-sulfur battery with K+-conducting beta-alumina as the electrolyte. Our studies indicate that liquid potassium exhibits much better wettability on the surface of beta-alumina compared to liquid sodium at lower temperatures. Based on this observation, we develop a potassium-sulfur battery that can operatemore » at as low as 150°C with excellent performance. In particular, the battery shows excellent cycle life with negligible capacity fade in 1000 cycles because of the dense ceramic membrane. This study demonstrates a new battery with a high energy density, long cycle life, low cost and high safety, which is ideal for grid-scale energy storage.« less

  11. Moiré deflectometry using the Talbot-Lau interferometer as refraction diagnostic for High Energy Density plasmas at energies below 10 keV

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

    Valdivia, M. P.; Stutman, D.; Finkenthal, M.

    2014-07-15

    The highly localized density gradients expected in High Energy Density (HED) plasma experiments can be characterized by x-ray phase-contrast imaging in addition to conventional attenuation radiography. Moiré deflectometry using the Talbot-Lau grating interferometer setup is an attractive HED diagnostic due to its high sensitivity to refraction induced phase shifts. We report on the adaptation of such a system for operation in the sub-10 keV range by using a combination of free standing and ultrathin Talbot gratings. This new x-ray energy explored matches well the current x-ray backlighters used for HED experiments, while also enhancing phase effects at lower electron densities.more » We studied the performance of the high magnification, low energy Talbot-Lau interferometer, for single image phase retrieval using Moiré fringe deflectometry. Our laboratory and simulation studies indicate that such a device is able to retrieve object electron densities from phase shift measurements. Using laboratory x-ray sources from 7 to 15 μm size we obtained accurate simultaneous measurements of refraction and attenuation for both sharp and mild electron density gradients.« less

  12. High energy and power density asymmetric supercapacitors using electrospun cobalt oxide nanowire anode

    NASA Astrophysics Data System (ADS)

    Vidyadharan, Baiju; Aziz, Radhiyah Abd; Misnon, Izan Izwan; Anil Kumar, Gopinathan M.; Ismail, Jamil; Yusoff, Mashitah M.; Jose, Rajan

    2014-12-01

    Electrochemical materials are under rigorous search for building advanced energy storage devices. Herein, supercapacitive properties of highly crystalline and ultrathin cobalt oxide (Co3O4) nanowires (diameter ∼30-60 nm) synthesized using an aqueous polymeric solution based electrospinning process are reported. These nanowire electrodes show a specific capacitance (CS) of ∼1110 F g-1 in 6 M KOH at a current density of 1 A g-1 with coulombic efficiency ∼100%. Asymmetric supercapacitors (ASCs) (CS ∼175 F g-1 at 2 A g-1 galvanostatic cycling) are fabricated using the Co3O4 as anode and commercial activated carbon (AC) as cathode and compared their performance with symmetric electrochemical double layer capacitors (EDLCs) fabricated using AC (CS ∼31 F g-1 at 2 A g-1 galvanostatic cycling). The Co3O4//AC ASCs deliver specific energy densities (ES) of 47.6, 35.4, 20 and 8 Wh kg-1 at specific power densities (PS) 1392, 3500, 7000 and 7400 W kg-1, respectively. The performance of ASCs is much superior to the control EDLCs, which deliver ES of 9.2, 8.9, 8.4 and 6.8 Wh kg-1 at PS 358, 695, 1400 and 3500 W kg-1, respectively. The ASCs show nearly six times higher energy density (∼47.6 Wh kg-1) than EDLC (8.4 Wh kg-1) without compromising its power density (∼1400 W kg-1) at similar galvanostatic cycling conditions (2 A g-1).

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

    PubMed

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

    2016-09-14

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

  14. A Novel Creep-Fatigue Life Prediction Model for P92 Steel on the Basis of Cyclic Strain Energy Density

    NASA Astrophysics Data System (ADS)

    Ji, Dongmei; Ren, Jianxing; Zhang, Lai-Chang

    2016-11-01

    A novel creep-fatigue life prediction model was deduced based on an expression of the strain energy density in this study. In order to obtain the expression of the strain energy density, the load-controlled creep-fatigue (CF) tests of P92 steel at 873 K were carried out. Cyclic strain of P92 steel under CF load was divided into elastic strain, applying and unloading plastic strain, creep strain, and anelastic strain. Analysis of cyclic strain indicates that the damage process of P92 steel under CF load consists of three stages, similar to pure creep. According to the characteristics of the strains above, an expression was defined to describe the strain energy density for each cycle. The strain energy density at stable stage is inversely proportional to the total strain energy density dissipated by P92 steel. However, the total strain energy densities under different test conditions are proportional to the fatigue life. Therefore, the expression of the strain energy density at stable stage was chosen to predict the fatigue life. The CF experimental data on P92 steel were employed to verify the rationality of the novel model. The model obtained from the load-controlled CF test of P92 steel with short holding time could predict the fatigue life of P92 steel with long holding time.

  15. Titanium Disulfide Coated Carbon Nanotube Hybrid Electrodes Enable High Energy Density Symmetric Pseudocapacitors.

    PubMed

    Zang, Xining; Shen, Caiwei; Kao, Emmeline; Warren, Roseanne; Zhang, Ruopeng; Teh, Kwok Siong; Zhong, Junwen; Wei, Minsong; Li, Buxuan; Chu, Yao; Sanghadasa, Mohan; Schwartzberg, Adam; Lin, Liwei

    2018-02-01

    While electrochemical supercapacitors often show high power density and long operation lifetimes, they are plagued by limited energy density. Pseudocapacitive materials, in contrast, operate by fast surface redox reactions and are shown to enhance energy storage of supercapacitors. Furthermore, several reported systems exhibit high capacitance but restricted electrochemical voltage windows, usually no more than 1 V in aqueous electrolytes. Here, it is demonstrated that vertically aligned carbon nanotubes (VACNTs) with uniformly coated, pseudocapacitive titanium disulfide (TiS 2 ) composite electrodes can extend the stable working range to over 3 V to achieve a high capacitance of 195 F g -1 in an Li-rich electrolyte. A symmetric cell demonstrates an energy density of 60.9 Wh kg -1 -the highest among symmetric pseudocapacitors using metal oxides, conducting polymers, 2D transition metal carbides (MXene), and other transition metal dichalcogenides. Nanostructures prepared by an atomic layer deposition/sulfurization process facilitate ion transportation and surface reactions to result in a high power density of 1250 W kg -1 with stable operation over 10 000 cycles. A flexible solid-state supercapacitor prepared by transferring the TiS 2 -VACNT composite film onto Kapton tape is demonstrated to power a 2.2 V light emitting diode (LED) for 1 min. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Stability of mechanical joints in launching vehicles: Local and global stationary values of energy density

    NASA Astrophysics Data System (ADS)

    Chue, Ching-Hwei

    A method was developed for predicting the behavior of mechanical joints in launch vehicles with particular emphasis placed on how the combined effects of loading, geometry, and materials could be optimized in terms of structure instability and/or integrity. What was considered to be essential is the fluctuation of the volume energy density with time in the structure. The peaks and valleys of the volume energy density function will be associated with failure by fracture and/or yielding while the distance between their local and global stationary values govern the structure instability. The Solid Rocket Booster (SRB) of the space shuttle was analyzed under axisymmetric and non-axisymmetric loadings. A semi-analytical finite element program was developed for solving the case of non-axisymmetric loading. Following a dynamic stress analysis, contours of the volume energy density in the structure were obtained as a function of time. The magnitudes and locations of these stationary values were then calculated locally and globally and related to possible failure by fracture. In the case of axisymmetric flight, the local and global instability behavior do not change appreciably. Fluctuations in the energy density and the dynamic stability length parameter become appreciable when the non-axisymmetric loads are considered. The magnitude of the energy in the shell structure is sensitive to alterations in the gas pressure induced by the solid propellant.

  17. Boosting the Energy Density of Carbon-Based Aqueous Supercapacitors by Optimizing the Surface Charge.

    PubMed

    Yu, Minghao; Lin, Dun; Feng, Haobin; Zeng, Yinxiang; Tong, Yexiang; Lu, Xihong

    2017-05-08

    The voltage of carbon-based aqueous supercapacitors is limited by the water splitting reaction occurring in one electrode, generally resulting in the promising but unused potential range of the other electrode. Exploiting this unused potential range provides the possibility for further boosting their energy density. An efficient surface charge control strategy was developed to remarkably enhance the energy density of multiscale porous carbon (MSPC) based aqueous symmetric supercapacitors (SSCs) by controllably tuning the operating potential range of MSPC electrodes. The operating voltage of the SSCs with neutral electrolyte was significantly expanded from 1.4 V to 1.8 V after simple adjustment, enabling the energy density of the optimized SSCs reached twice as much as the original. Such a facile strategy was also demonstrated for the aqueous SSCs with acidic and alkaline electrolytes, and is believed to bring insight in the design of aqueous supercapacitors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms.

    PubMed

    Vyboishchikov, Sergei F

    2016-12-05

    We report correlation energies, electron densities, and exchange-correlation potentials obtained from configuration interaction and density functional calculations on spherically confined He, Be, Be 2+ , and Ne atoms. The variation of the correlation energy with the confinement radius R c is relatively small for the He, Be 2+ , and Ne systems. Curiously, the Lee-Yang-Parr (LYP) functional works well for weak confinements but fails completely for small R c . However, in the neutral beryllium atom the CI correlation energy increases markedly with decreasing R c . This effect is less pronounced at the density-functional theory level. The LYP functional performs very well for the unconfined Be atom, but fails badly for small R c . The standard exchange-correlation potentials exhibit significant deviation from the "exact" potential obtained by inversion of Kohn-Sham equation. The LYP correlation potential behaves erratically at strong confinements. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  19. Thermodynamic, energy efficiency, and power density analysis of reverse electrodialysis power generation with natural salinity gradients.

    PubMed

    Yip, Ngai Yin; Vermaas, David A; Nijmeijer, Kitty; Elimelech, Menachem

    2014-05-06

    Reverse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows into the sea for sustainable power generation. In this study, we carry out a thermodynamic and energy efficiency analysis of RED power generation, and assess the membrane power density. First, we present a reversible thermodynamic model for RED and verify that the theoretical maximum extractable work in a reversible RED process is identical to the Gibbs free energy of mixing. Work extraction in an irreversible process with maximized power density using a constant-resistance load is then examined to assess the energy conversion efficiency and power density. With equal volumes of seawater and river water, energy conversion efficiency of ∼ 33-44% can be obtained in RED, while the rest is lost through dissipation in the internal resistance of the ion-exchange membrane stack. We show that imperfections in the selectivity of typical ion exchange membranes (namely, co-ion transport, osmosis, and electro-osmosis) can detrimentally lower efficiency by up to 26%, with co-ion leakage being the dominant effect. Further inspection of the power density profile during RED revealed inherent ineffectiveness toward the end of the process. By judicious early discontinuation of the controlled mixing process, the overall power density performance can be considerably enhanced by up to 7-fold, without significant compromise to the energy efficiency. Additionally, membrane resistance was found to be an important factor in determining the power densities attainable. Lastly, the performance of an RED stack was examined for different membrane conductivities and intermembrane distances simulating high performance membranes and stack design. By thoughtful selection of the operating parameters, an efficiency of ∼ 37% and an overall gross power density of 3.5 W/m(2) represent the maximum performance that can potentially be achieved in a seawater-river water RED system with low

  20. Weavable, Conductive Yarn-Based NiCo//Zn Textile Battery with High Energy Density and Rate Capability.

    PubMed

    Huang, Yan; Ip, Wing Shan; Lau, Yuen Ying; Sun, Jinfeng; Zeng, Jie; Yeung, Nga Sze Sea; Ng, Wing Sum; Li, Hongfei; Pei, Zengxia; Xue, Qi; Wang, Yukun; Yu, Jie; Hu, Hong; Zhi, Chunyi

    2017-09-26

    With intrinsic safety and much higher energy densities than supercapacitors, rechargeable nickel/cobalt-zinc-based textile batteries are promising power sources for next generation personalized wearable electronics. However, high-performance wearable nickel/cobalt-zinc-based batteries are rarely reported because there is a lack of industrially weavable and knittable highly conductive yarns. Here, we use scalably produced highly conductive yarns uniformly covered with zinc (as anode) and nickel cobalt hydroxide nanosheets (as cathode) to fabricate rechargeable yarn batteries. They possess a battery level capacity and energy density, as well as a supercapacitor level power density. They deliver high specific capacity of 5 mAh cm -3 and energy densities of 0.12 mWh cm -2 and 8 mWh cm -3 (based on the whole solid battery). They exhibit ultrahigh rate capabilities of 232 C (liquid electrolyte) and 116 C (solid electrolyte), which endows the batteries excellent power densities of 32.8 mW cm -2 and 2.2 W cm -3 (based on the whole solid battery). These are among the highest values reported so far. A wrist band battery is further constructed by using a large conductive cloth woven from the conductive yarns by a commercial weaving machine. It powers various electronic devices successfully, enabling dual functions of wearability and energy storage.

  1. A novel high-density power energy harvesting methodology for transmission line online monitoring devices.

    PubMed

    Liu, Yadong; Xie, Xiaolei; Hu, Yue; Qian, Yong; Sheng, Gehao; Jiang, Xiuchen; Liu, Yilu

    2016-07-01

    This paper presents a novel energy-harvesting model which takes the primary current, secondary turns, dimension, the magnitude of magnetic flux density B, and the core loss resistance into consideration systematically. The relationship among the potential maximum output power, the dimension of energy harvesting coil (EHC), the load type of EHC, and the secondary turns is predicted by theoretical analysis and further verified by experiments. A high power density harvester is also developed and tested. It is shown that the power density of this novel harvester is 0.7 mW/g at 10 A, which is more than 2 times powerful than the traditional ones. Hence, it could lighten the half weight of the harvester at the same conditions.

  2. Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining

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

    Leonard, T.; Lander, B.; Seifert, U.

    2013-11-28

    We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example, simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski relation connecting work with the change of free energy holds if the time evolution of the density follows the Kawasaki-Dean equation. Specifically, we study the work distributions for the compression and expansion of a two-dimensional colloidal model suspension implementing a practical coarse-graining scheme of the microscopic particle positions. We demonstrate that even if coarse-grained dynamics and density functional do not match, the fluctuation relations for themore » work still hold albeit for a different, apparent, change of free energy.« less

  3. 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.

  4. 3D macroporous graphene frameworks for supercapacitors with high energy and power densities.

    PubMed

    Choi, Bong Gill; Yang, Minho; Hong, Won Hi; Choi, Jang Wook; Huh, Yun Suk

    2012-05-22

    In order to develop energy storage devices with high power and energy densities, electrodes should hold well-defined pathways for efficient ionic and electronic transport. Herein, we demonstrate high-performance supercapacitors by building a three-dimensional (3D) macroporous structure that consists of chemically modified graphene (CMG). These 3D macroporous electrodes, namely, embossed-CMG (e-CMG) films, were fabricated by using polystyrene colloidal particles as a sacrificial template. Furthermore, for further capacitance boost, a thin layer of MnO(2) was additionally deposited onto e-CMG. The porous graphene structure with a large surface area facilitates fast ionic transport within the electrode while preserving decent electronic conductivity and thus endows MnO(2)/e-CMG composite electrodes with excellent electrochemical properties such as a specific capacitance of 389 F/g at 1 A/g and 97.7% capacitance retention upon a current increase to 35 A/g. Moreover, when the MnO(2)/e-CMG composite electrode was asymmetrically assembled with an e-CMG electrode, the assembled full cell shows remarkable cell performance: energy density of 44 Wh/kg, power density of 25 kW/kg, and excellent cycle life.

  5. Novel LLM series high density energy materials: Synthesis, characterization, and thermal stability

    NASA Astrophysics Data System (ADS)

    Pagoria, Philip; Zhang, Maoxi; Tsyshevskiy, Roman; Kuklja, Maija

    Novel high density energy materials must satisfy specific requirements, such as an increased performance, reliably high stability to external stimuli, cost-efficiency and ease of synthesis, be environmentally benign, and be safe for handling and transportation. During the last decade, the attention of researchers has drifted from widely used nitroester-, nitramine-, and nitroaromatic-based explosives to nitrogen-rich heterocyclic compounds. Good thermal stability, the low melting point, high density, and moderate sensitivity make heterocycle materials attractive candidates for use as oxidizers in rocket propellants and fuels, secondary explosives, and possibly as melt-castable ingredients of high explosive formulations. In this report, the synthesis, characterization, and results of quantum-chemical DFT study of thermal stability of LLM-191, LLM-192 and LLM-200 high density energy materials are presented. Work performed under the auspices of the DOE by the LLNL (Contract DE-AC52-07NA27344). This research is supported in part by ONR (Grant N00014-12-1-0529) and NSF. We used NSF XSEDE (Grant DMR-130077) and DOE NERSC (Contract DE-AC02-05CH11231) resources.

  6. Graphene-based in-plane micro-supercapacitors with high power and energy densities

    PubMed Central

    Wu, Zhong–Shuai; Parvez, Khaled; Feng, Xinliang; Müllen, Klaus

    2013-01-01

    Micro-supercapacitors are important on-chip micro-power sources for miniaturized electronic devices. Although the performance of micro-supercapacitors has been significantly advanced by fabricating nanostructured materials, developing thin-film manufacture technologies and device architectures, their power or energy densities remain far from those of electrolytic capacitors or lithium thin-film batteries. Here we demonstrate graphene-based in-plane interdigital micro-supercapacitors on arbitrary substrates. The resulting micro-supercapacitors deliver an area capacitance of 80.7 μF cm−2 and a stack capacitance of 17.9 F cm−3. Further, they show a power density of 495 W cm−3 that is higher than electrolytic capacitors, and an energy density of 2.5 mWh cm−3 that is comparable to lithium thin-film batteries, in association with superior cycling stability. Such microdevices allow for operations at ultrahigh rate up to 1,000 V s−1, three orders of magnitude higher than that of conventional supercapacitors. Micro-supercapacitors with an in-plane geometry have great promise for numerous miniaturized or flexible electronic applications. PMID:24042088

  7. Graphene-based in-plane micro-supercapacitors with high power and energy densities.

    PubMed

    Wu, Zhong-Shuai; Parvez, Khaled; Feng, Xinliang; Müllen, Klaus

    2013-01-01

    Micro-supercapacitors are important on-chip micro-power sources for miniaturized electronic devices. Although the performance of micro-supercapacitors has been significantly advanced by fabricating nanostructured materials, developing thin-film manufacture technologies and device architectures, their power or energy densities remain far from those of electrolytic capacitors or lithium thin-film batteries. Here we demonstrate graphene-based in-plane interdigital micro-supercapacitors on arbitrary substrates. The resulting micro-supercapacitors deliver an area capacitance of 80.7 μF cm⁻² and a stack capacitance of 17.9 F cm⁻³. Further, they show a power density of 495 W cm⁻³ that is higher than electrolytic capacitors, and an energy density of 2.5 mWh cm⁻³ that is comparable to lithium thin-film batteries, in association with superior cycling stability. Such microdevices allow for operations at ultrahigh rate up to 1,000 V s⁻¹, three orders of magnitude higher than that of conventional supercapacitors. Micro-supercapacitors with an in-plane geometry have great promise for numerous miniaturized or flexible electronic applications.

  8. Effects of ultrasound energy density on the non-thermal pasteurization of chocolate milk beverage.

    PubMed

    Monteiro, Sara H M C; Silva, Eric Keven; Alvarenga, Verônica O; Moraes, Jeremias; Freitas, Mônica Q; Silva, Márcia C; Raices, Renata S L; Sant'Ana, Anderson S; Meireles, M Angela A; Cruz, Adriano G

    2018-04-01

    This study presents the emerging high-intensity ultrasound (HIUS) processing as a non-thermal alternative to high-temperature short-time pasteurization (HTST). Chocolate milk beverage (CMB) was subjected to different ultrasound energy densities (0.3-3.0 kJ/cm 3 ), as compared to HTST pasteurization (72 °C/15 s) aimed to verify the effect of the HIUS processing on the microbiological and physicochemical characteristics of the beverage. The application of HIUS at an energy density of 3.0 kJ/cm 3 was able to reduce 3.56 ± 0.02 logarithmic cycles in the total aerobic counts. In addition, the ultrasound energy density affected the physical properties of the beverage as the size distribution of fat globule and rheological behavior, as well as the chemical properties such as antioxidant activity, ACE inhibitory activity, fatty acid profile, and volatile profile. In general, the different energetic densities used as a non-thermal method of pasteurization of CMB were more effective when compared to the conventional pasteurization by HTST, since they improved the microbiological and physicochemical quality, besides preserving the bioactive compounds and the nutritional quality of the product. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Dynamic kinetic energy potential for orbital-free density functional theory.

    PubMed

    Neuhauser, Daniel; Pistinner, Shlomo; Coomar, Arunima; Zhang, Xu; Lu, Gang

    2011-04-14

    A dynamic kinetic energy potential (DKEP) is developed for time-dependent orbital-free (TDOF) density function theory applications. This potential is constructed to affect only the dynamical (ω ≠ 0) response of an orbital-free electronic system. It aims at making the orbital-free simulation respond in the same way as that of a noninteracting homogenous electron gas (HEG), as required by a correct kinetic energy, therefore enabling extension of the success of orbital-free density functional theory in the static case (e.g., for embedding and description of processes in bulk materials) to dynamic processes. The potential is constructed by expansions of terms, each of which necessitates only simple time evolution (concurrent with the TDOF evolution) and a spatial convolution at each time-step. With 14 such terms a good fit is obtained to the response of the HEG at a large range of frequencies, wavevectors, and densities. The method is demonstrated for simple jellium spheres, approximating Na(9)(+) and Na(65)(+) clusters. It is applicable both to small and large (even ultralarge) excitations and the results converge (i.e., do not blow up) as a function of time. An extension to iterative frequency-resolved extraction is briefly outlined, as well as possibly numerically simpler expansions. The approach could also be extended to fit, instead of the HEG susceptibility, either an experimental susceptibility or a theoretically derived one for a non-HEG system. The DKEP potential should be a powerful tool for embedding a dynamical system described by a more accurate method (such as time-dependent density functional theory, TDDFT) in a large background described by TDOF with a DKEP potential. The type of expansions used and envisioned should be useful for other approaches, such as memory functionals in TDDFT. Finally, an appendix details the formal connection between TDOF and TDDFT.

  10. Comparison of energy efficiency and power density in pressure retarded osmosis and reverse electrodialysis.

    PubMed

    Yip, Ngai Yin; Elimelech, Menachem

    2014-09-16

    Pressure retarded osmosis (PRO) and reverse electrodialysis (RED) are emerging membrane-based technologies that can convert chemical energy in salinity gradients to useful work. The two processes have intrinsically different working principles: controlled mixing in PRO is achieved by water permeation across salt-rejecting membranes, whereas RED is driven by ion flux across charged membranes. This study compares the energy efficiency and power density performance of PRO and RED with simulated technologically available membranes for natural, anthropogenic, and engineered salinity gradients (seawater-river water, desalination brine-wastewater, and synthetic hypersaline solutions, respectively). The analysis shows that PRO can achieve both greater efficiencies (54-56%) and higher power densities (2.4-38 W/m(2)) than RED (18-38% and 0.77-1.2 W/m(2)). The superior efficiency is attributed to the ability of PRO membranes to more effectively utilize the salinity difference to drive water permeation and better suppress the detrimental leakage of salts. On the other hand, the low conductivity of currently available ion exchange membranes impedes RED ion flux and, thus, constrains the power density. Both technologies exhibit a trade-off between efficiency and power density: employing more permeable but less selective membranes can enhance the power density, but undesired entropy production due to uncontrolled mixing increases and some efficiency is sacrificed. When the concentration difference is increased (i.e., natural → anthropogenic → engineered salinity gradients), PRO osmotic pressure difference rises proportionally but not so for RED Nernst potential, which has logarithmic dependence on the solution concentration. Because of this inherently different characteristic, RED is unable to take advantage of larger salinity gradients, whereas PRO power density is considerably enhanced. Additionally, high solution concentrations suppress the Donnan exclusion effect of the

  11. Comparison of Energy Efficiency and Power Density in Pressure Retarded Osmosis and Reverse Electrodialysis

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

    Yip, NY; Elimelech, M

    Pressure retarded osmosis (PRO) and reverse electrodialysis (RED) are emerging membrane-based technologies that can convert chemical energy in salinity gradients to useful work. The two processes have intrinsically different working principles: controlled mixing in PRO is achieved by water permeation across salt-rejecting membranes, whereas RED is driven by ion flux across charged membranes. This study compares the energy efficiency and power density performance of PRO and RED with simulated technologically available membranes for natural, anthropogenic, and engineered salinity gradients (seawater-river water, desalination brine-wastewater, and synthetic hypersaline solutions, respectively). The analysis shows that PRO can achieve both greater efficiencies (54-56%) andmore » higher power densities (2.4-38 W/m(2)) than RED (18-38% and 0.77-1.2 W/m(2)). The superior efficiency is attributed to the ability of PRO membranes to more effectively utilize the salinity difference to drive water permeation and better suppress the detrimental leakage of salts. On the other hand, the low conductivity of currently available ion exchange membranes impedes RED ion flux and, thus, constrains the power density. Both technologies exhibit a trade-off between efficiency and power density: employing more permeable but less selective membranes can enhance the power density, but undesired entropy production due to uncontrolled mixing increases and some efficiency is sacrificed. When the concentration difference is increased (i.e., natural -> anthropogenic -> engineered salinity gradients), PRO osmotic pressure difference rises proportionally but not so for RED Nernst potential, which has logarithmic dependence on the solution concentration. Because of this inherently different characteristic, RED is unable to take advantage of larger salinity gradients, whereas PRO power density is considerably enhanced. Additionally, high solution concentrations suppress the Donnan exclusion effect of

  12. A randomized controlled trial for obesity and binge eating disorder: Low-energy-density dietary counseling and cognitive behavioral therapy

    PubMed Central

    Masheb, Robin M.; Grilo, Carlos M.; Rolls, Barbara J.

    2011-01-01

    The present study examined a dietary approach – lowering energy density – for producing weight loss in obese patients with binge eating disorder (BED) who also received cognitive-behavioral therapy (CBT) to address binge eating. Fifty consecutive participants were randomly assigned to either a six-month individual treatment of CBT plus a low-Energy-Density diet (CBT+ED) or CBT plus General Nutrition counseling not related to weight loss (CBT+GN). Assessments occurred at six- and twelve-months. Eighty-six percent of participants completed treatment, and of these, 30% achieved at least a 5% weight loss with rates of binge remission ranging from 55–75%. The two treatments did not differ significantly in weight loss or binge remission outcomes. Significant improvements were found for key dietary and metabolic outcomes, with CBT+ED producing significantly better dietary outcomes on energy density, and fruit and vegetable consumption, than CBT+GN. Reductions in energy density and weight loss were significantly associated providing evidence for the specificity of the treatment effect. These favorable outcomes, and that CBT+ED was significantly better at reducing energy density and increasing fruit and vegetable consumption compared to CBT+GN, suggest that low-energy-density dietary counseling has promise as an effective method for enhancing CBT for obese individuals with BED. PMID:22005587

  13. High-temperature, high-power-density thermionic energy conversion for space

    NASA Technical Reports Server (NTRS)

    Morris, J. F.

    1977-01-01

    Theoretic converter outputs and efficiencies indicate the need to consider thermionic energy conversion (TEC) with greater power densities and higher temperatures within reasonable limits for space missions. Converter-output power density, voltage, and efficiency as functions of current density were determined for 1400-to-2000 K emitters with 725-to-1000 K collectors. The results encourage utilization of TEC with hotter-than-1650 K emitters and greater-than-6W sq cm outputs to attain better efficiencies, greater voltages, and higher waste-heat-rejection temperatures for multihundred-kilowatt space-power applications. For example, 1800 K, 30 A sq cm TEC operation for NEP compared with the 1650 K, 5 A/sq cm case should allow much lower radiation weights, substantially fewer and/or smaller emitter heat pipes, significantly reduced reactor and shield-related weights, many fewer converters and associated current-collecting bus bars, less power conditioning, and lower transmission losses. Integration of these effects should yield considerably reduced NEP specific weights.

  14. Using Density Functional Theory (DFT) for the Calculation of Atomization Energies

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    The calculation of atomization energies using density functional theory (DFT), using the B3LYP hybrid functional, is reported. The sensitivity of the atomization energy to basis set is studied and compared with the coupled cluster singles and doubles approach with a perturbational estimate of the triples (CCSD(T)). Merging the B3LYP results with the G2(MP2) approach is also considered. It is found that replacing the geometry optimization and calculation of the zero-point energy by the analogous quantities computed using the B3LYP approach reduces the maximum error in the G2(MP2) approach. In addition to the 55 G2 atomization energies, some results for transition metal containing systems will also be presented.

  15. Technological development of high energy density capacitors. [for spacecraft power supplies

    NASA Technical Reports Server (NTRS)

    Parker, R. D.

    1976-01-01

    A study was conducted to develop cylindrical wound metallized film capacitors rated 2 micron F 500 VDC that had energy densities greater than 0.1J/g. Polysulfone (PS) and polyvinylidene (PVF2) were selected as dielectrics. Single film PS capacitors of 0.2J/g (uncased) were made of 3.75 micron material. Single film PVF2 capacitors of 0.19J/g (uncased) were made of 6.0 micron material. Corona measurements were made at room temperature, and capacitance and dissipation factor measurements were made over the ranges 25 C to 125 C and 120 Hz to 100 kHz. Nineteen of twenty PVF2 components survived a 2500 hour dc plus ac life test. Failure analyses revealed most failures occurred at wrinkles, but some edge failures were also seen. A 0.989g case was designed. When the case was combined with the PVF2 component, a finished energy density of 0.11J/g was achieved.

  16. Poynting vector, energy densities, and pressure of collective transverse electromagnetic fluctuations in unmagnetized plasmas

    NASA Astrophysics Data System (ADS)

    Schlickeiser, R.

    2012-01-01

    A systematic calculation of the electromagnetic properties (Poynting vector, electromagnetic energy, and pressure) of the collective transverse fluctuations in unmagnetized plasmas with velocity-anisotropic plasma particle distributions functions is presented. Time-averaged electromagnetic properties for monochromatic weakly damped wave-like fluctuations and space-averaged electromagnetic properties for monochromatic weakly propagating and aperiodic fluctuations are calculated. For aperiodic fluctuations, the Poynting vector as well as the sum of the space-averaged electric and magnetic field energy densities vanish. However, aperiodic fluctuations possess a positive pressure given by its magnetic energy density. This finite pressure density pa of aperiodic fluctuations has important consequences for the dynamics of cosmic unmagnetized plasmas such as the intergalactic medium after reionization. Adopting the standard cosmological evolution model, we show that this additional pressure changes the expansion law of the universe leading to further deceleration. Negative vacuum pressure counterbalances this deceleration to an accelerating universe provided that the negative vacuum pressure is greater than 1.5pa, which we estimate to be of the order 2.1 . 10-16 dyn cm-2.

  17. L. V. Al'tshuler, and High Energy Density Research

    NASA Astrophysics Data System (ADS)

    Gibson, Carl H.; Krikorian, Nerses H.; Keeler, R. Norris

    2012-03-01

    Knowledge of high energy densities critical to cosmology and astrophysics was achieved and exchanged among a very few scientists at a time when science was even more constrained by political considerations that it is today. Resources for the early studies necessarily involved atomic weaponry. A history of L. V. Al'tshuler and some others in his science is given in cosmological context. In the beginning of cosmology and the Universe, negative Fortov-Planck1 pressures c7h-1G-2 of 4.6 10115 Pa are overcome by inertial-vortex anti-gravity (dark energy) pressures to achieve a turbulent big bang and the first turbulent combustion with power 1066 watts at the Kolmogorov-Planck scale 10-35 meters. The big bang event ceased when negative- pressure gluon-viscous-forces extracted 10100 kg of mass-energy from the vacuum to produce the observed fossil vorticity turbulence Universe and its inflation with power 10145 watts.

  18. On the feasibility of increasing the energy of laser-accelerated protons by using low-density targets

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

    Brantov, A. V., E-mail: brantov@lebedev.ru; Bychenkov, V. Yu., E-mail: bychenk@lebedev.ru

    2015-06-15

    Optimal regimes of proton acceleration in the interaction of short high-power laser pulses with thin foils and low-density targets are determined by means of 3D numerical simulation. It is demonstrated that the maximum proton energy can be increased by using low-density targets in which ions from the front surface of the target are accelerated most efficiently. It is shown using a particular example that, for the same laser pulse, the energy of protons accelerated from a low-density target can be increased by one-third as compared to a solid-state target.

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

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

  20. Ground state structure of high-energy-density polymeric carbon monoxide

    NASA Astrophysics Data System (ADS)

    Xia, Kang; Sun, Jian; Pickard, Chris J.; Klug, Dennis D.; Needs, Richard J.

    2017-04-01

    Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found to be a polymeric structure of P n a 21 symmetry rather than a molecular solid. This phase is formed from six-membered (four carbon + two oxygen) rings connected by C=C double bonds with two double-bonded oxygen atoms attached to each ring. Interestingly, the polymeric P n a 21 phase of CO has a much higher energy density than trinitrotoluene (TNT). On compression to about 7 GPa, P n a 21 is found to transform into another chainlike phase of C c symmetry which has similar ring units to P n a 21 . On compression to 12 GPa, it is energetically favorable for CO to polymerize into a purely single bonded C m c a phase, which is stable over a wide pressure range and transforms into the previously known C m c m phase at around 100 GPa. Thermodynamic stability of these structures was verified using calculations with different density functionals, including hybrid and van der Waals corrected functionals.

  1. Integration of high capacity materials into interdigitated mesostructured electrodes for high energy and high power density primary microbatteries

    NASA Astrophysics Data System (ADS)

    Pikul, James H.; Liu, Jinyun; Braun, Paul V.; King, William P.

    2016-05-01

    Microbatteries are increasingly important for powering electronic systems, however, the volumetric energy density of microbatteries lags behind that of conventional format batteries. This paper reports a primary microbattery with energy density 45.5 μWh cm-2 μm-1 and peak power 5300 μW cm-2 μm-1, enabled by the integration of large volume fractions of high capacity anode and cathode chemistry into porous micro-architectures. The interdigitated battery electrodes consist of a lithium metal anode and a mesoporous manganese oxide cathode. The key enabler of the high energy and power density is the integration of the high capacity manganese oxide conversion chemistry into a mesostructured high power interdigitated bicontinuous cathode architecture and an electrodeposited dense lithium metal anode. The resultant energy density is greater than previously reported three-dimensional microbatteries and is comparable to commercial conventional format lithium-based batteries.

  2. Attenuation of midinfrared free electron laser energy with eyewear

    NASA Astrophysics Data System (ADS)

    Joos, Karen M.; Gabella, William

    2005-04-01

    Purpose: To determine the attenuation of free electron laser (FEL) energy at several wavelengths through microscope objective and eyeglass lenses. Materials and Methods: The FEL at wavelengths of 2.3 um, 2.5 um, 3.0 um, 3.5 um, 4.0 um, 4.5 um, 5.0 um, 6.45 um, 7.0 um, 7.5 um, and 8.0 um was telescoped using a 500 mm nominal focal length lens and a 200 mm focal length lens. The beam had a final spot of about 3 mm and was passed through a 3 mm aperture and onto the 8 mm active area of a J9LP Molectron detector. The eyeglass sample was placed 3 cm in front of the detector. Energy readings were averaged over multiple pulses. Results: Attenuation varied greatly with wavelength and sample from a low attenuation of 0.46 dB, 90% transmission, for short wavelengths through common glass to greater than 60 dB attenuation (transmission at the detector noise level) for IR safe glass by Aura, Inc. Conclusion: Only the designated laser safety goggles effectively attenuate free electron laser energy at 2.3 um and 2.5 um. A microscope objective lens, polycarbonate, and silica glass eyewear is capable of effectively attenuating FEL energy at wavelengths greater than 4.5 um, but the polycarbonate lenses demonstrated material damage.

  3. High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions.

    PubMed

    Jeong, Seung Pyo; Renna, Lawrence A; Boyle, Connor J; Kwak, Hyunwook S; Harder, Edward; Damm, Wolfgang; Venkataraman, Dhandapani

    2017-12-19

    Energy densities of ~510 J/g (max: 698 J/g) have been achieved in azobenzene-based syndiotactic-rich poly(methacrylate) polymers. The processing solvent and polymer-solvent interactions are important to achieve morphologically optimal structures for high-energy density materials. This work shows that morphological changes of solid-state syndiotactic polymers, driven by different solvent processings play an important role in controlling the activation energy of Z-E isomerization as well as the shape of the DSC exotherm. Thus, this study shows the crucial role of processing solvents and thin film structure in achieving higher energy densities.

  4. 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.

  5. The Role of Resource Density on Energy Allocation in the Neotropical Termite Nasutitermes aff. coxipoensis (Termitidae: Nasutitermitinae).

    PubMed

    Cristaldo, P F; Almeida, C S; Cruz, N G; Ribeiro, E J M; Rocha, M L C; Santos, A A; Santana, A S; Araújo, A P A

    2018-06-01

    Organisms acquire energy from environment and must allocate it among different life traits (growth, maintenance and reproduction). Social insects must manage the energy allocation to various levels such as colony growth and caste functions. Here, we addressed the question of whether resource density affects the energy allocation to the number of individuals and caste functions as well as nest's growth rate in the Neotropical termite Nasutitermes aff. coxipoensis (Homgren) (Termitidae: Nasutitermitinae). In a manipulative field experiment, colonies of N. aff. coxipoensis, with known volume, were maintained in plots with three different resource's density (0.32, 0.64 and 1.92 baits/m 2 ) over 3 months. After this period, the number of individuals as well as the caste identity and nest volume were measured. Surprisingly, our results showed that colonies reared in the extremes of resource's density (0.32 and 1.92 baits/m 2 ) produced a higher number of individuals compared with colonies reared with intermediate resource density (0. 64 baits/m 2 ). The mean number of workers increased linearly with resource density; however, the average number of immature was higher in colonies reared with 0.32 baits/m 2 compared with colonies reared with 0.64 and 1.92 baits/m 2 . No significant differences of resource density were observed in the mean number of soldiers, worker/soldier ratio as well as in the nest's growth rate. In conclusion, the resource's density seems to play an important role in determining the investment of energy in the number of individuals and caste in N. aff. coxipoensis colonies.

  6. Neutron-proton effective mass splitting in terms of symmetry energy and its density slope

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

    Chakraborty, S.; Sahoo, B.; Sahoo, S., E-mail: sukadevsahoo@yahoo.com

    2015-01-15

    Using a simple density-dependent finite-range effective interaction having Yukawa form, the density dependence of isoscalar and isovector effective masses is studied. The isovector effective mass is found to be different for different pairs of like and unlike nucleons. Using HVH theorem, the neutron-proton effective mass splitting is represented in terms of symmetry energy and its density slope. It is again observed that the neutron-proton effective mass splitting has got a positive value when isoscalar effective mass is greater than the isovector effective mass and has a negative value for the opposite case. Furthermore, the neutron-proton effective mass splitting is foundmore » to have a linear dependence on asymmetry β. The second-order symmetry potential has a vital role in the determination of density slope of symmetry energy but it does not have any contribution on neutron-proton effective mass splitting. The finite-range effective interaction is compared with the SLy2, SKM, f{sub −}, f{sub 0}, and f{sub +} forms of interactions.« less

  7. Altered Right Ventricular Kinetic Energy Work Density and Viscous Energy Dissipation in Patients with Pulmonary Arterial Hypertension: A Pilot Study Using 4D Flow MRI.

    PubMed

    Han, Q Joyce; Witschey, Walter R T; Fang-Yen, Christopher M; Arkles, Jeffrey S; Barker, Alex J; Forfia, Paul R; Han, Yuchi

    2015-01-01

    Right ventricular (RV) function has increasingly being recognized as an important predictor for morbidity and mortality in patients with pulmonary arterial hypertension (PAH). The increased RV after-load increase RV work in PAH. We used time-resolved 3D phase contrast MRI (4D flow MRI) to derive RV kinetic energy (KE) work density and energy loss in the pulmonary artery (PA) to better characterize RV work in PAH patients. 4D flow and standard cardiac cine images were obtained in ten functional class I/II patients with PAH and nine healthy subjects. For each individual, we calculated the RV KE work density and the amount of viscous dissipation in the PA. PAH patients had alterations in flow patterns in both the RV and the PA compared to healthy subjects. PAH subjects had significantly higher RV KE work density than healthy subjects (94.7±33.7 mJ/mL vs. 61.7±14.8 mJ/mL, p = 0.007) as well as a much greater percent PA energy loss (21.1±6.4% vs. 2.2±1.3%, p = 0.0001) throughout the cardiac cycle. RV KE work density and percent PA energy loss had mild and moderate correlations with RV ejection fraction. This study has quantified two kinetic energy metrics to assess RV function using 4D flow. RV KE work density and PA viscous energy loss not only distinguished healthy subjects from patients, but also provided distinction amongst PAH patients. These metrics hold promise as imaging markers for RV function.

  8. Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

    DOE PAGES

    Tait, E. W.; Ratcliff, L. E.; Payne, M. C.; ...

    2016-04-20

    Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree withmore » those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. As a result, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable.« less

  9. Predicting materials for sustainable energy sources: The key role of density functional theory

    NASA Astrophysics Data System (ADS)

    Galli, Giulia

    Climate change and the related need for sustainable energy sources replacing fossil fuels are pressing societal problems. The development of advanced materials is widely recognized as one of the key elements for new technologies that are required to achieve a sustainable environment and provide clean and adequate energy for our planet. We discuss the key role played by Density Functional Theory, and its implementations in high performance computer codes, in understanding, predicting and designing materials for energy applications.

  10. Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions

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

    Changlani, Hitesh J.; Zheng, Huihuo; Wagner, Lucas K.

    2015-09-14

    We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body density matrices and energies of the ground and excited states, and thus we refer to the method as ab initio density matrix based downfolding. For benzene (a finite system), we find good agreement with experimentally available energy gaps without using any experimental inputs. For graphene, a two dimensional solid (extended system) with periodic boundary conditions, we find the effective on-site Hubbard U{sup ∗}/t tomore » be 1.3 ± 0.2, comparable to a recent estimate based on the constrained random phase approximation. For molecules, such parameterizations enable calculation of excited states that are usually not accessible within ground state approaches. For solids, the effective Hamiltonian enables large-scale calculations using techniques designed for lattice models.« less

  11. Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

    PubMed

    Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

    2016-12-14

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

  12. Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

  13. Polymeric CO: A new class of High Energy Density Material

    NASA Astrophysics Data System (ADS)

    Lipp, Magnus

    2005-03-01

    Covalently bonded extended phases of molecular solids made of first- and second-row elements at high pressures are a new class of material with advanced optical, mechanical and energetic properties. The existence of such extended solids has recently been demonstrated using diamond anvil cells in several systems, including N2, CO2, and CO. However, the microscopic quantities produced at the formidable high-pressure/temperature conditions have limited the characterization of their predicted novel properties including high-energy content. Here we present the first experimental evidence that these extended low-Z solids are indeed high energy density materials via milligram-scale high-pressure synthesis, recovery and characterization of polymeric CO (p-CO). This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.

  14. Measurements of ion stopping around the Bragg peak in high-energy-density plasmas

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

    Frenje, J. A.; Grabowski, P. E.; Li, C. K.

    2015-11-09

    For the first time, quantitative measurements of ion stopping at energies about the Bragg peak (or peak ion stopping, which occurs at an ion velocity comparable to the average thermal electron velocity), and its dependence on electron temperature (T e) and electron number density (n e) in the range of 0.5 – 4.0 keV and 3 × 10 22 – 3 × 10 23 cm -3 have been conducted, respectively. It is experimentally demonstrated that the position and amplitude of the Bragg peak varies strongly with T e with n e. As a result, the importance of including quantum diffractionmore » is also demonstrated in the stopping-power modeling of High-Energy-Density Plasmas.« less

  15. Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

    NASA Astrophysics Data System (ADS)

    Cancio, Antonio C.; Redd, Jeremy J.

    2017-03-01

    The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.

  16. Independent control of electron energy and density using a rotating magnetic field in inductively coupled plasmas

    NASA Astrophysics Data System (ADS)

    Kondo, Takahiro; Ohta, Masayuki; Ito, Tsuyohito; Okada, Shigefumi

    2013-09-01

    Effects of a rotating magnetic field (RMF) on the electron energy distribution function (EEDF) and on the electron density are investigated with the aim of controlling the radical composition of inductively coupled plasmas. By adjusting the RMF frequency and generation power, the desired electron density and electron energy shift are obtained. Consequently, the amount and fraction of high-energy electrons, which are mostly responsible for direct dissociation processes of raw molecules, will be controlled externally. This controllability, with no electrode exposed to plasma, will enable us to control radical components and their flux during plasma processing.

  17. Pulse Power Capability Of High Energy Density Capacitors Based on a New Dielectric Material

    NASA Technical Reports Server (NTRS)

    Winsor, Paul; Scholz, Tim; Hudis, Martin; Slenes, Kirk M.

    1999-01-01

    A new dielectric composite consisting of a polymer coated onto a high-density metallized Kraft has been developed for application in high energy density pulse power capacitors. The polymer coating is custom formulated for high dielectric constant and strength with minimum dielectric losses. The composite can be wound and processed using conventional wound film capacitor manufacturing equipment. This new system has the potential to achieve 2 to 3 J/cu cm whole capacitor energy density at voltage levels above 3.0 kV, and can maintain its mechanical properties to temperatures above 150 C. The technical and manufacturing development of the composite material and fabrication into capacitors are summarized in this paper. Energy discharge testing, including capacitance and charge-discharge efficiency at normal and elevated temperatures, as well as DC life testing were performed on capacitors manufactured using this material. TPL (Albuquerque, NM) has developed the material and Aerovox (New Bedford, MA) has used the material to build and test actual capacitors. The results of the testing will focus on pulse power applications specifically those found in electro-magnetic armor and guns, high power microwave sources and defibrillators.

  18. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models

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

    Sundararaman, Ravishankar; Gunceler, Deniz; Arias, T. A.

    2014-10-07

    Continuum solvation models enable efficient first principles calculations of chemical reactions in solution, but require extensive parametrization and fitting for each solvent and class of solute systems. Here, we examine the assumptions of continuum solvation models in detail and replace empirical terms with physical models in order to construct a minimally-empirical solvation model. Specifically, we derive solvent radii from the nonlocal dielectric response of the solvent from ab initio calculations, construct a closed-form and parameter-free weighted-density approximation for the free energy of the cavity formation, and employ a pair-potential approximation for the dispersion energy. We show that the resulting modelmore » with a single solvent-independent parameter: the electron density threshold (n c), and a single solvent-dependent parameter: the dispersion scale factor (s 6), reproduces solvation energies of organic molecules in water, chloroform, and carbon tetrachloride with RMS errors of 1.1, 0.6 and 0.5 kcal/mol, respectively. We additionally show that fitting the solvent-dependent s 6 parameter to the solvation energy of a single non-polar molecule does not substantially increase these errors. Parametrization of this model for other solvents, therefore, requires minimal effort and is possible without extensive databases of experimental solvation free energies.« less

  19. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models

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

    Sundararaman, Ravishankar; Gunceler, Deniz; Arias, T. A.

    2014-10-07

    Continuum solvation models enable efficient first principles calculations of chemical reactions in solution, but require extensive parametrization and fitting for each solvent and class of solute systems. Here, we examine the assumptions of continuum solvation models in detail and replace empirical terms with physical models in order to construct a minimally-empirical solvation model. Specifically, we derive solvent radii from the nonlocal dielectric response of the solvent from ab initio calculations, construct a closed-form and parameter-free weighted-density approximation for the free energy of the cavity formation, and employ a pair-potential approximation for the dispersion energy. We show that the resulting modelmore » with a single solvent-independent parameter: the electron density threshold (n{sub c}), and a single solvent-dependent parameter: the dispersion scale factor (s{sub 6}), reproduces solvation energies of organic molecules in water, chloroform, and carbon tetrachloride with RMS errors of 1.1, 0.6 and 0.5 kcal/mol, respectively. We additionally show that fitting the solvent-dependent s{sub 6} parameter to the solvation energy of a single non-polar molecule does not substantially increase these errors. Parametrization of this model for other solvents, therefore, requires minimal effort and is possible without extensive databases of experimental solvation free energies.« less

  20. High Energy Storage Density and Impedance Response of PLZT2/95/5 Antiferroelectric Ceramics

    PubMed Central

    Li, Bi; Liu, Qiuxiang; Tang, Xingui; Zhang, Tianfu; Jiang, Yanping; Li, Wenhua; Luo, Jie

    2017-01-01

    (Pb0.97La0.02)(Zr0.95Ti0.05)O3 (PLZT2/95/5) ceramics were successfully prepared via a solid-state reaction route. The dielectric properties were investigated in the temperature region of 26–650 °C. The dielectric diffuse anomaly in the dielectric relaxation was found in the high temperature region of 600–650 °C with increasing the measuring frequency, which was related to the dynamic thermal process of ionized oxygen vacancies generated in the high temperature. Two phase transition points were detected during heating, which were found to coexist from 150 to 200 °C. Electric field induced ferroelectric to antiferroelectric phase transition behavior of the (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics was investigated in this work with an emphasis on energy storage properties. A recoverable energy-storage density of 0.83 J/cm3 and efficiency of 70% was obtained in (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics at 55 kV/cm. Based on these results, (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics with a large recoverable energy-storage density could be a potential candidate for the applications in high energy-storage density ceramic capacitors. PMID:28772503

  1. High Energy Storage Density and Impedance Response of PLZT2/95/5 Antiferroelectric Ceramics.

    PubMed

    Li, Bi; Liu, Qiuxiang; Tang, Xingui; Zhang, Tianfu; Jiang, Yanping; Li, Wenhua; Luo, Jie

    2017-02-08

    (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ (PLZT2/95/5) ceramics were successfully prepared via a solid-state reaction route. The dielectric properties were investigated in the temperature region of 26-650 °C. The dielectric diffuse anomaly in the dielectric relaxation was found in the high temperature region of 600-650 °C with increasing the measuring frequency, which was related to the dynamic thermal process of ionized oxygen vacancies generated in the high temperature. Two phase transition points were detected during heating, which were found to coexist from 150 to 200 °C. Electric field induced ferroelectric to antiferroelectric phase transition behavior of the (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics was investigated in this work with an emphasis on energy storage properties. A recoverable energy-storage density of 0.83 J/cm³ and efficiency of 70% was obtained in (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics at 55 kV/cm. Based on these results, (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics with a large recoverable energy-storage density could be a potential candidate for the applications in high energy-storage density ceramic capacitors.

  2. Observations of shear flows in high-energy-density plasmas

    NASA Astrophysics Data System (ADS)

    Harding, Eric C.

    The research discussed in this thesis represents work toward the demonstration of experimental designs for creating a Kelvin-Helmholtz (KH) unstable shear layer in a high-energy-density (HED) plasma. Such plasmas are formed by irradiating materials with several kilo-Joules of laser light over a few nanoseconds, and are defined as having an internal pressure greater than one-million atmospheres. Similar plasmas exist in laboratory fusion experiments and in the astrophysical environment. The KH instability is a fundamental fluid instability that arises when strong velocity gradients exist at the interface between two fluids. The KH instability is important because it drives the mixing of fluids and initiates the transition to turbulence in the flow. Until now, the evolution of the KH instability has remained relatively unexplored in the HED regime This thesis presents the observations and analysis of two novel experiments carried out using two separate laser facilities. The first experiment used 1.4 kJ from the Nike laser to generate a supersonic flow of Al plasma over a low-density, rippled foam surface. The Al flow interacted with the foam and created distinct features that resulted from compressible effects. In this experiment there is little evidence of the KH instability. Nevertheless, this experimental design has perhaps pioneered a new method for generating a supersonic shear flow that has the potential to produce the KH instability if more laser energy is applied. The second experiment was performed on the Omega laser. In this case 4.3 kJ of laser energy drove a blast wave along a rippled foam/plastic interface. In response to the vorticity deposited and the shear flow established by the blast wave, the interface rolls up into large vorticies characteristic of the KH instability. The Omega experiment was the first HED experiment to capture the evolution of the KH instability.

  3. Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs

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

    Reimund, Kevin K.; McCutcheon, Jeffrey R.; Wilson, Aaron D.

    A general method was developed for estimating the volumetric energy efficiency of pressure retarded osmosis via pressure-volume analysis of a membrane process. The resulting model requires only the osmotic pressure, π, and mass fraction, w, of water in the concentrated and dilute feed solutions to estimate the maximum achievable specific energy density, uu, as a function of operating pressure. The model is independent of any membrane or module properties. This method utilizes equilibrium analysis to specify the volumetric mixing fraction of concentrated and dilute solution as a function of operating pressure, and provides results for the total volumetric energy densitymore » of similar order to more complex models for the mixing of seawater and riverwater. Within the framework of this analysis, the total volumetric energy density is maximized, for an idealized case, when the operating pressure is π/(1+√w⁻¹), which is lower than the maximum power density operating pressure, Δπ/2, derived elsewhere, and is a function of the solute osmotic pressure at a given mass fraction. It was also found that a minimum 1.45 kmol of ideal solute is required to produce 1 kWh of energy while a system operating at “maximum power density operating pressure” requires at least 2.9 kmol. Utilizing this methodology, it is possible to examine the effects of volumetric solution cost, operation of a module at various pressure, and operation of a constant pressure module with various feed.« less

  4. High-density capacitors pack more energy in a smaller space

    NASA Astrophysics Data System (ADS)

    Lerner, E. J.

    1985-05-01

    Attention is given to the design features and performance characteristics of novel high density capacitor banks which furnish a tenfold energy increase over conventional capacitors, to values of the order of 100 J/kg or 0.28 J/cu cm. The essential feature of the new design is the replacement of plastic dielectric films interleaved with oil-soaked films by a paperless film system that uses perfluorocarbon rather than oil.

  5. Stimulus-Responsive Micro-Supercapacitors with Ultrahigh Energy Density and Reversible Electrochromic Window.

    PubMed

    Zhang, Panpan; Zhu, Feng; Wang, Faxing; Wang, Jinhui; Dong, Renhao; Zhuang, Xiaodong; Schmidt, Oliver G; Feng, Xinliang

    2017-02-01

    Stimulus-responsive micro-supercapacitors (SR-MSCs) with ultrahigh volumetric energy density and reversible electrochromic effect are successfully fabricated by employing a vanadium pentoxide and electrochemical exfoliated graphene-based hybrid nanopaper and viologen as electrode and stimulus-responsive material, respectively. The fabricated high-performance SR-MSCs offer new opportunities for intuitively observing the working state of energy devices without the aid of extra equipment and techniques. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    NASA Astrophysics Data System (ADS)

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

    2018-03-01

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

  7. 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.

  8. Improvement in Fruit and Vegetable Consumption Associated with More Favorable Energy Density and Nutrient and Food Group Intake, but not Kilocalories.

    PubMed

    Thompson, Debbe; Ferry, Robert J; Cullen, Karen W; Liu, Yan

    2016-09-01

    Children generally do not consume adequate amounts of fruits and vegetables (F/V). Eating more F/V can improve energy density and overall diet quality. Our aim was to investigate whether improvements in F/V consumption were associated with improvements in energy density, total calories, and dietary components related to F/V. We performed secondary analyses of dietary data from a successful four-group randomized controlled trial promoting F/V. Data were collected at baseline, immediately after gameplay, and 3 months post intervention. Preadolescent child-parent dyads (n=400) were recruited. Eligibility criteria were 4th- or 5th-grade child (approximately 9 to 11 years old) with Internet access and a parent willing to participate in the intervention. Complete dietary data were collected on 387 of the 400 child participants. The videogame was available online on a secure, password-protected website. Dietary intake was assessed with three unannounced dietary recalls collected at each data-collection period via telephone by trained staff using Nutrition Data System for Research software. Energy density and F/V, nutrient, and food consumption were calculated. A 4×3 (group by time) repeated measures analysis of covariance with mixed-effect linear models was used. Covariates included child's sex, race/ethnicity, and total energy intake as well as parent's age and household education. Energy was excluded as a covariate in the energy density and energy models. Significant changes occurred in energy density. A significant interaction (group by time) was observed (F6, 515=2.40; P<0.05) in energy density from food only, while a significant time effect was observed for energy density from all foods and beverages (F2, 388=13.75; P<0.0001). Desirable changes were also observed in F/V-related dietary components. Increasing F/V consumption improved energy density and diet quality considerably in preadolescent children. Copyright © 2016 Academy of Nutrition and Dietetics. Published

  9. Combined high-power ultrasound and high-pressure homogenization nanoemulsification: The effect of energy density, oil content and emulsifier type and content.

    PubMed

    Calligaris, Sonia; Plazzotta, Stella; Valoppi, Fabio; Anese, Monica

    2018-05-01

    Combinations of ultrasound (US) and high-pressure homogenization (HPH) at low-medium energy densities were studied as alternative processes to individual US and HPH to produce Tween 80 and whey protein stabilized nanoemulsions, while reducing the energy input. To this aim, preliminary trials were performed to compare emulsification efficacy of single and combined HPH and US treatments delivering low-medium energy densities. Results highlighted the efficacy of US-HPH combined process in reducing the energy required to produce nanoemulsions stabilized with both Tween 80 and whey protein isolate. Subsequently, the effect of emulsifier content (1-3% w/w), oil amount (10-20% w/w) and energy density (47-175 MJ/m 3 ) on emulsion mean particle diameter was evaluated by means of a central composite design. Particles of 140-190 nm were obtained by delivering 175 MJ/m 3 energy density at emulsions containing 3% (w/w) Tween 80 and 10% (w/w) oil. In the case of whey protein isolate stabilized emulsions, a reduced emulsifier amount (1% w/w) and intermediate energy density (120 MJ/m 3 ) allowed a minimum droplet size around 220-250 nm to be achieved. Results showed that, in both cases, at least 50% of the energy density should be delivered by HPH to obtain the minimum particle diameter. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. A density functional for core-valence correlation energy

    NASA Astrophysics Data System (ADS)

    Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A.

    2015-12-01

    A density functional, ɛCV-DFT(ρc, ρv), describing the core-valence correlation energy has been constructed as a linear combination of ɛLY Pcorr(ρc), ɛV WN5corr(ρc, ρv), ɛPBEcorr(ρc, ρv), ɛSlaterex(ρc, ρv), ɛHCTHex(ρc, ρv), ɛHFex(ρc, ρv), and F CV -DFT (" separators=" N i , Z i ) , a function of the nuclear charges. This functional, with 6 adjustable parameters, reproduces (±0.27 kcal/mol rms error) a benchmark set of 194 chemical energy changes including 9 electron affinities, 18 ionization potentials, and 167 total atomization energies covering the first- and second-rows of the periodic table. This is almost twice the rms error (±0.16 kcal/mol) obtained with CCSD(T)/MTsmall calculations, but less than half the rms error (±0.65 kcal/mol) obtained with MP2/GTlargeXP calculations, and somewhat smaller than the rms error (±0.39 kcal/mol) obtained with CCSD/MTsmall calculations. The largest positive and negative errors from ɛCV-DFT(ρc, ρv) were 0.88 and -0.75 kcal/mol with the set of 194 core-valence energy changes ranging from +3.76 kcal/mol for the total atomization energy of propyne to -9.05 kcal/mol for the double ionization of Mg. Evaluation of the ɛCV-DFT(ρc, ρv) functional requires less time than a single SCF iteration, and the accuracy is adequate for any model chemistry based on the CCSD(T) level of theory.

  11. Tube-Super Dielectric Materials: Electrostatic Capacitors with Energy Density Greater than 200 J·cm−3

    PubMed Central

    Cortes, Francisco Javier Quintero; Phillips, Jonathan

    2015-01-01

    The construction and performance of a second generation of super dielectric material based electrostatic capacitors (EC), with energy density greater than 200 J·cm−3, which rival the best reported energy density of electric double layer capacitors (EDLC), also known as supercapacitors, are reported. The first generation super dielectric materials (SDM) are multi-material mixtures with dielectric constants greater than 1.0 × 105, composed of a porous, electrically insulating powder filled with a polarizable, ion-containing liquid. Second-generation SDMs (TSDM), introduced here, are anodic titania nanotube arrays filled with concentrated aqueous salt solutions. Capacitors using TiO2 based TSDM were found to have dielectric constants at ~0 Hz greater than 107 in all cases, a maximum operating voltage of greater than 2 volts and remarkable energy density that surpasses the highest previously reported for EC capacitors by approximately one order of magnitude. A simple model based on the classic ponderable media model was shown to be largely consistent with data from nine EC type capacitors employing TSDM. PMID:28793561

  12. Tube-Super Dielectric Materials: Electrostatic Capacitors with Energy Density Greater than 200 J·cm-3.

    PubMed

    Cortes, Francisco Javier Quintero; Phillips, Jonathan

    2015-09-17

    The construction and performance of a second generation of super dielectric material based electrostatic capacitors (EC), with energy density greater than 200 J·cm - ³, which rival the best reported energy density of electric double layer capacitors (EDLC), also known as supercapacitors, are reported. The first generation super dielectric materials (SDM) are multi-material mixtures with dielectric constants greater than 1.0 × 10⁵, composed of a porous, electrically insulating powder filled with a polarizable, ion-containing liquid. Second-generation SDMs (TSDM), introduced here, are anodic titania nanotube arrays filled with concentrated aqueous salt solutions. Capacitors using TiO₂ based TSDM were found to have dielectric constants at ~0 Hz greater than 10⁷ in all cases, a maximum operating voltage of greater than 2 volts and remarkable energy density that surpasses the highest previously reported for EC capacitors by approximately one order of magnitude. A simple model based on the classic ponderable media model was shown to be largely consistent with data from nine EC type capacitors employing TSDM.

  13. The high-energy-density counterpropagating shear experiment and turbulent self-heating

    DOE PAGES

    Doss, F. W.; Fincke, J. R.; Loomis, E. N.; ...

    2013-12-06

    The counterpropagating shear experiment has previously demonstrated the ability to create regions of shockdriven shear, balanced symmetrically in pressure and experiencing minimal net drift. This allows for the creation of a high-Mach-number high-energy-density shear environment. New data from the counterpropagating shear campaign is presented, and both hydrocode modeling and theoretical analysis in the context of a Reynolds-averaged-Navier-Stokes model suggest turbulent dissipation of energy from the supersonic flow bounding the layer is a significant driver in its expansion. A theoretical minimum shear flow Mach number threshold is suggested for substantial thermal-turbulence coupling.

  14. Automotive battery energy density — past, present and future

    NASA Astrophysics Data System (ADS)

    Peters, K.

    Energy and power densities of automotive batteries at engine starting rates have doubled over the past twenty years. Most recent improvements can be credited to the use of both very thin plates with optimized grid design and low-resistance polyethylene separators with a thin backweb and a reduced rib height. Opportunities for further improvements using the same design approach and similar processing techniques are limited. The effect of some recent innovative developments on weight reduction and performance improvement are reviewed, together with possible changes to the electrical system of vehicles.

  15. Methodological accuracy of image-based electron density assessment using dual-energy computed tomography.

    PubMed

    Möhler, Christian; Wohlfahrt, Patrick; Richter, Christian; Greilich, Steffen

    2017-06-01

    Electron density is the most important tissue property influencing photon and ion dose distributions in radiotherapy patients. Dual-energy computed tomography (DECT) enables the determination of electron density by combining the information on photon attenuation obtained at two different effective x-ray energy spectra. Most algorithms suggested so far use the CT numbers provided after image reconstruction as input parameters, i.e., are imaged-based. To explore the accuracy that can be achieved with these approaches, we quantify the intrinsic methodological and calibration uncertainty of the seemingly simplest approach. In the studied approach, electron density is calculated with a one-parametric linear superposition ('alpha blending') of the two DECT images, which is shown to be equivalent to an affine relation between the photon attenuation cross sections of the two x-ray energy spectra. We propose to use the latter relation for empirical calibration of the spectrum-dependent blending parameter. For a conclusive assessment of the electron density uncertainty, we chose to isolate the purely methodological uncertainty component from CT-related effects such as noise and beam hardening. Analyzing calculated spectrally weighted attenuation coefficients, we find universal applicability of the investigated approach to arbitrary mixtures of human tissue with an upper limit of the methodological uncertainty component of 0.2%, excluding high-Z elements such as iodine. The proposed calibration procedure is bias-free and straightforward to perform using standard equipment. Testing the calibration on five published data sets, we obtain very small differences in the calibration result in spite of different experimental setups and CT protocols used. Employing a general calibration per scanner type and voltage combination is thus conceivable. Given the high suitability for clinical application of the alpha-blending approach in combination with a very small methodological

  16. 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.

  17. Reduced energy density of close-up diets decrease ruminal pH and increase concentration of volatile fatty acids postpartum in Holstein cows.

    PubMed

    Huang, Wenming; Tian, Yujia; Li, Shengli; Wu, Zhaohai; Cao, Zhijun

    2017-11-01

    The objective of this study was to determine the effect of reduced energy density of close-up diets on ruminal fermentation parameters in transition cows. Fourteen Holstein dry cows were blocked and assigned randomly to three groups fed a high energy density diet (HD, 1.62 Mcal of net energy for lactation (NE L )/kg dry matter (DM)), or a middle energy density diet (MD, 1.47 Mcal NE L /kg DM), or a low energy density diet (LD, 1.30 Mcal NE L /kg DM) prepartum, and were fed the same diet postpartum. The reduced energy density diets decreased the average dry matter intake (DMI) prepartum and tended to increase the DMI postpartum. The ruminal pH of the LD group was significantly higher prepartum and lower during the first week of lactation compared with the other two groups. The reduced energy density diet depressed the average ruminal concentration of propionate and butyrate prepartum, and increased the average concentration of total volatile fatty acids (VFA) postpartum. The LD group had higher populations of Butyrivibrio fibrisolvens and Ruminococcus flavefaciens relative to HD and MD groups on 7 days in milk. In conclusion, the cows fed reduced energy density diet prepartum had higher VFA concentration, but were more susceptible to subacute ruminal acidosis postpartum. © 2017 Japanese Society of Animal Science.

  18. Co(OH)2 nanosheet-decorated graphene-CNT composite for supercapacitors of high energy density.

    PubMed

    Cheng, Qian; Tang, Jie; Shinya, Norio; Qin, Lu-Chang

    2014-02-01

    A composite of graphene and carbon nanotubes has been synthesized and characterized for application as supercapacitor electrodes. By coating the nanostructured active material of Co(OH) 2 onto one electrode, the asymmetric supercapacitor has exhibited a high specific capacitance of 310 F g -1 , energy density of 172 Wh kg -1 and maximum power density of 198 kW kg -1 in ionic liquid electrolyte EMI-TFSI.

  19. [Bis(imidazolyl)-BH₂]+[bis-(triazolyl)-BH₂]- Ionic Liquids with High Density and Energy Capacity.

    PubMed

    Jiao, Nianming; Li, Hao; Zhang, Yanqiang; Liu, Long; Zhang, Suojiang

    2018-05-15

    [Bis(imidazolyl)-BH₂]+[bis(triazolyl)-BH₂]- and [bis- (imidazolyl)-BH₂]+[tris(triazolyl)-BH]- were first synthesized, whose cations and anions were all functionalized with B-H groups and azoles. As B-H groups contributing to hypergolic activity and azole groups improving the energy outputs, the resulting ionic liquids exhibited ignition delay time as low as 20 ms and energy output as high as 461.1 kJ mol-1. Besides, densities (1.07-1.22 g∙cm-3) and density-specific impulse (ρIsp, ~ 360 s g cm-3) reach to relatively high level. It has a great promising for those ionic liquids as sustainable rocket fuels. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Self-assembling graphene-anthraquinone-2-sulphonate supramolecular nanostructures with enhanced energy density for supercapacitors

    NASA Astrophysics Data System (ADS)

    Gao, Lifang; Gan, Shiyu; Li, Hongyan; Han, Dongxue; Li, Fenghua; Bao, Yu; Niu, Li

    2017-07-01

    Boosting the energy density of capacitive energy storage devices remains a crucial issue for facilitating applications. Herein, we report a graphene-anthraquinone supramolecular nanostructure by self-assembly for supercapacitors. The sulfonated anthraquinone exhibits high water solubility, a π-conjugated structure and redox active features, which not only serve as a spacer to interact with and stabilize graphene but also introduce extra pseudocapacitance contributions. The formed nest-like three-dimensional (3D) nanostructure with further hydrothermal treatment enhances the accessibility of ion transfer and exposes the redox-active quinone groups in the electrolytes. A fabricated all-solid-state flexible symmetric device delivers a high specific capacitance of 398.5 F g-1 at 1 A g-1 (1.5 times higher than graphene), superior energy density (52.24 Wh kg-1 at about 1 kW kg-1) and good stability (82% capacitance retention after 10 000 cycles).

  1. Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory.

    PubMed

    Tran, Fabien; Blaha, Peter

    2017-05-04

    Recently, exchange-correlation potentials in density functional theory were developed with the goal of providing improved band gaps in solids. Among them, the semilocal potentials are particularly interesting for large systems since they lead to calculations that are much faster than with hybrid functionals or methods like GW. We present an exhaustive comparison of semilocal exchange-correlation potentials for band gap calculations on a large test set of solids, and particular attention is paid to the potential HLE16 proposed by Verma and Truhlar. It is shown that the most accurate potential is the modified Becke-Johnson potential, which, most noticeably, is much more accurate than all other semilocal potentials for strongly correlated systems. This can be attributed to its additional dependence on the kinetic energy density. It is also shown that the modified Becke-Johnson potential is at least as accurate as the hybrid functionals and more reliable for solids with large band gaps.

  2. Enhanced von Weizsäcker Wang-Govind-Carter kinetic energy density functional for semiconductors

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

    Shin, Ilgyou; Carter, Emily A., E-mail: eac@princeton.edu

    2014-05-14

    We propose a new form of orbital-free (OF) kinetic energy density functional (KEDF) for semiconductors that is based on the Wang-Govind-Carter (WGC99) nonlocal KEDF. We enhance within the latter the semi-local von Weizsäcker KEDF term, which is exact for a single orbital. The enhancement factor we introduce is related to the extent to which the electron density is localized. The accuracy of the new KEDF is benchmarked against Kohn-Sham density functional theory (KSDFT) by comparing predicted energy differences between phases, equilibrium volumes, and bulk moduli for various semiconductors, along with metal-insulator phase transition pressures. We also compare point defect andmore » (100) surface energies in silicon for a broad test of its applicability. This new KEDF accurately reproduces the exact non-interacting kinetic energy of KSDFT with only one additional adjustable parameter beyond the three parameters in the WGC99 KEDF; it exhibits good transferability between semiconducting to metallic silicon phases and between various III-V semiconductors without parameter adjustment. Overall, this KEDF is more accurate than previously proposed OF KEDFs (e.g., the Huang-Carter (HC) KEDF) for semiconductors, while the computational efficiency remains at the level of the WGC99 KEDF (several hundred times faster than the HC KEDF). This accurate, fast, and transferable new KEDF holds considerable promise for large-scale OFDFT simulations of metallic through semiconducting materials.« less

  3. Energy intake and dietary patterns in childhood and throughout adulthood and mammographic density: results from a British prospective cohort.

    PubMed

    Mishra, Gita D; dos Santos Silva, Isabel; McNaughton, Sarah A; Stephen, Alison; Kuh, Diana

    2011-02-01

    To examine the role of energy intake and dietary patterns in childhood and throughout adulthood on subsequent mammographic density. Prospective data were available from a cohort of 1161 British women followed up since their birth in 1946. Dietary intakes at age 4 years were determined by 24-hour recalls and during adulthood, average food consumed at ages 36 and 43 years by 5-day food records. Dietary patterns were determined by factor analysis. Associations between energy intake, dietary patterns, and percent breast density were investigated using regression analysis. During adulthood, energy intake was positively associated with percent breast density (adjusted regression coefficient [per SD) (95% CI): 0.12 (0.01, 0.23)]. The effect of the high fat and sugar dietary pattern remained similar when adjusted for total energy intake [0.06 (-0.01, 0.13)]. There was no evidence of an associations for the patterns low fat, high fiber pattern 0.03 (-0.04, 0.11); the alcohol and fish -0.02 (-0.13, 0.17); meat, potatoes, and vegetables -0.03 (-0.10, 0.04). No association was found for dietary pattern at age 4 and percent breast density. This study supports the hypothesis that overall energy intake during middle life is a determinant of subsequent mammographic breast density measured 15 years later.

  4. Increased energy density of the home-delivered lunch meal improves 24-hour nutrient intakes in older adults.

    PubMed

    Silver, Heidi J; Dietrich, Mary S; Castellanos, Victoria H

    2008-12-01

    As food intake declines with aging, older adults develop energy and nutrient inadequacies. It is important to design practical approaches to combat insufficient dietary intakes to decrease risk for acute and chronic diseases, illness, and injury. Manipulating the energy density of meals has improved energy intakes in institutional settings, but the effects on community-residing older adults who are at nutrition risk have not been investigated. The aim of this study was to determine whether enhancing the energy density of food items regularly served in a home-delivered meals program would increase lunch and 24-hour energy and nutrient intakes. In a randomized crossover counterbalanced design, 45 older adult Older American Act Nutrition Program participants received a regular and enhanced version of a lunch meal on alternate weeks. The types of foods, portion sizes (gram weight), and appearance of the lunch meal was held constant. Consumption of the enhanced meal increased average lunch energy intakes by 86% (P<0.001) and 24-hour energy intakes by 453 kcal (from 1,423.1+/-62.2 to 1,876.2+/-78.3 kcal, P<0.001). The 24-hour intakes of several key macronutrients and micronutrients also improved. These data suggest that altering the energy density of regularly served menu items is an effective strategy to improve dietary intakes of free-living older adults.

  5. Theory and High-Energy-Density Laser Experiments Relevant to Accretion Processes in Cataclysmic Variables

    NASA Astrophysics Data System (ADS)

    Krauland, Christine; Drake, R.; Loupias, B.; Falize, E.; Busschaert, C.; Ravasio, A.; Yurchak, R.; Pelka, A.; Koenig, M.; Kuranz, C. C.; Plewa, T.; Huntington, C. M.; Kaczala, D. N.; Klein, S.; Sweeney, R.; Villete, B.; Young, R.; Keiter, P. A.

    2012-05-01

    We present results from high-energy-density (HED) laboratory experiments that explore the contribution of radiative shock waves to the evolving dynamics of the cataclysmic variable (CV) systems in which they reside. CVs can be classified under two main categories, non-magnetic and magnetic. In the process of accretion, both types involve strongly radiating shocks that provide the main source of radiation in the binary systems. This radiation can cause varying structure to develop depending on the optical properties of the material on either side of the shock. The ability of high-intensity lasers to create large energy densities in targets of millimeter-scale volume makes it feasible to create similar radiative shocks in the laboratory. We provide an overview of both CV systems and their connection to the designed and executed laboratory experiments preformed on two laser facilities. Available data and accompanying simulations will likewise be shown. Funded by the NNSA-DS and SC-OFES Joint Prog. in High-Energy-Density Lab. Plasmas, by the Nat. Laser User Facility Prog. in NNSA-DS and by the Predictive Sci. Acad. Alliances Prog. in NNSA-ASC, under grant numbers are DE-FG52-09NA29548, DE-FG52-09NA29034, and DE-FC52-08NA28616.

  6. Descriptions of carbon isotopes within the energy density functional theory

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

    Ismail, Atef; Cheong, Lee Yen; Yahya, Noorhana

    2014-10-24

    Within the energy density functional (EDF) theory, the structure properties of Carbon isotopes are systematically studied. The shell model calculations are done for both even-A and odd-A nuclei, to study the structure of rich-neutron Carbon isotopes. The EDF theory indicates the single-neutron halo structures in {sup 15}C, {sup 17}C and {sup 19}C, and the two-neutron halo structures in {sup 16}C and {sup 22}C nuclei. It is also found that close to the neutron drip-line, there exist amazing increase in the neutron radii and decrease on the binding energies BE, which are tightly related with the blocking effect and correspondingly themore » blocking effect plays a significant role in the shell model configurations.« less

  7. Sparingly Solvating Electrolytes for High Energy Density Lithium-Sulfur Batteries

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

    Cheng, Lei; Curtiss, Larry A.; Zavadil, Kevin R.

    2016-07-11

    Moving to lighter and less expensive battery chemistries compared to lithium-ion requires the control of energy storage mechanisms based on chemical transformations rather than intercalation. Lithium sulfur (Li/S) has tremendous theoretical specific energy, but contemporary approaches to control this solution-mediated, precipitation-dissolution chemistry requires using large excesses of electrolyte to fully solubilize the polysulfide intermediate. Achieving reversible electrochemistry under lean electrolyte operation is the only path for Li/S to move beyond niche applications to potentially transformational performance. An emerging topic for Li/S research is the use of sparingly solvating electrolytes and the creation of design rules for discovering new electrolyte systemsmore » that fundamentally decouple electrolyte volume from reaction mechanism. This perspective presents an outlook for sparingly solvating electrolytes as the key path forward for longer-lived, high-energy density Li/S batteries including an overview of this promising new concept and some strategies for accomplishing it.« less

  8. Sparingly solvating electrolytes for high energy density Lithium–sulfur batteries

    DOE PAGES

    Cheng, Lei; Curtiss, Larry A.; Zavadil, Kevin R.; ...

    2016-07-11

    Moving to lighter and less expensive battery chemistries compared to lithium-ion requires the control of energy storage mechanisms based on chemical transformations rather than intercalation. Lithium sulfur (Li/S) has tremendous theoretical specific energy, but contemporary approaches to control this solution-mediated, precipitation-dissolution chemistry requires using large excesses of electrolyte to fully solubilize the polysulfide intermediate. Achieving reversible electrochemistry under lean electrolyte operation is the only path for Li/S to move beyond niche applications to potentially transformational performance. An emerging topic for Li/S research is the use of sparingly solvating electrolytes and the creation of design rules for discovering new electrolyte systemsmore » that fundamentally decouple electrolyte volume from reaction mechanism. Furthermore, this perspective presents an outlook for sparingly solvating electrolytes as the key path forward for longer-lived, high-energy density Li/S batteries including an overview of this promising new concept and some strategies for accomplishing it.« less

  9. Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

    NASA Astrophysics Data System (ADS)

    Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that LDL configurations are located in the same megabasin as LDA, and that HDL configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

  10. Modeling Laboratory Astrophysics Experiments in the High-Energy-Density Regime Using the CRASH Radiation-Hydrodynamics Model

    NASA Astrophysics Data System (ADS)

    Grosskopf, M. J.; Drake, R. P.; Trantham, M. R.; Kuranz, C. C.; Keiter, P. A.; Rutter, E. M.; Sweeney, R. M.; Malamud, G.

    2012-10-01

    The radiation hydrodynamics code developed by the Center for Radiative Shock Hydrodynamics (CRASH) at the University of Michigan has been used to model experimental designs for high-energy-density physics campaigns on OMEGA and other high-energy laser facilities. This code is an Eulerian, block-adaptive AMR hydrodynamics code with implicit multigroup radiation transport and electron heat conduction. CRASH model results have shown good agreement with a experimental results from a variety of applications, including: radiative shock, Kelvin-Helmholtz and Rayleigh-Taylor experiments on the OMEGA laser; as well as laser-driven ablative plumes in experiments by the Astrophysical Collisionless Shocks Experiments with Lasers (ACSEL), collaboration. We report a series of results with the CRASH code in support of design work for upcoming high-energy-density physics experiments, as well as comparison between existing experimental data and simulation results. 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-FG52-09NA29548, and by the National Laser User Facility Program, grant number DE-NA0000850.

  11. Hypovalency--a kinetic-energy density description of a 4c-2e bond.

    PubMed

    Jacobsen, Heiko

    2009-06-07

    A bond descriptor based on the kinetic energy density, the localized-orbital locator (LOL), is used to characterize the nature of the chemical bond in electron deficient multi-center bonds. The boranes B(2)H(6), B(4)H(4), B(4)H(10), [B(6)H(6)](2-), and [B(6)H(7)](-) serve as prototypical examples of hypovalent 3c-2e and 4c-2e bonding. The kinetic energy density is derived from a set of Kohn-Sham orbitals obtained from pure density functional calculations (PBE/TZVP), and the topology of LOL is analyzed in terms of (3,-3) attractors (Gamma). The B-B-B and B-H-B 3c-2e, and the B-B-H-B 4c-2e bonding situations are defined by their own characteristic LOL profiles. The presence of one attractor in relation to the three or four atoms that are engaged in electron deficient bonding provides sufficient indication of the type of 3c-2e or 4c-2e bond present. For the 4c-2e bond in [B(6)H(7)](-) the LOL analysis is compared to results from an experimental QTAIM study.

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

    DOE PAGES

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

    2017-08-16

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

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

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

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

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

  14. Co(OH)2 nanosheet-decorated graphene–CNT composite for supercapacitors of high energy density

    PubMed Central

    Cheng, Qian; Tang, Jie; Shinya, Norio; Qin, Lu-Chang

    2014-01-01

    A composite of graphene and carbon nanotubes has been synthesized and characterized for application as supercapacitor electrodes. By coating the nanostructured active material of Co(OH)2 onto one electrode, the asymmetric supercapacitor has exhibited a high specific capacitance of 310 F g−1, energy density of 172 Wh kg−1 and maximum power density of 198 kW kg−1 in ionic liquid electrolyte EMI-TFSI. PMID:27877633

  15. Associations Between Dietary Energy Density in Mothers and Growth of Breastfeeding Infants During the First 4 Months of Life.

    PubMed

    Moradi, Maedeh; Maracy, Mohammad R; Esmaillzadeh, Ahmad; Surkan, Pamela J; Azadbakht, Leila

    2018-05-31

    Despite the overwhelming impact of dietary energy density on the quality of the entire diet, no research has investigated dietary energy density among lactating mothers. Hence, the present study was undertaken to assess the influence of maternal dietary energy density during lactation on infant growth. Three hundred healthy lactating mother-infant pairs were enrolled in the study. Detailed demographic information and dietary intake data were collected from the lactating mothers. Anthropometric features such as infant weight, height, and head circumference at birth and 2 and 4 months and mother's pregnancy and postpartum weight and height were derived from health center records. Data on physical activity were reported using the International Physical Activity Questionnaire. After adjusting for confounding variables, infant weight, length, weight-for-height, and head circumference at birth, 2 months, and 4 months did not show significant differences among four dietary energy density categories (all p values > 0.01). Our study showed no association among quartiles of dietary energy density among lactating mothers and infant weight, length, weight-for-height, and head circumference growth by 2 and 4 months of age.

  16. Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand Interactions.

    PubMed

    Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

    2017-04-11

    First-principles quantum mechanical calculations with methods such as density functional theory (DFT) allow the accurate calculation of interaction energies between molecules. These interaction energies can be dissected into chemically relevant components such as electrostatics, polarization, and charge transfer using energy decomposition analysis (EDA) approaches. Typically EDA has been used to study interactions between small molecules; however, it has great potential to be applied to large biomolecular assemblies such as protein-protein and protein-ligand interactions. We present an application of EDA calculations to the study of ligands that bind to the thrombin protein, using the ONETEP program for linear-scaling DFT calculations. Our approach goes beyond simply providing the components of the interaction energy; we are also able to provide visual representations of the changes in density that happen as a result of polarization and charge transfer, thus pinpointing the functional groups between the ligand and protein that participate in each kind of interaction. We also demonstrate with this approach that we can focus on studying parts (fragments) of ligands. The method is relatively insensitive to the protocol that is used to prepare the structures, and the results obtained are therefore robust. This is an application to a real protein drug target of a whole new capability where accurate DFT calculations can produce both energetic and visual descriptors of interactions. These descriptors can be used to provide insights for tailoring interactions, as needed for example in drug design.

  17. Self-assembling graphene-anthraquinone-2-sulphonate supramolecular nanostructures with enhanced energy density for supercapacitors.

    PubMed

    Gao, Lifang; Gan, Shiyu; Li, Hongyan; Han, Dongxue; Li, Fenghua; Bao, Yu; Niu, Li

    2017-07-07

    Boosting the energy density of capacitive energy storage devices remains a crucial issue for facilitating applications. Herein, we report a graphene-anthraquinone supramolecular nanostructure by self-assembly for supercapacitors. The sulfonated anthraquinone exhibits high water solubility, a π-conjugated structure and redox active features, which not only serve as a spacer to interact with and stabilize graphene but also introduce extra pseudocapacitance contributions. The formed nest-like three-dimensional (3D) nanostructure with further hydrothermal treatment enhances the accessibility of ion transfer and exposes the redox-active quinone groups in the electrolytes. A fabricated all-solid-state flexible symmetric device delivers a high specific capacitance of 398.5 F g -1 at 1 A g -1 (1.5 times higher than graphene), superior energy density (52.24 Wh kg -1 at about 1 kW kg -1 ) and good stability (82% capacitance retention after 10 000 cycles).

  18. Aromatic Polythiourea Dielectrics with High Energy Density, High Breakdown Strength, and Low Dielectric Loss

    NASA Astrophysics Data System (ADS)

    Wu, Shan; Burlingame, Quinn; Lin, Minren; Zhang, Qiming

    2013-03-01

    There is an increasing demand on dielectric materials with high electric energy density and low loss for a broad range of applications in modern electronics and electrical power systems such as hybrid electric vehicles (HEV), medical defibrillators, filters, and switched-mode power supplies. One major challenge in developing dielectric polymers is how to achieve high energy density Ue while maintaining low dielectric loss, even at very high-applied electric fields. Here we show that amorphous polar-polymers with very low impurity concentration can be promising for realizing such a dielectric polymer. Polar-polymer with high dipole moment and weak dipole coupling can provide relatively high dielectric constant for high Ue, eliminate polarization and conduction losses due to weak dipolar coupling and strong polar-scattering to charge carriers. Indeed, an aromatic polythiourea thin film can maintain low loss to high fields (>1 GV/m) with a high Ue (~ 24 J/cm3) , which is very attractive for energy storage capacitors.

  19. Reducing energy intake and energy density for a sustainable diet: a study based on self-selected diets in French adults.

    PubMed

    Masset, Gabriel; Vieux, Florent; Verger, Eric Olivier; Soler, Louis-Georges; Touazi, Djilali; Darmon, Nicole

    2014-06-01

    Studies on theoretical diets are not sufficient to implement sustainable diets in practice because of unknown cultural acceptability. In contrast, self-selected diets can be considered culturally acceptable. The objective was to identify the most sustainable diets consumed by people in everyday life. The diet-related greenhouse gas emissions (GHGE) for self-selected diets of 1918 adults participating in the cross-sectional French national dietary survey Individual and National Survey on Food Consumption (INCA2) were estimated. "Lower-Carbon," "Higher-Quality," and "More Sustainable" diets were defined as having GHGE lower than the overall median value, a probability of adequate nutrition intake (PANDiet) score (a measure of the overall nutritional adequacy of a diet) higher than the overall median value, and a combination of both criteria, respectively. Diet cost, as a proxy for affordability, and energy density were also assessed. More Sustainable diets were consumed by 23% of men and 20% of women, and their GHGE values were 19% and 17% lower than the population average (mean) value, respectively. In comparison with the average value, Lower-Carbon diets achieved a 20% GHGE reduction and lower cost, but they were not sustainable because they had a lower PANDiet score. Higher-Quality diets were not sustainable because of their above-average GHGE and cost. More Sustainable diets had an above-average PANDiet score and a below-average energy density, cost, GHGE, and energy content; the energy share of plant-based products was increased by 20% and 15% compared with the average for men and women, respectively. A strength of this study was that most of the dimensions for "sustainable diets" were considered, ie, not only nutritional quality and GHGE but also affordability and cultural acceptability. A reduction in diet-related GHGE by 20% while maintaining high nutritional quality seems realistic. This goal could be achieved at no extra cost by reducing energy intake and

  20. Intramolecular vibrational energy redistribution and intermolecular energy transfer of benzene in supercritical CO 2: measurements from the gas phase up to liquid densities

    NASA Astrophysics Data System (ADS)

    von Benten, R.; Charvat, A.; Link, O.; Abel, B.; Schwarzer, D.

    2004-03-01

    Femtosecond pump probe spectroscopy was employed to measure intramolecular vibrational energy redistribution (IVR) and intermolecular vibrational energy transfer (VET) of benzene in the gas phase and in supercritical (sc) CO 2. We observe two IVR time scales the faster of which proceeds within τ IVR(1)<0.5 ps. The slower IVR component has a time constant of τ IVR(2)=(48±5) ps in the gas phase and in scCO 2 is accelerated by interactions with the solvent. At the highest CO 2 density it is reduced to τ IVR(2)=(6±1) ps. The corresponding IVR rate constants show a similar density dependence as the VET rate constants. Model calculations suggest that both quantities correlate with the local CO 2 density in the immediate surrounding of the benzene molecule.

  1. 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.

  2. Understanding and controlling the rest potential of carbon nanotube-based supercapacitors for energy density enhancement

    NASA Astrophysics Data System (ADS)

    Yoo, Young-Eun; Park, Jinwoo; Kim, Woong

    2018-03-01

    We present a novel method for enhancing the energy density of an electrical double layer capacitor (EDLC). Surface modification of single-walled carbon nanotube (SWNT) electrodes significantly affects the rest potential (E0) of EDLCs; acid treatment and polyethyleneimine (PEI) coating of SWNTs shift E0 toward more positive and more negative values, respectively. Adjusting E0 towards the center of the electrolyte stability window can increase the cell voltage and hence the energy density. PEI coating on SWNTs increases the cell voltage from 0.8 V to 1.7 V in tetrabutylammonium perchlorate (TBAP)/tetrahydrofuran (THF) electrolyte, and from 2.5 V to 3.1 V in tetraethylammonium tetrafluoroborate (TEABF4)/3-cyanopropionic acid methyl ester (CPAME), respectively. Moreover, PEI-SWNT EDLCs exhibit excellent cycling stability (92% of capacitance retention over 10000 cycles). We attribute the shift in E0 to a change in the Fermi level of SWNTs owing to the surface charge modification. Injection of electrical charge into PEI-SWNTs consistently yielded similar trends and thus validated our hypothesis. Our results may help to push various electrolytes that have been overlooked so far to new frontiers for obtaining high energy-density supercapacitors.

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

    PubMed

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

    2015-11-18

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

  4. A high-energy-density redox flow battery based on zinc/polyhalide chemistry.

    PubMed

    Zhang, Liqun; Lai, Qinzhi; Zhang, Jianlu; Zhang, Huamin

    2012-05-01

    Zn and the Art of Battery Development: A zinc/polyhalide redox flow battery employs Br(-) /ClBr(2-) and Zn/Zn(2+) redox couples in its positive and negative half-cells, respectively. The performance of the battery is evaluated by charge-discharge cycling tests and reveals a high energy efficiency of 81%, based on a Coulombic efficiency of 96% and voltage efficiency of 84%. The new battery technology can provide high performance and energy density at an acceptable cost. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Characterization of high density SiPM non-linearity and energy resolution for prompt gamma imaging applications

    NASA Astrophysics Data System (ADS)

    Regazzoni, V.; Acerbi, F.; Cozzi, G.; Ferri, A.; Fiorini, C.; Paternoster, G.; Piemonte, C.; Rucatti, D.; Zappalà, G.; Zorzi, N.; Gola, A.

    2017-07-01

    Fondazione Bruno Kessler (FBK) (Trento, Italy) has recently introduced High Density (HD) and Ultra High-Density (UHD) SiPMs, featuring very small micro-cell pitch. The high cell density is a very important factor to improve the linearity of the SiPM in high-dynamic-range applications, such as the scintillation light readout in high-energy gamma-ray spectroscopy and in prompt gamma imaging for proton therapy. The energy resolution at high energies is a trade-off between the excess noise factor caused by the non-linearity of the SiPM and the photon detection efficiency of the detector. To study these effects, we developed a new setup that simulates the LYSO light emission in response to gamma photons up to 30 MeV, using a pulsed light source. We measured the non-linearity and energy resolution vs. energy of the FBK RGB-HD e RGB-UHD SiPM technologies. We considered five different cell sizes, ranging from 10 μm up to 25 μm. With the UHD technology we were able to observe a remarkable reduction of the SiPM non-linearity, less than 5% at 5 MeV with 10 μm cells, which should be compared to a non-linearity of 50% with 25 μm-cell HD-SiPMs. With the same setup, we also measured the different components of the energy resolution (intrinsic, statistical, detector and electronic noise) vs. cell size, over-voltage and energy and we separated the different sources of excess noise factor.

  6. Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

    NASA Astrophysics Data System (ADS)

    Towers, J.; van Zyl, B. P.; Kirkby, W.

    2015-08-01

    In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

  7. Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

    DOE PAGES

    Mattsson, Thomas R.; Root, Seth; Mattsson, Ann E.; ...

    2014-11-11

    We use Sandia's Z machine and magnetically accelerated flyer plates to shock compress liquid krypton to 850 GPa and compare with results from density-functional theory (DFT) based simulations using the AM05 functional. We also employ quantum Monte Carlo calculations to motivate the choice of AM05. We conclude that the DFT results are sensitive to the quality of the pseudopotential in terms of scattering properties at high energy/temperature. A new Kr projector augmented wave potential was constructed with improved scattering properties which resulted in excellent agreement with the experimental results to 850 GPa and temperatures above 10 eV (110 kK). Inmore » conclusion, we present comparisons of our data from the Z experiments and DFT calculations to current equation of state models of krypton to determine the best model for high energy-density applications.« less

  8. 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.

  9. Declines in deepwater sculpin Myoxocephalus thompsonii energy density associated with the disappearance of Diporeia spp. in lakes Huron and Michigan

    USGS Publications Warehouse

    Pothoven, S.A.; Hondorp, D.W.; Nalepa, T.F.

    2011-01-01

    The deepwater sculpin Myoxocephalus thompsonii is a glacial relict in the Laurentian Great Lakes that primarily consumes two glacial relict crustaceans, Mysis relicta and Diporeia spp. Deepwater sculpin were collected in Lake Michigan off Little Sable Point (in 2001) and Muskegon, Michigan (in 2001 and 2009), and in Lake Huron off Harbor Beach, Michigan (in 2007) for energy density and diet analyses. These sites and years represented differences in available prey. In Lake Michigan, energy densities of deepwater sculpin in 2001 were similar to those reported in 1969-1971. In contrast, energy content declined at least 26% at Muskegon between 2001 and 2009. Overall, energy density was 31-34% higher at a site with abundant Diporeia spp. compared with two sites without Diporeia spp. Deepwater sculpin diets consisted primarily of M. relicta at all sites, but included 10-17% (dry mass) Diporeia spp. at sites where this crustacean was still abundant. Food biomass in stomachs was higher at sites with abundant Diporeia spp. than at those without Diporeia spp. Deepwater sculpin energy density and food biomass in stomachs were similar between two sites without Diporeia spp. despite differences in abundance of remaining prey, M. relicta. Declines in deepwater sculpin energy density suggest the potential for further effects on other species and changes in the flow of energy through the food web of the Great Lakes. Published 2010. This article is a US Government work and is in the public domain in the USA.

  10. Dietary boron does not affect tooth strength, micro-hardness, and density, but affects tooth mineral composition and alveolar bone mineral density in rabbits fed a high-energy diet.

    PubMed

    Hakki, Sema S; SiddikMalkoc; Dundar, Niyazi; Kayis, Seyit Ali; Hakki, Erdogan E; Hamurcu, Mehmet; Baspinar, Nuri; Basoglu, Abdullah; Nielsen, Forrest H; Götz, Werner

    2015-01-01

    The objective of this study was to determine whether dietary boron (B) affects the strength, density and mineral composition of teeth and mineral density of alveolar bone in rabbits with apparent obesity induced by a high-energy diet. Sixty female, 8-month-old, New Zealand rabbits were randomly assigned for 7 months into five groups as follows: (1) control 1, fed alfalfa hay only (5.91 MJ/kg and 57.5 mg B/kg); (2) control 2, high energy diet (11.76 MJ and 3.88 mg B/kg); (3) B10, high energy diet + 10 mg B gavage/kg body weight/96 h; (4) B30, high energy diet + 30 mg B gavage/kg body weight/96 h; (5) B50, high energy diet + 50 mg B gavage/kg body weight/96 h. Maxillary incisor teeth of the rabbits were evaluated for compression strength, mineral composition, and micro-hardness. Enamel, dentin, cementum and pulp tissue were examined histologically. Mineral densities of the incisor teeth and surrounding alveolar bone were determined by using micro-CT. When compared to controls, the different boron treatments did not significantly affect compression strength, and micro-hardness of the teeth, although the B content of teeth increased in a dose-dependent manner. Compared to control 1, B50 teeth had decreased phosphorus (P) concentrations. Histological examination revealed that teeth structure (shape and thickness of the enamel, dentin, cementum and pulp) was similar in the B-treated and control rabbits. Micro CT evaluation revealed greater alveolar bone mineral density in B10 and B30 groups than in controls. Alveolar bone density of the B50 group was not different than the controls. Although the B treatments did not affect teeth structure, strength, mineral density and micro-hardness, increasing B intake altered the mineral composition of teeth, and, in moderate amounts, had beneficial effects on surrounding alveolar bone.

  11. Boosting the Recoverable Energy Density of Lead-Free Ferroelectric Ceramic Thick Films through Artificially Induced Quasi-Relaxor Behavior.

    PubMed

    Peddigari, Mahesh; Palneedi, Haribabu; Hwang, Geon-Tae; Lim, Kyung Won; Kim, Ga-Yeon; Jeong, Dae-Yong; Ryu, Jungho

    2018-06-20

    Dielectric ceramic film capacitors, which store energy in the form of electric polarization, are promising for miniature pulsed power electronic device applications. For a superior energy storage performance of the capacitors, large recoverable energy density, along with high efficiency, high power density, fast charge/discharge rate, and good thermal/fatigue stability, is desired. Herein, we present highly dense lead-free 0.942[Na 0.535 K 0.480 NbO 3 ]-0.058LiNbO 3 (KNNLN) ferroelectric ceramic thick films (∼5 μm) demonstrating remarkable energy storage performance. The nanocrystalline KNNLN thick film fabricated by aerosol deposition (AD) process and annealed at 600 °C displayed a quasi-relaxor ferroelectric behavior, which is in contrast to the typical ferroelectric nature of the KNNLN ceramic in its bulk form. The AD film exhibited a large recoverable energy density of 23.4 J/cm 3 , with an efficiency of over 70% under the electric field of 1400 kV/cm. Besides, an ultrahigh power density of 38.8 MW/cm 3 together with a fast discharge speed of 0.45 μs, good fatigue endurance (up to 10 6 cycles), and thermal stability in a wide temperature range of 20-160 °C was also observed. Using the AD process, we could make a highly dense microstructure of the film containing nano-sized grains, which gave rise to the quasi-relaxor ferroelectric characteristics and the remarkable energy storage properties.

  12. Myocardial signal density levels and beam-hardening artifact attenuation using dual-energy computed tomography.

    PubMed

    Rodriguez-Granillo, Gaston A; Carrascosa, Patricia; Cipriano, Silvina; de Zan, Macarena; Deviggiano, Alejandro; Capunay, Carlos; Cury, Ricardo C

    2015-01-01

    The assessment of myocardial perfusion using single-energy (SE) imaging is influenced by beam-hardening artifacts (BHA). We sought to explore the ability of dual-energy (DE) imaging to attenuate the presence of BHA. Myocardial signal density (SD) was evaluated in 2240 myocardial segments (112 for each energy level) and in 320 American Heart Association segments among the SE group. Compared to DE reconstructions at the best energy level, SE acquisitions showed no significant differences overall regarding myocardial SD or signal-to-noise ratio. The segments most commonly affected by BHA showed significantly lower myocardial SD at the lowest energy levels, progressively normalizing at higher energy levels. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. One-dimensional α-MoO3 nanorods for high energy density pseudocapacitor

    NASA Astrophysics Data System (ADS)

    Dutta, Shibsankar; Pal, Shreyasi; De, Sukanta

    2018-04-01

    Ultralong α-MoO3 nanorods having length of 500 nm to 1 µm and uniform width of around ˜50 nm have been synthesized by a simple one step hydrothermal route using a molybdenum organic salt precursor. An evaluation of the electrochemical properties of the nanorods was done by cyclic voltammetry (CV), and galvanometric charging- discharging (GCD) test. Because of the high active sites and rapid ion diffusion and electron transport of the electrodes using as prepared nanorods reveals energy density of 65 Wh/kg at a power density of 940 W/ kg and a maximum specific capacitance of 474 F/g. It also shows excellent cycling stability.

  14. Scalable 2D Hierarchical Porous Carbon Nanosheets for Flexible Supercapacitors with Ultrahigh Energy Density.

    PubMed

    Yao, Lei; Wu, Qin; Zhang, Peixin; Zhang, Junmin; Wang, Dongrui; Li, Yongliang; Ren, Xiangzhong; Mi, Hongwei; Deng, Libo; Zheng, Zijian

    2018-03-01

    2D carbon nanomaterials such as graphene and its derivatives, have gained tremendous research interests in energy storage because of their high capacitance and chemical stability. However, scalable synthesis of ultrathin carbon nanosheets with well-defined pore architectures remains a great challenge. Herein, the first synthesis of 2D hierarchical porous carbon nanosheets (2D-HPCs) with rich nitrogen dopants is reported, which is prepared with high scalability through a rapid polymerization of a nitrogen-containing thermoset and a subsequent one-step pyrolysis and activation into 2D porous nanosheets. 2D-HPCs, which are typically 1.5 nm thick and 1-3 µm wide, show a high surface area (2406 m 2 g -1 ) and with hierarchical micro-, meso-, and macropores. This 2D and hierarchical porous structure leads to robust flexibility and good energy-storage capability, being 139 Wh kg -1 for a symmetric supercapacitor. Flexible supercapacitor devices fabricated by these 2D-HPCs also present an ultrahigh volumetric energy density of 8.4 mWh cm -3 at a power density of 24.9 mW cm -3 , which is retained at 80% even when the power density is increased by 20-fold. The devices show very high electrochemical life (96% retention after 10000 charge/discharge cycles) and excellent mechanical flexibility. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    NASA Astrophysics Data System (ADS)

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-01

    We studied the lattice vibrations of two interpenetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. As the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a nonzero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a "devil's staircase" behavior at a finite temperature.

  16. High-energy side-peak emission of exciton-polariton condensates in high density regime

    PubMed Central

    Horikiri, Tomoyuki; Yamaguchi, Makoto; Kamide, Kenji; Matsuo, Yasuhiro; Byrnes, Tim; Ishida, Natsuko; Löffler, Andreas; Höfling, Sven; Shikano, Yutaka; Ogawa, Tetsuo; Forchel, Alfred; Yamamoto, Yoshihisa

    2016-01-01

    In a standard semiconductor laser, electrons and holes recombine via stimulated emission to emit coherent light, in a process that is far from thermal equilibrium. Exciton-polariton condensates–sharing the same basic device structure as a semiconductor laser, consisting of quantum wells coupled to a microcavity–have been investigated primarily at densities far below the Mott density for signatures of Bose-Einstein condensation. At high densities approaching the Mott density, exciton-polariton condensates are generally thought to revert to a standard semiconductor laser, with the loss of strong coupling. Here, we report the observation of a photoluminescence sideband at high densities that cannot be accounted for by conventional semiconductor lasing. This also differs from an upper-polariton peak by the observation of the excitation power dependence in the peak-energy separation. Our interpretation as a persistent coherent electron-hole-photon coupling captures several features of this sideband, although a complete understanding of the experimental data is lacking. A full understanding of the observations should lead to a development in non-equilibrium many-body physics. PMID:27193700

  17. Orbital relaxation effects on Kohn–Sham frontier orbital energies in density functional theory

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

    Zhang, DaDi; Zheng, Xiao, E-mail: xz58@ustc.edu.cn; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026

    2015-04-21

    We explore effects of orbital relaxation on Kohn–Sham frontier orbital energies in density functional theory by using a nonempirical scaling correction approach developed in Zheng et al. [J. Chem. Phys. 138, 174105 (2013)]. Relaxation of Kohn–Sham orbitals upon addition/removal of a fractional number of electrons to/from a finite system is determined by a systematic perturbative treatment. The information of orbital relaxation is then used to improve the accuracy of predicted Kohn–Sham frontier orbital energies by Hartree–Fock, local density approximation, and generalized gradient approximation methods. The results clearly highlight the significance of capturing the orbital relaxation effects. Moreover, the proposed scalingmore » correction approach provides a useful way of computing derivative gaps and Fukui quantities of N-electron finite systems (N is an integer), without the need to perform self-consistent-field calculations for (N ± 1)-electron systems.« less

  18. Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas

    NASA Astrophysics Data System (ADS)

    Lindmaa, Alexander; Mattsson, Ann E.; Armiento, Rickard

    2014-03-01

    We show how one can systematically derive exact quantum corrections to the kinetic energy density (KED) in the Thomas-Fermi (TF) limit of the Airy gas (AG). The resulting expression is of second order in the density variation and we demonstrate how it applies universally to a certain class of model systems in the slowly varying regime, for which the accuracy of the gradient corrections of the extended Thomas-Fermi (ETF) model is limited. In particular we study two kinds of related electronic edges, the Hermite gas (HG) and the Mathieu gas (MG), which are both relevant for discussing periodic systems. We also consider two systems with finite integer particle number, namely non-interacting electrons subject to harmonic confinement as well as the hydrogenic potential. Finally we discuss possible implications of our findings mainly related to the field of functional development of the local kinetic energy contribution.

  19. Series asymmetric supercapacitors based on free-standing inner-connection electrodes for high energy density and high output voltage

    NASA Astrophysics Data System (ADS)

    Tao, Jiayou; Liu, Nishuang; Rao, Jiangyu; Ding, Longwei; Al Bahrani, Majid Raissan; Li, Luying; Su, Jun; Gao, Yihua

    2014-11-01

    Asymmetric supercapacitors (ASCs) based on free-standing membranes with high energy density and high output voltage are reported. MnO2 nanowire/carbon nanotube (CNT) composites and MoO3 nanobelt/CNT composites are selected as the anode and the cathode materials of the devices, respectively. The ASC has a high volumetric capacitance of 50.2 F cm-3 at a scan rate of 2 mV s-1 and a high operation voltage window of 2.0 V. Especially, after a middle layer with an inner-connection structure was inserted between the anode and the cathode, the output voltage of the whole device can achieve 4.0 V. The full cell of series ASCs (SASC) with an inner-connection middle layer has a high energy density of 28.6 mW h cm-3 at a power density of 261.4 mW cm-3, and exhibits excellent cycling performance of 99.6% capacitance retention over 10 000 cycles. This strategy of designing the hybridized structure for SASCs provides a promising route for next-generation SCs with high energy density and high output voltage.Asymmetric supercapacitors (ASCs) based on free-standing membranes with high energy density and high output voltage are reported. MnO2 nanowire/carbon nanotube (CNT) composites and MoO3 nanobelt/CNT composites are selected as the anode and the cathode materials of the devices, respectively. The ASC has a high volumetric capacitance of 50.2 F cm-3 at a scan rate of 2 mV s-1 and a high operation voltage window of 2.0 V. Especially, after a middle layer with an inner-connection structure was inserted between the anode and the cathode, the output voltage of the whole device can achieve 4.0 V. The full cell of series ASCs (SASC) with an inner-connection middle layer has a high energy density of 28.6 mW h cm-3 at a power density of 261.4 mW cm-3, and exhibits excellent cycling performance of 99.6% capacitance retention over 10 000 cycles. This strategy of designing the hybridized structure for SASCs provides a promising route for next-generation SCs with high energy density and high

  20. Energy density of foods and diets in Mexico and their monetary cost by socioeconomic strata: analyses of ENSANUT data 2012.

    PubMed

    Mendoza, Alfonso; Pérez, Ana E; Aggarwal, Anju; Drewnowski, Adam

    2017-07-01

    In January 2014, Mexico implemented an 8% tax on non-essential foods with energy density ≥275 kcal/100 g, with a view to prevent obesity. This study explored energy density of foods and diets in Mexico and their monetary cost across population subgroups. Dietary intakes for 3057 adults (ages ≥19 years) were obtained from the nationally representative Encuesta Nacional de Salud y Nutrición (ENSANUT 2012). Energy density (kcal/g) was calculated for foods, food groups and total diets. The mean national retail prices for 153 foods were obtained from the National Institute for Geography and Statistics (INEGI). The monetary cost of total diets (MXN/day) was estimated by attaching food prices to dietary intakes from the ENSANUT food frequency questionnaire. A series of descriptive analyses and regression models examined associations among dietary energy density and diet cost by age, gender, rural or urban residence and socioeconomic status (SES). Energy-dense grains, fats and sweets cost less per calorie than did milk and dairy, meat, vegetables and fruit. Lower cost diets derived more calories from tortillas, tamales, beans and sugar, whereas higher cost diets contained more non-essential energy-dense processed foods and more sugar sweetened beverages, and fruits and vegetables. At each quintile of energy intake, higher dietary energy density was associated with lower energy-adjusted diet costs. Traditional energy-dense tortillas and tamales, also characterised by lower cost, were consumed more by the rural poor. Urban dwellers had more 'western-style' diets. Food patterns in Mexico appear to be driven by monetary cost and SES. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

  1. Global scenarios of urban density and its impacts on building energy use through 2050.

    PubMed

    Güneralp, Burak; Zhou, Yuyu; Ürge-Vorsatz, Diana; Gupta, Mukesh; Yu, Sha; Patel, Pralit L; Fragkias, Michail; Li, Xiaoma; Seto, Karen C

    2017-08-22

    Although the scale of impending urbanization is well-acknowledged, we have a limited understanding of how urban forms will change and what their impact will be on building energy use. Using both top-down and bottom-up approaches and scenarios, we examine building energy use for heating and cooling. Globally, the energy use for heating and cooling by the middle of the century will be between 45 and 59 exajoules per year (corresponding to an increase of 7-40% since 2010). Most of this variability is due to the uncertainty in future urban densities of rapidly growing cities in Asia and particularly China. Dense urban development leads to less urban energy use overall. Waiting to retrofit the existing built environment until markets are ready in about 5 years to widely deploy the most advanced renovation technologies leads to more savings in building energy use. Potential for savings in energy use is greatest in China when coupled with efficiency gains. Advanced efficiency makes the least difference compared with the business-as-usual scenario in South Asia and Sub-Saharan Africa but significantly contributes to energy savings in North America and Europe. Systemic efforts that focus on both urban form, of which urban density is an indicator, and energy-efficient technologies, but that also account for potential co-benefits and trade-offs with human well-being can contribute to both local and global sustainability. Particularly in growing cities in the developing world, such efforts can improve the well-being of billions of urban residents and contribute to mitigating climate change by reducing energy use in urban areas.

  2. Global scenarios of urban density and its impacts on building energy use through 2050

    PubMed Central

    Güneralp, Burak; Zhou, Yuyu; Ürge-Vorsatz, Diana; Gupta, Mukesh; Yu, Sha; Patel, Pralit L.; Fragkias, Michail; Li, Xiaoma; Seto, Karen C.

    2017-01-01

    Although the scale of impending urbanization is well-acknowledged, we have a limited understanding of how urban forms will change and what their impact will be on building energy use. Using both top-down and bottom-up approaches and scenarios, we examine building energy use for heating and cooling. Globally, the energy use for heating and cooling by the middle of the century will be between 45 and 59 exajoules per year (corresponding to an increase of 7–40% since 2010). Most of this variability is due to the uncertainty in future urban densities of rapidly growing cities in Asia and particularly China. Dense urban development leads to less urban energy use overall. Waiting to retrofit the existing built environment until markets are ready in about 5 years to widely deploy the most advanced renovation technologies leads to more savings in building energy use. Potential for savings in energy use is greatest in China when coupled with efficiency gains. Advanced efficiency makes the least difference compared with the business-as-usual scenario in South Asia and Sub-Saharan Africa but significantly contributes to energy savings in North America and Europe. Systemic efforts that focus on both urban form, of which urban density is an indicator, and energy-efficient technologies, but that also account for potential co-benefits and trade-offs with human well-being can contribute to both local and global sustainability. Particularly in growing cities in the developing world, such efforts can improve the well-being of billions of urban residents and contribute to mitigating climate change by reducing energy use in urban areas. PMID:28069957

  3. Compressed Liquid Densities and Helmholtz Energy Equation of State for Fluoroethane (R161)

    NASA Astrophysics Data System (ADS)

    Qi, Haiyan; Fang, Dan; Gao, Kehui; Meng, Xianyang; Wu, Jiangtao

    2016-06-01

    In this study, compressed liquid densities of Fluoroethane (R161, CAS No. 353-36-6) were measured using a high-pressure vibrating-tube densimeter over the temperature range from (283 to 363) K with pressures up to 100 MPa. A Helmholtz energy equation of state for R161 was developed from these density measurements and other experimental thermodynamic property data from the literature. The formulation is valid for temperatures from the triple point temperature of 130 K to 420 K with pressures up to 100 MPa. The approximate uncertainties of properties calculated with the new equation of state are estimated to be 0.25 % in density, 0.2 % in saturated liquid density between 230 K and 320 K, and 0.2 % in vapor pressure below 350 K. Deviations in the critical region are higher for all properties. The extrapolation behavior of the new formulation at high temperatures and high pressures is reasonable.

  4. Tunable non-interacting free-energy functionals: development and applications to low-density aluminum

    NASA Astrophysics Data System (ADS)

    Trickey, Samuel; Karasiev, Valentin

    We introduce the concept of tunable orbital-free non-interacting free-energy density functionals and present a generalized gradient approximation (GGA) with a subset of parameters defined from constraints and a few free parameters. Those free parameters are tuned to reproduce reference Kohn-Sham (KS) static-lattice pressures for Al at T=8 kK for bulk densities between 0.6 and 2 g/cm3. The tuned functional then is used in OF molecular dynamics (MD) simulations for Al with densities between 0.1 and 2 g/cm3 and T between 6 and 50 kK to calculate the equation of state and generate configurations for electrical conductivity calculations. The tunable functional produces accurate results. Computationally it is very effective especially at elevated temperature. Kohn-Shiam calculations for such low densities are affordable only up to T=10 kK, while other OF approximations, including two-point functionals, fail badly in that regime. Work supported by US DoE Grant DE-SC0002139.

  5. Large Hadron Collider at CERN: Beams generating high-energy-density matter.

    PubMed

    Tahir, N A; Schmidt, R; Shutov, A; Lomonosov, I V; Piriz, A R; Hoffmann, D H H; Deutsch, C; Fortov, V E

    2009-04-01

    This paper presents numerical simulations that have been carried out to study the thermodynamic and hydrodynamic responses of a solid copper cylindrical target that is facially irradiated along the axis by one of the two Large Hadron Collider (LHC) 7 TeV/ c proton beams. The energy deposition by protons in solid copper has been calculated using an established particle interaction and Monte Carlo code, FLUKA, which is capable of simulating all components of the particle cascades in matter, up to multi-TeV energies. These data have been used as input to a sophisticated two-dimensional hydrodynamic computer code BIG2 that has been employed to study this problem. The prime purpose of these investigations was to assess the damage caused to the equipment if the entire LHC beam is lost at a single place. The FLUKA calculations show that the energy of protons will be deposited in solid copper within about 1 m assuming constant material parameters. Nevertheless, our hydrodynamic simulations have shown that the energy deposition region will extend to a length of about 35 m over the beam duration. This is due to the fact that first few tens of bunches deposit sufficient energy that leads to high pressure that generates an outgoing radial shock wave. Shock propagation leads to continuous reduction in the density at the target center that allows the protons delivered in subsequent bunches to penetrate deeper and deeper into the target. This phenomenon has also been seen in case of heavy-ion heated targets [N. A. Tahir, A. Kozyreva, P. Spiller, D. H. H. Hoffmann, and A. Shutov, Phys. Rev. E 63, 036407 (2001)]. This effect needs to be considered in the design of a sacrificial beam stopper. These simulations have also shown that the target is severely damaged and is converted into a huge sample of high-energy density (HED) matter. In fact, the inner part of the target is transformed into a strongly coupled plasma with fairly uniform physical conditions. This work, therefore, has

  6. Energy transfer networks: Quasicontinuum photoluminescence linked to high densities of defects

    DOE PAGES

    Laurence, Ted A.; Ly, Sonny; Bude, Jeff D.; ...

    2017-11-06

    In a series of studies related to laser-induced damage of optical materials and deposition of plastics, we discovered a broadly emitting photoluminescence with fast lifetimes that we termed quasicontinuum photoluminescence (QC-PL). Here in this paper, we suggest that a high density of optically active defects leads to QC-PL, where interactions between defects affect the temporal and spectral characteristics of both excitation and emission. We develop a model that predicts the temporal characteristics of QC-PL, based on energy transfer interactions between high densities of defects. Our model does not explain all spectral broadening and redshifts found in QC-PL, since we domore » not model spectral changes in defects due to proximity to other defects. However, we do provide an example of a well-defined system that exhibits the QC-PL characteristics of a distribution in shortened lifetimes and broadened, redshifted energy levels: an organic chromophore (fluorescein) that has been dried rapidly on a fused silica surface. Recently, we showed that regions of fused silica exposed to up to 1 billion high-fluence laser shots at 351 rm nm at subdamage fluences exhibit significant transmission losses at the surface. Here, we find that these laser-exposed regions also exhibit QC-PL. Increases in the density of induced defects on these laser-exposed surfaces, as measured by the local transmission loss, lead to decreases in the observed lifetime and redshifts in the spectrum of the QC-PL, consistent with our explanation for QC-PL. In conclusion, we have found QC-PL in an increasing variety of situations and materials, and we believe it is a phenomenon commonly found on surfaces and nanostructured materials.« less

  7. Energy transfer networks: Quasicontinuum photoluminescence linked to high densities of defects

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

    Laurence, Ted A.; Ly, Sonny; Bude, Jeff D.

    In a series of studies related to laser-induced damage of optical materials and deposition of plastics, we discovered a broadly emitting photoluminescence with fast lifetimes that we termed quasicontinuum photoluminescence (QC-PL). Here in this paper, we suggest that a high density of optically active defects leads to QC-PL, where interactions between defects affect the temporal and spectral characteristics of both excitation and emission. We develop a model that predicts the temporal characteristics of QC-PL, based on energy transfer interactions between high densities of defects. Our model does not explain all spectral broadening and redshifts found in QC-PL, since we domore » not model spectral changes in defects due to proximity to other defects. However, we do provide an example of a well-defined system that exhibits the QC-PL characteristics of a distribution in shortened lifetimes and broadened, redshifted energy levels: an organic chromophore (fluorescein) that has been dried rapidly on a fused silica surface. Recently, we showed that regions of fused silica exposed to up to 1 billion high-fluence laser shots at 351 rm nm at subdamage fluences exhibit significant transmission losses at the surface. Here, we find that these laser-exposed regions also exhibit QC-PL. Increases in the density of induced defects on these laser-exposed surfaces, as measured by the local transmission loss, lead to decreases in the observed lifetime and redshifts in the spectrum of the QC-PL, consistent with our explanation for QC-PL. In conclusion, we have found QC-PL in an increasing variety of situations and materials, and we believe it is a phenomenon commonly found on surfaces and nanostructured materials.« less

  8. Energy transfer networks: Quasicontinuum photoluminescence linked to high densities of defects

    NASA Astrophysics Data System (ADS)

    Laurence, Ted A.; Ly, Sonny; Bude, Jeff D.; Baxamusa, Salmaan H.; Lepró, Xavier; Ehrmann, Paul

    2017-11-01

    In a series of studies related to laser-induced damage of optical materials and deposition of plastics, we discovered a broadly emitting photoluminescence with fast lifetimes that we termed quasicontinuum photoluminescence (QC-PL). Here, we suggest that a high density of optically active defects leads to QC-PL, where interactions between defects affect the temporal and spectral characteristics of both excitation and emission. We develop a model that predicts the temporal characteristics of QC-PL, based on energy transfer interactions between high densities of defects. Our model does not explain all spectral broadening and redshifts found in QC-PL, since we do not model spectral changes in defects due to proximity to other defects. However, we do provide an example of a well-defined system that exhibits the QC-PL characteristics of a distribution in shortened lifetimes and broadened, redshifted energy levels: an organic chromophore (fluorescein) that has been dried rapidly on a fused silica surface. Recently, we showed that regions of fused silica exposed to up to 1 billion high-fluence laser shots at 351 rm nm at subdamage fluences exhibit significant transmission losses at the surface. Here, we find that these laser-exposed regions also exhibit QC-PL. Increases in the density of induced defects on these laser-exposed surfaces, as measured by the local transmission loss, lead to decreases in the observed lifetime and redshifts in the spectrum of the QC-PL, consistent with our explanation for QC-PL. We have found QC-PL in an increasing variety of situations and materials, and we believe it is a phenomenon commonly found on surfaces and nanostructured materials.

  9. A High Power Density Single-Phase PWM Rectifier with Active Ripple Energy Storage

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

    Ning, Puqi; Wang, Ruxi; Wang, Fei

    It is well known that there exist second-order harmonic current and corresponding ripple voltage on dc bus for single phase PWM rectifiers. The low frequency harmonic current is normally filtered using a bulk capacitor in the bus which results in low power density. This paper proposed an active ripple energy storage method that can effectively reduce the energy storage capacitance. The feed-forward control method and design considerations are provided. Simulation and 15 kW experimental results are provided for verification purposes.

  10. Effect of pristine graphene incorporation on charge storage mechanism of three-dimensional graphene oxide: superior energy and power density retention

    PubMed Central

    Singh, Kiran Pal; Bhattacharjya, Dhrubajyoti; Razmjooei, Fatemeh; Yu, Jong-Sung

    2016-01-01

    In the race of gaining higher energy density, carbon’s capacity to retain power density is generally lost due to defect incorporation and resistance increment in carbon electrode. Herein, a relationship between charge carrier density/charge movement and supercapacitance performance is established. For this purpose we have incorporated the most defect-free pristine graphene into defective/sacrificial graphene oxide. A unique co-solvent-based technique is applied to get a homogeneous suspension of single to bi-layer graphene and graphene oxide. This suspension is then transformed into a 3D composite structure of pristine graphene sheets (GSs) and defective N-doped reduced graphene oxide (N-RGO), which is the first stable and homogenous 3D composite between GS and RGO to the best of our knowledge. It is found that incorporation of pristine graphene can drastically decrease defect density and thus decrease relaxation time due to improved associations between electrons in GS and ions in electrolyte. Furthermore, N doping is implemented selectively only on RGO and such doping is shown to improve the charge carrier density of the composite, which eventually improves the energy density. After all, the novel 3D composite structure of N-RGO and GS greatly improves energy and power density even at high current density (20 A/g). PMID:27530441

  11. Carbon-oxygen clusters as hypothetical high energy-density materials

    NASA Astrophysics Data System (ADS)

    Evangelisti, Stefano

    1997-05-01

    An an initio investigation on the hypothetical systems C nO n ( n = 2, 3, 4) is presented. Calculations have been performed at SCF and MP2 level, using a [3s2p1 d] basis set on each atom. At this level of approximation, two metastable structures have been found. They are C 2O 2 with C 2v symmetry (an irregular tetrahedron) and C 4O 4 with T d symmetry (two regular tetrahedra copenetrating each other). On the other hand, the search of local minima with C nv structures has failed for n = 3, 4. For the two metastable structures also larger basis sets have been used, up to [4s3p2d1f] (in the case of C 4O 4, at SCF level only). The computed energy release of the dissociation reaction (C nO n → n CO) of the two metastable structures is very high (about 100 kcal per mole of CO produced). It is of the same magnitude of the energy computed for the corresponding isoelectronic structures N 4 and N 8. If these or similar CO-clusters could be synthesized, these systems are candidates to be high energy-density materials (HEDM).

  12. Improving the energy density of hydraulic hybrid vehicles (HHVS) and evaluating plug-in HHVS.

    DOT National Transportation Integrated Search

    2010-10-01

    This report describes analyses performed by researchers at The University of Toledo (UT) in : collaboration with researchers at the University of Detroit Mercy (UDM) on the project : Improving the Energy Density of Hydraulic Hybrid Vehicles (HHVs)...

  13. High-dielectric-constant polymers as high-energy-density (HED) field effect actuator and capacitor materials

    NASA Astrophysics Data System (ADS)

    Huang, Cheng; Zhang, Qiming

    2004-07-01

    The development of high dielectric constant polymers as active materials in high-performance devices is one of the challenges in polymeric electronics and opto-electronics such as flexible thin-film capacitors, memory devices and microactuators for deformable micromirror technology. A group of poly(vinylidene fluoridetrifluoroethylene) P(VDF-TrFE) based high-dielectric-constant fluoroterpolymers have been developed, which have high room-temperature dielectric constant (K>60) and very high strain level and high energy density. The longitudinal and transverse strain of these materials can reach about -7% and 4.5%, respectively, and the elastic energy density is around 1.1 J/cm^3 under a high electric field of 150 MV/m. The influence on the electromechanical properties of copolymerizing poly(vinylidene fluoride-trifluoroethylene) (PVDF-TrFE) with a third monomer, chlorofluoroethylene (CFE), was investigated. It was found that increasing the CFE content from 0 to 8.5% slowly converts the ferroelectric structure of the copolymer to a relaxor ferroelectric system. This allows for a greatly decreased polarization and dielectric hysteresis and a much higher strain. Above 8.5%, increased CFE content substantially degrades the bulk crystallinity and the Young's modulus. These terpolymers have the potential to achieve above 10 J/cm^3 whole capacity energy density, which makes them good candidates for applications in pulse power capacitors. An all-polymer percolative composite by the combination of conductive polyaniline particles (K>10^5) within a fluoroterpolymer matrix, is introduced which exhibits very high dielectric constant (>7,000). The experimental results show that the dielectric behavior of this new class of percolative composites follows the prediction of the percolation theory and the analysis of the conductive percolation phenomena. The very high dielectric constant of the all-polymer composites which are also very flexible and possess elastic modulus not very

  14. 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.

  15. A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution.

    PubMed

    Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Koga, Kenichiro

    2016-06-14

    In the conventional classical density functional theory (DFT) for simple fluids, an ideal gas is usually chosen as the reference system because there is a one-to-one correspondence between the external field and the density distribution function, and the exact intrinsic free-energy functional is available for the ideal gas. In this case, the second-order density functional Taylor series expansion of the excess intrinsic free-energy functional provides the hypernetted-chain (HNC) approximation. Recently, it has been shown that the HNC approximation significantly overestimates the solvation free energy (SFE) for an infinitely dilute Lennard-Jones (LJ) solution, especially when the solute particles are several times larger than the solvent particles [T. Miyata and J. Thapa, Chem. Phys. Lett. 604, 122 (2014)]. In the present study, we propose a reference-modified density functional theory as a systematic approach to improve the SFE functional as well as the pair distribution functions. The second-order density functional Taylor series expansion for the excess part of the intrinsic free-energy functional in which a hard-sphere fluid is introduced as the reference system instead of an ideal gas is applied to the LJ pure and infinitely dilute solution systems and is proved to remarkably improve the drawbacks of the HNC approximation. Furthermore, the third-order density functional expansion approximation in which a factorization approximation is applied to the triplet direct correlation function is examined for the LJ systems. We also show that the third-order contribution can yield further refinements for both the pair distribution function and the excess chemical potential for the pure LJ liquids.

  16. Enhanced discharge energy density of rGO/PVDF nanocomposites: The role of the heterointerface

    NASA Astrophysics Data System (ADS)

    Zhang, Ye; Wang, Yaqiong; Qi, Shaojun; Dunn, Steve; Dong, Hanshan; Button, Tim

    2018-05-01

    Recent reports of conductive-filler/polymer composites with large dielectric permittivity (K) make them potential candidates for flexible capacitors. Hence, an interesting question is how these high K composites behave under a strong electric field strength. In this letter, we use in-situ-reduced graphite oxide (rGO)/poly(vinylidene fluoride) (PVDF) nanocomposites as an example to study the energy storage behaviour of high K materials. We show the dielectric behaviour contrasts between weak and strong fields. High K materials inevitably become more lossy with increasing field strength. Simultaneously, we reveal that the in-situ reduction temperature can affect the energy storage performance. Improved energy storage performance is achieved for a nanocomposite reduced at a moderate temperature. When reduced at 160 °C, a device with an rGO volume fraction of 1.5 vol. % displayed a discharge energy density of 0.67 J/cm3 at 50 MV/m. This was 2.9 times greater than pure PVDF. We develop a model to explain this behaviour that proposes a reduced electrical contrast of the rGO/PVDF heterointerface minimising the recombination of localized charge carriers. Our results indicate, simultaneously, the potential and limitation of high K nanocomposites and shed light on the optimisation of the design and fabrication of high discharge energy density flexible capacitors for microelectronic devices.

  17. Nano-RuO2 -Decorated Holey Graphene Composite Fibers for Micro-Supercapacitors with Ultrahigh Energy Density.

    PubMed

    Zhai, Shengli; Wang, Chaojun; Karahan, Huseyin Enis; Wang, Yanqing; Chen, Xuncai; Sui, Xiao; Huang, Qianwei; Liao, Xiaozhou; Wang, Xin; Chen, Yuan

    2018-06-07

    Compactness and versatility of fiber-based micro-supercapacitors (FMSCs) make them promising for emerging wearable electronic devices as energy storage solutions. But, increasing the energy storage capacity of microscale fiber electrodes, while retaining their high power density, remains a significant challenge. Here, this issue is addressed by incorporating ultrahigh mass loading of ruthenium oxide (RuO 2 ) nanoparticles (up to 42.5 wt%) uniformly on nanocarbon-based microfibers composed largely of holey reduced graphene oxide (HrGO) with a lower amount of single-walled carbon nanotubes as nanospacers. This facile approach involes (1) space-confined hydrothermal assembly of highly porous but 3D interconnected carbon structure, (2) impregnating wet carbon structures with aqueous Ru 3+ ions, and (3) anchoring RuO 2 nanoparticles on HrGO surfaces. Solid-state FMSCs assembled using those fibers demonstrate a specific volumetric capacitance of 199 F cm -3 at 2 mV s -1 . Fabricated FMSCs also deliver an ultrahigh energy density of 27.3 mWh cm -3 , the highest among those reported for FMSCs to date. Furthermore, integrating 20 pieces of FMSCs with two commercial flexible solar cells as a self-powering energy system, a light-emitting diode panel can be lit up stably. The current work highlights the excellent potential of nano-RuO 2 -decorated HrGO composite fibers for constructing micro-supercapacitors with high energy density for wearable electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. The Rapidity Density Distributions and Longitudinal Expansion Dynamics of Identified Pions from the STAR Beam Energy Scan

    NASA Astrophysics Data System (ADS)

    Flores, Christopher E.

    2016-12-01

    The Beam Energy Scan (BES) at the Relativistic Heavy-Ion Collider was proposed to characterize the properties of the medium produced in heavy-ion interactions over a broad range of baryon chemical potential. The aptitude of the STAR detector for mid-rapidity measurements has previously been leveraged to measure identified particle yields and spectra to extract bulk properties for the BES energies for | y | ≤ 0.1. However, to extract information on expansion dynamics and full phase space particle production, it is necessary to study identified particle rapidity density distributions. We present the first rapidity density distributions of identified pions from Au+Au collisions at √{sNN} = 7.7 , 11.5, and 19.6 GeV from the BES program as measured by the STAR detector. We use these distributions to obtain the full phase space yields of the pions to provide additional information of the system's chemistry. Further, we report the width of the rapidity density distributions compared to the width expected from Landau hydrodynamics. Finally, we interpret the results as a function of collision energy and discuss them in the context of previous energy scans done at the AGS and SPS.

  19. Magnetic storm of September 4, 1984 - A synthesis of ring current spectra and energy densities measured with AMPTE/CCE

    NASA Technical Reports Server (NTRS)

    Krimigis, S. M.; Mcentire, R. W.; Potemra, T. A.; Gloeckler, G.; Scarf, F. L.; Shelley, E. G.

    1985-01-01

    Compositional studies of the equatorial distributions of ring current ions during the September 4, 1984 magnetic storm have been made possible by comprehensive energy, charge state, and mass coverage data from the Charge Composition Explorer satellite. An examination of ion spectra at an L value of about 4 on September 5, in the local evening sector, shows that energy density was dominated by protons, with O ions contributing about 27 percent at the peak of about 150 keV, while He ions contributed less than about 2 percent. September 6 ion spectra, taken during the recovery phase of the storm, indicate that ion densities at more than 20 keV had decreased markedly, and that the ring current energy density was primarily provided by protons.

  20. Ultralow energy ion beam surface modification of low density polyethylene.

    PubMed

    Shenton, Martyn J; Bradley, James W; van den Berg, Jaap A; Armour, David G; Stevens, Gary C

    2005-12-01

    Ultralow energy Ar+ and O+ ion beam irradiation of low density polyethylene has been carried out under controlled dose and monoenergetic conditions. XPS of Ar+-treated surfaces exposed to ambient atmosphere show that the bombardment of 50 eV Ar+ ions at a total dose of 10(16) cm(-2) gives rise to very reactive surfaces with oxygen incorporation at about 50% of the species present in the upper surface layer. Using pure O+ beam irradiation, comparatively low O incorporation is achieved without exposure to atmosphere (approximately 13% O in the upper surface). However, if the surface is activated by Ar+ pretreatment, then large oxygen contents can be achieved under subsequent O+ irradiation (up to 48% O). The results show that for very low energy (20 eV) oxygen ions there is a dose threshold of about 5 x 10(15) cm(-2) before surface oxygen incorporation is observed. It appears that, for both Ar+ and O+ ions in this regime, the degree of surface modification is only very weakly dependent on the ion energy. The results suggest that in the nonequilibrium plasma treatment of polymers, where the ion flux is typically 10(18) m(-2) s(-1), low energy ions (<50 eV) may be responsible for surface chemical modification.

  1. Giant energy density and high efficiency achieved in bismuth ferrite-based film capacitors via domain engineering.

    PubMed

    Pan, Hao; Ma, Jing; Ma, Ji; Zhang, Qinghua; Liu, Xiaozhi; Guan, Bo; Gu, Lin; Zhang, Xin; Zhang, Yu-Jun; Li, Liangliang; Shen, Yang; Lin, Yuan-Hua; Nan, Ce-Wen

    2018-05-08

    Developing high-performance film dielectrics for capacitive energy storage has been a great challenge for modern electrical devices. Despite good results obtained in lead titanate-based dielectrics, lead-free alternatives are strongly desirable due to environmental concerns. Here we demonstrate that giant energy densities of ~70 J cm -3 , together with high efficiency as well as excellent cycling and thermal stability, can be achieved in lead-free bismuth ferrite-strontium titanate solid-solution films through domain engineering. It is revealed that the incorporation of strontium titanate transforms the ferroelectric micro-domains of bismuth ferrite into highly-dynamic polar nano-regions, resulting in a ferroelectric to relaxor-ferroelectric transition with concurrently improved energy density and efficiency. Additionally, the introduction of strontium titanate greatly improves the electrical insulation and breakdown strength of the films by suppressing the formation of oxygen vacancies. This work opens up a feasible and propagable route, i.e., domain engineering, to systematically develop new lead-free dielectrics for energy storage.

  2. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

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

    Meng, Qingping; Wu, Lijun; Welch, David O.

    2015-06-17

    We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

  3. 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.

  4. Binder-free three-dimensional high energy density electrodes for ionic-liquid supercapacitors.

    PubMed

    Tran, Chau; Lawrence, Daniel; Richey, Francis W; Dillard, Caitlin; Elabd, Yossef A; Kalra, Vibha

    2015-09-18

    We demonstrate a facile methodology to fabricate binder-free porous carbon nanofiber electrodes for room temperature ionic-liquid supercapacitors. The device provides an energy density of 80 W h kg(-1) based on the mass of two electrodes while retaining the high rate capability of supercapacitors with near-ideal CV curves at a high scan rate of 200 mV s(-1).

  5. The Nuclear Energy Density Functional Formalism

    NASA Astrophysics Data System (ADS)

    Duguet, T.

    The present document focuses on the theoretical foundations of the nuclear energy density functional (EDF) method. As such, it does not aim at reviewing the status of the field, at covering all possible ramifications of the approach or at presenting recent achievements and applications. The objective is to provide a modern account of the nuclear EDF formalism that is at variance with traditional presentations that rely, at one point or another, on a Hamiltonian-based picture. The latter is not general enough to encompass what the nuclear EDF method represents as of today. Specifically, the traditional Hamiltonian-based picture does not allow one to grasp the difficulties associated with the fact that currently available parametrizations of the energy kernel E[g',g] at play in the method do not derive from a genuine Hamilton operator, would the latter be effective. The method is formulated from the outset through the most general multi-reference, i.e. beyond mean-field, implementation such that the single-reference, i.e. "mean-field", derives as a particular case. As such, a key point of the presentation provided here is to demonstrate that the multi-reference EDF method can indeed be formulated in a mathematically meaningful fashion even if E[g',g] does not derive from a genuine Hamilton operator. In particular, the restoration of symmetries can be entirely formulated without making any reference to a projected state, i.e. within a genuine EDF framework. However, and as is illustrated in the present document, a mathematically meaningful formulation does not guarantee that the formalism is sound from a physical standpoint. The price at which the latter can be enforced as well in the future is eventually alluded to.

  6. High Energy-Density and Reversibility of Iron Fluoride Cathode Enabled Via an Intercalation-Extrusion Reaction

    DOE PAGES

    Fan, Xiulin; Hu, Enyuan; Ji, Xiao; ...

    2018-05-30

    Iron fluoride, an intercalation-conversion cathode for lithium ion batteries, promises a high theoretical energy density of 1922 Wh Kg –1. However, poor electrochemical reversibility due to repeated breaking/reformation of metal-fluoride bonds poses a grand challenge for its practical application. Here we report that both a high reversibility over 1000 cycles and a high capacity of 420 mAh g –1 can be realized by concerted doping of cobalt and oxygen into iron fluoride. In the doped nanorods, an energy density of ~1000 Wh Kg –1 with a decay rate of 0.03% per cycle is achieved. The anion and cation’s co-substitutions thermodynamicallymore » reduce conversion-reaction potential and shift the reaction from less reversible intercalation-conversion reaction in iron fluoride to a highly reversible intercalation-extrusion reaction in doped material. Furthermore, the co-substitution strategy to tune the thermodynamic features of the reactions could be extended to other high energy conversion materials for improved performance.« less

  7. High Energy-Density and Reversibility of Iron Fluoride Cathode Enabled Via an Intercalation-Extrusion Reaction

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

    Fan, Xiulin; Hu, Enyuan; Ji, Xiao

    Iron fluoride, an intercalation-conversion cathode for lithium ion batteries, promises a high theoretical energy density of 1922 Wh Kg –1. However, poor electrochemical reversibility due to repeated breaking/reformation of metal-fluoride bonds poses a grand challenge for its practical application. Here we report that both a high reversibility over 1000 cycles and a high capacity of 420 mAh g –1 can be realized by concerted doping of cobalt and oxygen into iron fluoride. In the doped nanorods, an energy density of ~1000 Wh Kg –1 with a decay rate of 0.03% per cycle is achieved. The anion and cation’s co-substitutions thermodynamicallymore » reduce conversion-reaction potential and shift the reaction from less reversible intercalation-conversion reaction in iron fluoride to a highly reversible intercalation-extrusion reaction in doped material. Furthermore, the co-substitution strategy to tune the thermodynamic features of the reactions could be extended to other high energy conversion materials for improved performance.« less

  8. One-step electroplating porous graphene oxide electrodes of supercapacitors for ultrahigh capacitance and energy density.

    PubMed

    Wang, Yongjie; Zhu, Jiaqi

    2015-02-06

    An electroplating method was used for the first time to synthesize 3D porous graphene oxide (PGO) architectures, exhibiting ultrahigh capacitance and energy density as electrodes of supercapacitors. Scanning electron microscopy illustrated the porous structures which promoted the stability and alleviated the stacking of the graphene oxide layers. As investigated in a three-electrode supercapacitor cell, PGO electrodes exhibited the maximum capacitance and energy of 973 F · g(-1) and 98.4 Wh · Kg(-1), which are better than current reports and comparable to batteries. At 4 A · g(-1) for high-power applications, PGO electrodes reached a capacitance, energy, and power density of 493 F · g(-1), 49.9 Wh · Kg(-1), and 1700 W · Kg(-1), and they retained ∼97.83% of capacitance after 10 000 charge/discharge processes. Furthermore, when the PGO was bent exaggeratedly, it still displayed identical properties, which is of important significance for supporting wearable devices.

  9. Variability of the broad absorption lines in the QSO UM 232

    NASA Technical Reports Server (NTRS)

    Barlow, Thomas A.; Junkkarinen, Vesa T.; Burbidge, E. Margaret

    1989-01-01

    Low-resolution spectra of UM 232 taken in 1978, 1979, and 1988 at Lick Observatory are presented. Large changes in the Si IV lambda 1397, CIV lambda 1549, and Al III lambda 1857 broad absorption lines are apparent. The decrease in column density in all three ions and an observed brightening of the QSO suggests that these changes are due to an increase in the ionization level driven by an increase in the central source luminosity. This mechanism has been proposed by Smith and Penston to explain small changes in the absorption spectrum of the QSO 1246-057. The spectra of UM 232 show that the fractional decrease in optical depth is smaller at higher outflow velocies. The structure of the broad absorption-line region (BALR) is investigted by estimating an ionization parameter for each ion species as a function of velocity.

  10. 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

  11. 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.

  12. Buying less and wasting less food. Changes in household food energy purchases, energy intakes and energy density between 2007 and 2012 with and without adjustment for food waste.

    PubMed

    Whybrow, Stephen; Horgan, Graham W; Macdiarmid, Jennie I

    2017-05-01

    Consumers in the UK responded to the rapid increases in food prices between 2007 and 2009 partly by reducing the amount of food energy bought. Household food and drink waste has also decreased since 2007. The present study explored the combined effects of reductions in food purchases and waste on estimated food energy intakes and dietary energy density. The amount of food energy purchased per adult equivalent was calculated from Kantar Worldpanel household food and drink purchase data for 2007 and 2012. Food energy intakes were estimated by adjusting purchase data for food and drink waste, using waste factors specific to the two years and scaled for household size. Scotland. Households in Scotland (n 2657 in 2007; n 2841 in 2012). The amount of food energy purchased decreased between 2007 and 2012, from 8·6 to 8·2 MJ/adult equivalent per d (P<0·001). After accounting for the decrease in food waste, estimated food energy intake was not significantly different (7·3 and 7·2 MJ/adult equivalent per d for 2007 and 2012, respectively; P=0·186). Energy density of foods purchased increased slightly from 700 to 706 kJ/100 g (P=0·010). While consumers in Scotland reduced the amount of food energy that they purchased between 2007 and 2012, this was balanced by reductions in household food and drink waste over the same time, resulting in no significant change in net estimated energy intake of foods brought into the home.

  13. Effect of electron-phonon coupling on energy and density of states renormalizations of dynamically screened graphene

    NASA Astrophysics Data System (ADS)

    Leblanc, J. P. F.; Carbotte, J. P.; Nicol, E. J.

    2012-02-01

    Motivated by recent tunneling and angle-resolved photoemission (ARPES) work [1,2], we explore the combined effect of electron-electron and electron-phonon couplings on the renormalized energy dispersion, the spectral function, and the density of states of doped graphene. We find that the plasmarons seen in ARPES are also observable in the density of states and appear as structures with quadratic dependence on energy about the minima. Further, we illustrate how knowledge of the slopes of both the density of states and the renormalized dispersion near the Fermi level can allow for the separation of momentum and frequency dependent renormalizations to the Fermi velocity. This analysis should allow for the isolation of the renormalization due to the electron-phonon interaction from that of the electron-electron interaction. [4pt] [1] Brar et al. Phys. Rev. Lett. 104, 036805 (2010) [2] Bostwick et al. Science 328, p.999 (2010)

  14. Extreme ultraviolet probing of nonequilibrium dynamics in high energy density germanium

    NASA Astrophysics Data System (ADS)

    Principi, E.; Giangrisostomi, E.; Mincigrucci, R.; Beye, M.; Kurdi, G.; Cucini, R.; Gessini, A.; Bencivenga, F.; Masciovecchio, C.

    2018-05-01

    Intense femtosecond infrared laser pulses induce a nonequilibrium between thousands of Kelvin hot valence electrons and room-temperature ions in a germanium sample foil. The evolution of this exotic state of matter is monitored with time-resolved extreme ultraviolet absorption spectroscopy across the Ge M2 ,3 edge (≃30 eV ) using the FERMI free-electron laser. We analyze two distinct regimes in the ultrafast dynamics in laser-excited Ge: First, on a subpicosecond time scale, the electron energy distribution thermalizes to an extreme temperature unreachable in equilibrium solid germanium; then, during the following picoseconds, the lattice reacts strongly altering the electronic structure and resulting in melting to a metallic state alongside a breakdown of the local atomic order. Data analysis, based on a hybrid approach including both numerical and analytical calculations, provides an estimation of the electron and ion temperatures, the electron density of states, the carrier-phonon relaxation time, as well as the carrier density and lattice heat capacity under those extreme nonequilibrium conditions. Related structural anomalies, such as the occurrence of a transient low-density liquid phase and the possible drop in lattice heat capacity are discussed.

  15. Energy density and variability in abundance of pigeon guillemot prey: Support for the quality-variability trade-off hypothesis

    USGS Publications Warehouse

    Litzow, Michael A.; Piatt, John F.; Abookire, Alisa A.; Robards, Martin D.

    2004-01-01

    1. The quality-variability trade-off hypothesis predicts that (i) energy density (kJ g-1) and spatial-temporal variability in abundance are positively correlated in nearshore marine fishes; and (ii) prey selection by a nearshore piscivore, the pigeon guillemot (Cepphus columba Pallas), is negatively affected by variability in abundance. 2. We tested these predictions with data from a 4-year study that measured fish abundance with beach seines and pigeon guillemot prey utilization with visual identification of chick meals. 3. The first prediction was supported. Pearson's correlation showed that fishes with higher energy density were more variable on seasonal (r = 0.71) and annual (r = 0.66) time scales. Higher energy density fishes were also more abundant overall (r = 0.85) and more patchy at a scale of 10s of km (r = 0.77). 4. Prey utilization by pigeon guillemots was strongly non-random. Relative preference, defined as the difference between log-ratio transformed proportions of individual prey taxa in chick diets and beach seine catches, was significantly different from zero for seven of the eight main prey categories. 5. The second prediction was also supported. We used principal component analysis (PCA) to summarize variability in correlated prey characteristics (energy density, availability and variability in abundance). Two PCA scores explained 32% of observed variability in pigeon guillemot prey utilization. Seasonal variability in abundance was negatively weighted by these PCA scores, providing evidence of risk-averse selection. Prey availability, energy density and km-scale variability in abundance were positively weighted. 6. Trophic interactions are known to create variability in resource distribution in other systems. We propose that links between resource quality and the strength of trophic interactions may produce resource quality-variability trade-offs.

  16. Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

    PubMed

    Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

    2016-06-21

    We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

  17. SC-CO2-assisted process for a high energy density aerogel supercapacitor: the effect of GO loading

    NASA Astrophysics Data System (ADS)

    Sarno, Maria; Baldino, Lucia; Scudieri, Carmela; Cardea, Stefano; Ciambelli, Paolo; Reverchon, Ernesto

    2017-05-01

    Energy density, safety, and simple and environmentally friendly preparation methods are very significant aspects in the realization of a compact supercapacitor. Herein we report the use of a supercritical CO2-assisted gel drying process (SC-CO2) for the preparation of porous electrodes containing dispersed graphene in a poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) binder membrane to sandwich in a new portable supercapacitor based on graphene oxide (GO). A GO loading of 60 wt.% was found to give the best combination of factors (porosity, wettability, mechanical and electrochemical properties). Cycling voltammetry and charge/discharge studies showed an excellent capacitance behaviour and stability in an ionic liquid electrolyte, suggesting SC-CO2 processing as a promising platform to produce highly bulky and porous films for supercapacitors. The supercapacitor device delivers a very high energy density of 79.2 Wh kg-1 at a power density of 0.23 KW kg-1 (current density 0.5 A g-1, specific capacitance 36.2 F g-1) while that of steel remains at 50.3 Wh kg-1 at a power density of 2.8 KW kg-1 (current density 6 A g-1, specific capacitance 23.5 F g-1).

  18. SC-CO2-assisted process for a high energy density aerogel supercapacitor: the effect of GO loading.

    PubMed

    Sarno, Maria; Baldino, Lucia; Scudieri, Carmela; Cardea, Stefano; Ciambelli, Paolo; Reverchon, Ernesto

    2017-05-19

    Energy density, safety, and simple and environmentally friendly preparation methods are very significant aspects in the realization of a compact supercapacitor. Herein we report the use of a supercritical CO 2 -assisted gel drying process (SC-CO 2 ) for the preparation of porous electrodes containing dispersed graphene in a poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) binder membrane to sandwich in a new portable supercapacitor based on graphene oxide (GO). A GO loading of 60 wt.% was found to give the best combination of factors (porosity, wettability, mechanical and electrochemical properties). Cycling voltammetry and charge/discharge studies showed an excellent capacitance behaviour and stability in an ionic liquid electrolyte, suggesting SC-CO 2 processing as a promising platform to produce highly bulky and porous films for supercapacitors. The supercapacitor device delivers a very high energy density of 79.2 Wh kg -1 at a power density of 0.23 KW kg -1 (current density 0.5 A g -1 , specific capacitance 36.2 F g -1 ) while that of steel remains at 50.3 Wh kg -1 at a power density of 2.8 KW kg -1 (current density 6 A g -1 , specific capacitance 23.5 F g -1 ).

  19. Landau parameters for energy density functionals generated by local finite-range pseudopotentials

    NASA Astrophysics Data System (ADS)

    Idini, A.; Bennaceur, K.; Dobaczewski, J.

    2017-06-01

    In Landau theory of Fermi liquids, the particle-hole interaction near the Fermi energy in different spin-isospin channels is probed in terms of an expansion over the Legendre polynomials. This provides a useful and efficient way to constrain properties of nuclear energy density functionals in symmetric nuclear matter and finite nuclei. In this study, we present general expressions for Landau parameters corresponding to a two-body central local regularized pseudopotential. We also show results obtained for two recently adjusted NLO and N2LO parametrizations. Such pseudopotentials will be used to determine mean-field and beyond-mean-field properties of paired nuclei across the entire nuclear chart.

  20. Use of ordinary kriging and Gaussian conditional simulation to interpolate airborne fire radiative energy density estimates

    Treesearch

    C. Klauberg; A. T. Hudak; B. C. Bright; L. Boschetti; M. B. Dickinson; R. L. Kremens; C. A. Silva

    2018-01-01

    Fire radiative energy density (FRED, J m-2) integrated from fire radiative power density (FRPD, W m-2) observations of landscape-level fires can present an undersampling problem when collected from fixed-wing aircraft. In the present study, the aircraft made multiple passes over the fire at ~3 min intervals, thus failing to observe most of the FRPD emitted as the flame...

  1. Complex-energy approach to sum rules within nuclear density functional theory

    DOE PAGES

    Hinohara, Nobuo; Kortelainen, Markus; Nazarewicz, Witold; ...

    2015-04-27

    The linear response of the nucleus to an external field contains unique information about the effective interaction, correlations governing the behavior of the many-body system, and properties of its excited states. To characterize the response, it is useful to use its energy-weighted moments, or sum rules. By comparing computed sum rules with experimental values, the information content of the response can be utilized in the optimization process of the nuclear Hamiltonian or nuclear energy density functional (EDF). But the additional information comes at a price: compared to the ground state, computation of excited states is more demanding. To establish anmore » efficient framework to compute energy-weighted sum rules of the response that is adaptable to the optimization of the nuclear EDF and large-scale surveys of collective strength, we have developed a new technique within the complex-energy finite-amplitude method (FAM) based on the quasiparticle random- phase approximation. The proposed sum-rule technique based on the complex-energy FAM is a tool of choice when optimizing effective interactions or energy functionals. The method is very efficient and well-adaptable to parallel computing. As a result, the FAM formulation is especially useful when standard theorems based on commutation relations involving the nuclear Hamiltonian and external field cannot be used.« less

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

    DTIC Science & Technology

    2014-04-01

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

  3. Series asymmetric supercapacitors based on free-standing inner-connection electrodes for high energy density and high output voltage.

    PubMed

    Tao, Jiayou; Liu, Nishuang; Rao, Jiangyu; Ding, Longwei; Al Bahrani, Majid Raissan; Li, Luying; Su, Jun; Gao, Yihua

    2014-12-21

    Asymmetric supercapacitors (ASCs) based on free-standing membranes with high energy density and high output voltage are reported. MnO(2) nanowire/carbon nanotube (CNT) composites and MoO(3) nanobelt/CNT composites are selected as the anode and the cathode materials of the devices, respectively. The ASC has a high volumetric capacitance of 50.2 F cm(-3) at a scan rate of 2 mV s(-1) and a high operation voltage window of 2.0 V. Especially, after a middle layer with an inner-connection structure was inserted between the anode and the cathode, the output voltage of the whole device can achieve 4.0 V. The full cell of series ASCs (SASC) with an inner-connection middle layer has a high energy density of 28.6 mW h cm(-3) at a power density of 261.4 mW cm(-3), and exhibits excellent cycling performance of 99.6% capacitance retention over 10,000 cycles. This strategy of designing the hybridized structure for SASCs provides a promising route for next-generation SCs with high energy density and high output voltage.

  4. Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

    PubMed

    Stoyanova, Alexandrina; Teale, Andrew M; Toulouse, Julien; Helgaker, Trygve; Fromager, Emmanuel

    2013-10-07

    The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new decomposition of the short-range exchange-correlation energy relies on the auxiliary long-range interacting wavefunction rather than the Kohn-Sham (KS) determinant. The advantage, relative to the traditional KS decomposition, is that the wavefunction part of the energy is now computed with the regular (fully interacting) Hamiltonian. One potential drawback is that, because of double counting, the wavefunction used to compute the energy cannot be obtained by minimizing the energy expression with respect to the wavefunction parameters. The problem is overcome by using short-range optimized effective potentials (OEPs). The resulting combination of OEP techniques with wavefunction theory has been investigated in this work, at the Hartree-Fock (HF) and multi-configuration self-consistent-field (MCSCF) levels. In the HF case, an analytical expression for the energy gradient has been derived and implemented. Calculations have been performed within the short-range local density approximation on H2, N2, Li2, and H2O. Significant improvements in binding energies are obtained with the new decomposition of the short-range energy. The importance of optimizing the short-range OEP at the MCSCF level when static correlation becomes significant has also been demonstrated for H2, using a finite-difference gradient. The implementation of the analytical gradient for MCSCF wavefunctions is currently in progress.

  5. “Ni-Less” Cathodes for High Energy Density, Intermediate Temperature Na-NiCl 2 Batteries

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

    Chang, Hee-Jung; Lu, Xiaochuan; Bonnett, Jeffery F.

    Among various battery technologies being considered for stationary energy storage applications, sodium-metal halide (Na-MH) batteries have become one of the most attractive candidates because of the abundance of raw materials, long cycle life, high energy density, and superior safety. However, one of issues limiting its practical application is the relatively expensive nickel (Ni) used in the cathode. In the present work, we focus on of efforts to develop new Ni-based cathodes, and demonstrate that a much higher specific energy density of 405 Wh/kg (23% higher than state-of-the-art Na-MH batteries) can be achieved at an operating temperature of 190oC. Furthermore, 15%more » less Ni is used in the new cathode than that in conventional Na-NiCl2 batteries. Long-term cycling tests also show stable electrochemical performance for over 300 cycles with excellent capacity retention (~100%). The results in this work indicate that these advances can significantly reduce the raw material cost associated with Ni (a 31% reduction) and promote practical applications of Na-MH battery technologies in stationary energy storage systems.« less

  6. Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling.

    PubMed

    Borgoo, Alex; Teale, Andrew M; Tozer, David J

    2012-01-21

    Correlated electron densities, experimental ionisation potentials, and experimental electron affinities are used to investigate the homogeneity of the exchange-correlation and non-interacting kinetic energy functionals of Kohn-Sham density functional theory under density scaling. Results are presented for atoms and small molecules, paying attention to the influence of the integer discontinuity and the choice of the electron affinity. For the exchange-correlation functional, effective homogeneities are highly system-dependent on either side of the integer discontinuity. By contrast, the average homogeneity-associated with the potential that averages over the discontinuity-is generally close to 4/3 when the discontinuity is computed using positive affinities for systems that do bind an excess electron and negative affinities for those that do not. The proximity to 4/3 becomes increasingly pronounced with increasing atomic number. Evaluating the discontinuity using a zero affinity in systems that do not bind an excess electron instead leads to effective homogeneities on the electron abundant side that are close to 4/3. For the non-interacting kinetic energy functional, the effective homogeneities are less system-dependent and the effect of the integer discontinuity is less pronounced. Average values are uniformly below 5/3. The study provides information that may aid the development of improved exchange-correlation and non-interacting kinetic energy functionals. © 2012 American Institute of Physics

  7. High-Energy-Density-Physics Studies for Inertial Confinement Fusion Applications

    NASA Astrophysics Data System (ADS)

    Hu, S. X.

    2017-10-01

    Accurate knowledge of the static, transport, and optical properties of high-energy-density (HED) plasmas is essential for reliably designing and understanding inertial confinement fusion (ICF) implosions. In the warm-dense-matter regime routinely accessed by low-adiabat ICF implosions, many-body strong-coupling and quantum electron degeneracy effects play an important role in determining plasma properties. The past several years have witnessed intense efforts to assess the importance of the microphysics of ICF targets, both theoretically and experimentally. On the theory side, first-principles methods based on quantum mechanics have been applied to investigate the properties of warm, dense plasmas. Specifically, self-consistent investigations have recently been performed on the equation of state, thermal conductivity, and opacity of a variety of ICF ablators such as polystyrene (CH), beryllium, carbon, and silicon over a wide range of densities and temperatures. In this talk, we will focus on the most-recent progress on these ab initio HED physics studies, which generally result in favorable comparisons with experiments. Upon incorporation into hydrocodes for ICF simulations, these first-principles ablator-plasma properties have produced significant differences over traditional models in predicting 1-D target performance of ICF implosions on OMEGA and direct-drive-ignition designs for the National Ignition Facility. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944. *In collaboration with L. A. Collins, T. R. Boehly, G. W. Collins, J. D. Kress, and V. N. Goncharov.

  8. Effect of gamma irradiation on viscosity reduction of cereal porridges for improving energy density

    NASA Astrophysics Data System (ADS)

    Lee, Ju-Woon; Kim, Jae-Hun; Oh, Sang-Hee; Byun, Eui-Hong; Yook, Hong-Sun; Kim, Mee-Ree; Kim, Kwan-Soo; Byun, Myung-Woo

    2008-03-01

    Cereal porridges have low energy and nutrient density because of its viscosity. The objective of the present study was to evaluate the effect of irradiation on the reduction of viscosity and on the increasing solid content of cereal porridge. Four cereals, wheat, rice, maize (the normal starchy type) and waxy rice, were used in this study. The porridge with 3000 cP was individually prepared from cereal flour, gamma-irradiated at 20 kGy and tested. Gamma irradiation of 20 kGy was allowed that the high viscous and rigid cereal porridges turned into semi-liquid consistencies. The solid contents of all porridges could increase by irradiation, compared with non-irradiated ones. No significant differences of starch digestibility were observed in all cereal porridge samples. The results indicated that gamma irradiation might be helpful for improving energy density of cereal porridge with acceptable consistency.

  9. A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.

    PubMed

    Rohrdanz, Mary A; Martins, Katie M; Herbert, John M

    2009-02-07

    We introduce a hybrid density functional that asymptotically incorporates full Hartree-Fock exchange, based on the long-range-corrected exchange-hole model of Henderson et al. [J. Chem. Phys. 128, 194105 (2008)]. The performance of this functional, for ground-state properties and for vertical excitation energies within time-dependent density functional theory, is systematically evaluated, and optimal values are determined for the range-separation parameter, omega, and for the fraction of short-range Hartree-Fock exchange. We denote the new functional as LRC-omegaPBEh, since it reduces to the standard PBEh hybrid functional (also known as PBE0 or PBE1PBE) for a certain choice of its two parameters. Upon optimization of these parameters against a set of ground- and excited-state benchmarks, the LRC-omegaPBEh functional fulfills three important requirements: (i) It outperforms the PBEh hybrid functional for ground-state atomization energies and reaction barrier heights; (ii) it yields statistical errors comparable to PBEh for valence excitation energies in both small and medium-sized molecules; and (iii) its performance for charge-transfer excitations is comparable to its performance for valence excitations. LRC-omegaPBEh, with the parameters determined herein, is the first density functional that satisfies all three criteria. Notably, short-range Hartree-Fock exchange appears to be necessary in order to obtain accurate ground-state properties and vertical excitation energies using the same value of omega.

  10. High energy storage density over a broad temperature range in sodium bismuth titanate-based lead-free ceramics.

    PubMed

    Yang, Haibo; Yan, Fei; Lin, Ying; Wang, Tong; Wang, Fen

    2017-08-18

    A series of (1-x)Bi 0.48 La 0.02 Na 0.48 Li 0.02 Ti 0.98 Zr 0.02 O 3 -xNa 0.73 Bi 0.09 NbO 3 ((1-x)LLBNTZ-xNBN) (x = 0-0.14) ceramics were designed and fabricated using the conventional solid-state sintering method. The phase structure, microstructure, dielectric, ferroelectric and energy storage properties of the ceramics were systematically investigated. The results indicate that the addition of Na 0.73 Bi 0.09 NbO 3 (NBN) could decrease the remnant polarization (P r ) and improve the temperature stability of dielectric constant obviously. The working temperature range satisfying TCC 150  °C  ≤±15% of this work spans over 400 °C with the compositions of x ≥ 0.06. The maximum energy storage density can be obtained for the sample with x = 0.10 at room temperature, with an energy storage density of 2.04 J/cm 3 at 178 kV/cm. In addition, the (1-x)LLBNTZ-xNBN ceramics exhibit excellent energy storage properties over a wide temperature range from room temperature to 90 °C. The values of energy storage density and energy storage efficiency is 0.91 J/cm 3 and 79.51%, respectively, for the 0.90LLBNTZ-0.10NBN ceramic at the condition of 100 kV/cm and 90 °C. It can be concluded that the (1-x)LLBNTZ-xNBN ceramics are promising lead-free candidate materials for energy storage devices over a broad temperature range.

  11. High Energy Density Li-ion Cells for EV’s Based on Novel, High Voltage Cathode Material Systems

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

    Kepler, Keith D.; Slater, Michael

    This Li-ion cell technology development project had three objectives: to develop advanced electrode materials and cell components to enable stable high-voltage operation; to design and demonstrate a Li-ion cell using these materials that meets the PHEV40 performance targets; and to design and demonstrate a Li-ion cell using these materials that meets the EV performance targets. The major challenge to creating stable high energy cells with long cycle life is system integration. Although materials that can give high energy cells are known, stabilizing them towards long-term cycling in the presence of other novel cell components is a major challenge. The majormore » technical barriers addressed by this work include low cathode specific energy, poor electrolyte stability during high voltage operation, and insufficient capacity retention during deep discharge for Si-containing anodes. Through the course of this project, Farasis was able to improve capacity retention of NCM materials for 4.4+ V operation, through both surface treatment and bulk-doping approaches. Other material advances include increased rate capability and of HE-NCM materials through novel synthesis approach, doubling the relative capacity at 1C over materials synthesized using standard methods. Silicon active materials proved challenging throughout the project and ultimately were the limiting factor in the energy density vs. cycle life trade off. By avoiding silicon anodes for the lower energy PHEV design, we manufactured cells with intermediate energy density and long cycle life under high voltage operation for PHEV applications. Cells with high energy density for EV applications were manufactured targeting a 300 Wh/kg design and were able to achieve > 200 cycles.« less

  12. Rare isotope accelerator project in Korea and its application to high energy density sciences

    NASA Astrophysics Data System (ADS)

    Chung, M.; Chung, Y. S.; Kim, S. K.; Lee, B. J.; Hoffmann, D. H. H.

    2014-01-01

    As a national science project, the Korean government has recently established the Institute for Basic Science (IBS) with the goal of conducting world-class research in basic sciences. One of the core facilities for the IBS will be the rare isotope accelerator which can produce high-intensity rare isotope beams to investigate the fundamental properties of nature, and also to support a broad research program in material sciences, medical and biosciences, and future nuclear energy technologies. The construction of the accelerator is scheduled to be completed by approximately 2017. The design of the accelerator complex is optimized to deliver high average beam current on targets, and to maximize the production of rare isotope beams through the simultaneous use of Isotope Separation On-Line (ISOL) and In-Flight Fragmentation (IFF) methods. The proposed accelerator is, however, not optimal for high energy density science, which usually requires very high peak currents on the target. In this study, we present possible beam-plasma experiments that can be done within the scope of the current accelerator design, and we also investigate possible future extension paths that may enable high energy density science with intense pulsed heavy ion beams.

  13. Identifying high energy density stream-reaches through refined geospatial resolution in hydropower resource assessment

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

    Pasha, M. Fayzul K.; Yang, Majntxov; Yeasmin, Dilruba

    Benefited from the rapid development of multiple geospatial data sets on topography, hydrology, and existing energy-water infrastructures, the reconnaissance level hydropower resource assessment can now be conducted using geospatial models in all regions of the US. Furthermore, the updated techniques can be used to estimate the total undeveloped hydropower potential across all regions, and may eventually help identify further hydropower opportunities that were previously overlooked. To enhance the characterization of higher energy density stream-reaches, this paper explored the sensitivity of geospatial resolution on the identification of hydropower stream-reaches using the geospatial merit matrix based hydropower resource assessment (GMM-HRA) model. GMM-HRAmore » model simulation was conducted with eight different spatial resolutions on six U.S. Geological Survey (USGS) 8-digit hydrologic units (HUC8) located at three different terrains; Flat, Mild, and Steep. The results showed that more hydropower potential from higher energy density stream-reaches can be identified with increasing spatial resolution. Both Flat and Mild terrains exhibited lower impacts compared to the Steep terrain. Consequently, greater attention should be applied when selecting the discretization resolution for hydropower resource assessments in the future study.« less

  14. Identifying high energy density stream-reaches through refined geospatial resolution in hydropower resource assessment

    DOE PAGES

    Pasha, M. Fayzul K.; Yang, Majntxov; Yeasmin, Dilruba; ...

    2016-01-07

    Benefited from the rapid development of multiple geospatial data sets on topography, hydrology, and existing energy-water infrastructures, the reconnaissance level hydropower resource assessment can now be conducted using geospatial models in all regions of the US. Furthermore, the updated techniques can be used to estimate the total undeveloped hydropower potential across all regions, and may eventually help identify further hydropower opportunities that were previously overlooked. To enhance the characterization of higher energy density stream-reaches, this paper explored the sensitivity of geospatial resolution on the identification of hydropower stream-reaches using the geospatial merit matrix based hydropower resource assessment (GMM-HRA) model. GMM-HRAmore » model simulation was conducted with eight different spatial resolutions on six U.S. Geological Survey (USGS) 8-digit hydrologic units (HUC8) located at three different terrains; Flat, Mild, and Steep. The results showed that more hydropower potential from higher energy density stream-reaches can be identified with increasing spatial resolution. Both Flat and Mild terrains exhibited lower impacts compared to the Steep terrain. Consequently, greater attention should be applied when selecting the discretization resolution for hydropower resource assessments in the future study.« less

  15. Stacking faults density driven collapse of magnetic energy in hcp-cobalt nano-magnets

    NASA Astrophysics Data System (ADS)

    Nong, H. T. T.; Mrad, K.; Schoenstein, F.; Piquemal, J.-Y.; Jouini, N.; Leridon, B.; Mercone, S.

    2017-06-01

    Cobalt nanowires with different shape parameters were synthesized via the polyol process. By calculating the magnetic energy product (BH max) both for dried nano-powder and for nanowires in their synthesis solution, we observed unexpected independent BH max values from the nanowires shape. A good alignment of the nanowires leads to a higher BH max value. Our results show that the key parameter driving the magnetic energy product of the cobalt nanowires is the stacking fault density. An exponential collapse of the magnetic energy is observed at very low percentage of structural faults. Cobalt nanowires with almost perfect hcp crystalline structures should present high magnetic energy, which is promising for application in rare earth-free permanent magnets. Oral talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

  16. MATADOR: Mars Atmosphere Tempeature And Density Orbiting Radiometer

    NASA Astrophysics Data System (ADS)

    Mlynczak, M. G.; Johnson, D. G.; Brown, S.; Esplin, R.; Miller, J.

    2006-12-01

    We describe a new instrument designed to observe the temperature, pressure, density, and composition of the Martian atmosphere with unprecedented accuracy and precision. The MATADOR instrument is a 12-channel limb scanning infrared radiometer and is an improved design based upon the highly successful Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument that has now achieved five years of operation in Earth orbit on the NASA TIMED mission. The twelve discrete MATADOR channels span a wavelength range from 1.27 um to 22.2 um. The focal plane is cooled by a small mechanical cryocooler. The mass of the instrument is approximately one-half that of the SABER-TIMED instrument. MATADOR is more than twice as sensitive as the SABER instrument. In addition to temperature and density, MATADOR will also provide vertical profiles of dust opacity (at several wavelengths), water vapor, water ice, carbon monoxide, carbon dioxide, and ozone. The instrument design and anticipated performance are reviewed, along with detailed simulations of the retrievals of Martian atmospheric composition.

  17. Observation of finite-wavelength screening in high-energy-density matter

    DOE PAGES

    Chapman, D. A.; Vorberger, J.; Fletcher, L. B.; ...

    2015-04-23

    A key component for the description of charged particle systems is the screening of the Coulomb interaction between charge carriers. First investigated in the 1920s by Debye and Hückel for electrolytes, charge screening is important for determining the structural and transport properties of matter as diverse as astrophysical and laboratory plasmas, nuclear matter such as quark-gluon plasmas, electrons in solids, planetary cores and charged macromolecules. For systems with negligible dynamics, screening is still mostly described using a Debye–Hückel-type approach. Here, we report the novel observation of a significant departure from the Debye–Hückel-type model in high-energy-density matter by probing laser-driven, shock-compressedmore » plastic with high-energy X-rays. We use spectrally resolved X-ray scattering in a geometry that enables direct investigation of the screening cloud, and demonstrate that the observed elastic scattering amplitude is only well described within a more general approach.« less

  18. 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.

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

    PubMed

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

    2017-04-01

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

  20. Validation of a turbulent Kelvin-Helmholtz shear layer model using a high-energy-density OMEGA laser experiment.

    PubMed

    Hurricane, O A; Smalyuk, V A; Raman, K; Schilling, O; Hansen, J F; Langstaff, G; Martinez, D; Park, H-S; Remington, B A; Robey, H F; Greenough, J A; Wallace, R; Di Stefano, C A; Drake, R P; Marion, D; Krauland, C M; Kuranz, C C

    2012-10-12

    Following the successful demonstration of an OMEGA laser-driven platform for generating and studying nearly two-dimensional unstable plasma shear layers [Hurricane et al., Phys. Plasmas 16, 056305 (2009); Harding et al., Phys. Rev. Lett. 103, 045005 (2009)], this Letter reports on the first quantitative measurement of turbulent mixing in a high-energy-density plasma. As a blast wave moves parallel to an unperturbed interface between a low-density foam and a high-density plastic, baroclinic vorticity is deposited at the interface and a Kelvin-Helmholtz instability-driven turbulent mixing layer is created in the postshock flow due to surface roughness. The spatial scale and density profile of the turbulent layer are diagnosed using x-ray radiography with sufficiently small uncertainty so that the data can be used to ~0.17 μm) in the postshock plasma flow are consistent with an "inertial subrange," within which a Kolmogorov turbulent energy cascade can be active. An illustration of comparing the data set with the predictions of a two-equation turbulence model in the ares radiation hydrodynamics code is also presented.

  1. Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene

    NASA Astrophysics Data System (ADS)

    Sand, Andrew M.; Truhlar, Donald G.; Gagliardi, Laura

    2017-01-01

    The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.

  2. Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene.

    PubMed

    Sand, Andrew M; Truhlar, Donald G; Gagliardi, Laura

    2017-01-21

    The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H 2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.

  3. Carbon nanofibers with radially grown graphene sheets derived from electrospinning for aqueous supercapacitors with high working voltage and energy density

    NASA Astrophysics Data System (ADS)

    Zhao, Lei; Qiu, Yejun; Yu, Jie; Deng, Xianyu; Dai, Chenglong; Bai, Xuedong

    2013-05-01

    Improvement of energy density is an urgent task for developing advanced supercapacitors. In this paper, aqueous supercapacitors with high voltage of 1.8 V and energy density of 29.1 W h kg-1 were fabricated based on carbon nanofibers (CNFs) and Na2SO4 electrolyte. The CNFs with radially grown graphene sheets (GSs) and small average diameter down to 11 nm were prepared by electrospinning and carbonization in NH3. The radially grown GSs contain between 1 and a few atomic layers with their edges exposed on the surface. The CNFs are doped with nitrogen and oxygen with different concentrations depending on the carbonizing temperature. The supercapacitors exhibit excellent cycling performance with the capacity retention over 93.7% after 5000 charging-discharging cycles. The unique structure, possessing radially grown GSs, small diameter, and heteroatom doping of the CNFs, and application of neutral electrolyte account for the high voltage and energy density of the present supercapacitors. The present supercapacitors are of high promise for practical application due to the high energy density and the advantages of neutral electrolyte including low cost, safety, low corrosivity, and convenient assembly in air.

  4. Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies

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

    Podeszwa, Rafal; Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716; Szalewicz, Krzysztof

    2012-04-28

    Density-functional theory (DFT) revolutionized the ability of computational quantum mechanics to describe properties of matter and is by far the most often used method. However, all the standard variants of DFT fail to predict intermolecular interaction energies. In recent years, a number of ways to go around this problem has been proposed. We show that some of these approaches can reproduce interaction energies with median errors of only about 5% in the complete range of intermolecular configurations. Such errors are comparable to typical uncertainties of wave-function-based methods in practical applications. Thus, these DFT methods are expected to find broad applicationsmore » in modelling of condensed phases and of biomolecules.« less

  5. Extragalactic High-energy Transients: Event Rate Densities and Luminosity Functions

    NASA Astrophysics Data System (ADS)

    Sun, Hui; Zhang, Bing; Li, Zhuo

    2015-10-01

    Several types of extragalactic high-energy transients have been discovered, which include high-luminosity and low-luminosity long-duration gamma-ray bursts (GRBs), short-duration GRBs, supernova shock breakouts (SBOs), and tidal disruption events (TDEs) without or with an associated relativistic jet. In this paper, we apply a unified method to systematically study the redshift-dependent event rate densities and the global luminosity functions (GLFs; ignoring redshift evolution) of these transients. We introduce some empirical formulae for the redshift-dependent event rate densities for different types of transients and derive the local specific event rate density, which also represents its GLF. Long GRBs (LGRBs) have a large enough sample to reveal features in the GLF, which is best charaterized as a triple power law (PL). All the other transients are consistent with having a single-power-law (SPL) LF. The total event rate density depends on the minimum luminosity, and we obtain the following values in units of Gpc-3 yr-1: {0.8}-0.1+0.1 for high-luminosity LGRBs above 1050 erg s-1 {164}-65+98 for low-luminosity LGRBs above 5 × 1046 erg s-1 {1.3}-0.3+0.4, {1.2}-0.3+0.4, and {3.3}-0.8+1.0 above 1050 erg s-1 for short GRBs with three different merger delay models (Gaussian, lognormal, and PL); {1.9}-1.2+2.4× {10}4 above 1044 erg s-1 for SBOs, {4.8}-2.1+3.2× {10}2 for normal TDEs above 1044 erg s-1 and {0.03}-0.02+0.04 above 1048 erg s-1 for TDE jets as discovered by Swift. Intriguingly, the GLFs of different kinds of transients, which cover over 12 orders of magnitude, are consistent with an SPL with an index of -1.6.

  6. Synthesis of Three-Dimensional Nanoporous Li-Rich Layered Cathode Oxides for High Volumetric and Power Energy Density Lithium-Ion Batteries.

    PubMed

    Qiu, Bao; Yin, Chong; Xia, Yonggao; Liu, Zhaoping

    2017-02-01

    As rechargeable Li-ion batteries have expanded their applications into on-board energy storage for electric vehicles, the energy and power must be increased to meet the new demands. Li-rich layered oxides are one of the most promising candidate materials; however, it is very difficult to make them compatible with high volumetric energy density and power density. Here, we develop an innovative approach to synthesize three-dimensional (3D) nanoporous Li-rich layered oxides Li[Li 0.144 Ni 0.136 Co 0.136 Mn 0.544 ]O 2 , directly occurring at deep chemical delithiation with carbon dioxide. It is found that the as-prepared material presents a micrometer-sized spherical structure that is typically composed of interconnected nanosized subunits with narrow distributed pores at 3.6 nm. As a result, this unique 3D micro-/nanostructure not only has a high tap density over 2.20 g cm -3 but also exhibits excellent rate capability (197.6 mA h g -1 at 1250 mA g -1 ) as an electrode. The excellent electrochemical performance is ascribed to the unique nanoporous micro-nanostructures, which facilitates the Li + diffusion and enhances the structural stability of the Li-rich layered cathode materials. Our work offers a comprehensive designing strategy to construct 3D nanoporous Li-rich layered oxides for both high volumetric energy density and power density in Li-ion batteries.

  7. 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.

  8. Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

    NASA Astrophysics Data System (ADS)

    Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

    2018-05-01

    Orbital-free density functional theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system size. However, the OF-DFT accuracy strongly depends on the approximation made for the kinetic energy (KE) functional. To date, the most accurate KE functionals are nonlocal functionals based on the linear-response kernel of the homogeneous electron gas, i.e., the jellium model. Here, we use the linear-response kernel of the jellium-with-gap model to construct a simple nonlocal KE functional (named KGAP) which depends on the band-gap energy. In the limit of vanishing energy gap (i.e., in the case of metals), the KGAP is equivalent to the Smargiassi-Madden (SM) functional, which is accurate for metals. For a series of semiconductors (with different energy gaps), the KGAP performs much better than SM, and results are close to the state-of-the-art functionals with sophisticated density-dependent kernels.

  9. Development of optics for x-ray phase-contrast imaging of high energy density plasmas.

    PubMed

    Stutman, D; Finkenthal, M; Moldovan, N

    2010-10-01

    Phase-contrast or refraction-enhanced x-ray radiography can be useful for the diagnostic of low-Z high energy density plasmas, such as imploding inertial confinement fusion (ICF) pellets, due to its sensitivity to density gradients. To separate and quantify the absorption and refraction contributions to x-ray images, methods based on microperiodic optics, such as shearing interferometry, can be used. To enable applying such methods with the energetic x rays needed for ICF radiography, we investigate a new type of optics consisting of grazing incidence microperiodic mirrors. Using such mirrors, efficient phase-contrast imaging systems could be built for energies up to ∼100 keV. In addition, a simple lithographic method is proposed for the production of the microperiodic x-ray mirrors based on the difference in the total reflection between a low-Z substrate and a high-Z film. Prototype mirrors fabricated with this method show promising characteristics in laboratory tests.

  10. Total photoelectron yield spectroscopy of energy distribution of electronic states density at GaN surface and SiO2/GaN interface

    NASA Astrophysics Data System (ADS)

    Ohta, Akio; Truyen, Nguyen Xuan; Fujimura, Nobuyuki; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

    2018-06-01

    The energy distribution of the electronic state density of wet-cleaned epitaxial GaN surfaces and SiO2/GaN structures has been studied by total photoelectron yield spectroscopy (PYS). By X-ray photoelectron spectroscopy (XPS) analysis, the energy band diagram for a wet-cleaned epitaxial GaN surface such as the energy level of the valence band top and electron affinity has been determined to obtain a better understanding of the measured PYS signals. The electronic state density of GaN surface with different carrier concentrations in the energy region corresponding to the GaN bandgap has been evaluated. Also, the interface defect state density of SiO2/GaN structures was also estimated by not only PYS analysis but also capacitance–voltage (C–V) characteristics. We have demonstrated that PYS analysis enables the evaluation of defect state density filled with electrons at the SiO2/GaN interface in the energy region corresponding to the GaN midgap, which is difficult to estimate by C–V measurement of MOS capacitors.

  11. Curvature and frontier orbital energies in density functional theory

    NASA Astrophysics Data System (ADS)

    Kronik, Leeor; Stein, Tamar; Autschbach, Jochen; Govind, Niranjan; Baer, Roi

    2013-03-01

    Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus particle number is a series of linear segments between integer electron points; (ii) Across an integer number of electrons, the exchange-correlation potential may ``jump'' by a constant, known as the derivative discontinuity (DD). Here, we show analytically that in both the original and the generalized Kohn-Sham formulation of DFT, the two are in fact two sides of the same coin. Absence of a derivative discontinuity necessitates deviation from piecewise linearity, and the latter can be used to correct for the former, thereby restoring the physical meaning of the orbital energies. Using selected small molecules, we show that this results in a simple correction scheme for any underlying functional, including semi-local and hybrid functionals as well as Hartree-Fock theory, suggesting a practical correction for the infamous gap problem of DFT. Moreover, we show that optimally-tuned range-separated hybrid functionals can inherently minimize both DD and curvature, thus requiring no correction, and show that this can be used as a sound theoretical basis for novel tuning strategies.

  12. 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%.

  13. Modeling of Materials for Energy Storage: A Challenge for Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Kaltak, Merzuk; Fernandez-Serra, Marivi; Hybertsen, Mark S.

    Hollandite α-MnO2 is a promising material for rechargeable batteries and is studied extensively in the community because of its interesting tunnel structure and the corresponding large capacity for lithium as well as sodium ions. However, the presence of partially reduced Mn ions due to doping with Ag or during lithiation makes hollandite a challenging system for density functional theory and the conventionally employed PBE+U method. A naive attempt to model the ternary system LixAgyMnO2 with density functionals, similar to those employed for the case y = 0 , fails and predicts a strong monoclinic distortion of the experimentally observed tetragonal unit cell for Ag2Mn8O16. Structure and binding energies are compared with experimental data and show the importance of van der Waals interactions as well as the necessity for an accurate description of the cooperative Jan-Teller effects for silver hollandite AgyMnO2. Based on these observations a ternary phase diagram is calculated allowing to predict the physical and chemical properties of LixAgyMnO2, such as stable stoichiometries, open circuit voltages, the formation of Ag metal and the structural change during lithiation. Department of Energy (DOE) under award #DE-SC0012673.

  14. 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.

  15. Synchronic inverse seasonal rhythmus of energy density of food intake and sleep quality: a contribution to chrono-nutrition from a Polish adult population.

    PubMed

    Stelmach-Mardas, M; Iqbal, K; Mardas, M; Schwingshackl, L; Walkowiak, J; Tower, R J; Boeing, H

    2017-06-01

    There is evidence which suggests that sleep behavior and dietary intake are interlinked. Thus, we investigated whether a seasonal rhythm in food-energy density exists, and how this relates to quality of sleep. Two hundred and thirty adult volunteers were investigated across the four seasons. Anthropometrical measurements were obtained and The Pittsburgh Sleep Quality Index was used for an assessment of sleep quality and disturbances. The dietary intake was evaluated using a 24 h dietary recall. Generalized estimating equations were used to estimate seasonal changes in energy density and sleep quality, as well as the association of energy density with sleep quality. All analyses were adjusted for age, sex, education, occupation and shift-work. Mean food energy density was significantly higher in winter as compared with other seasons (P<0.05), although no seasonal variations were observed in macronutrient intake (fat and protein). Overall, the sleep quality was low (score value >5) in all seasons, with the lowest quality occurring in winter and the highest in spring (P<0.05). The components of sleep quality score showed that winter had statistically (P<0.05) poorer subjective sleep quality, sleep latency and sleep disturbances, but lower daytime dysfunction compared with spring and summer. After adjusting for seasonal effects (correlated outcome data) and shift-work, energy density was found to be inversely associated (P<0.0001) with sleep quality. An inverse association between seasonal fluctuation of food energy density and sleep quality was found with winter time, associated with the intake of higher energy dense food products and the lowest sleep quality.

  16. Fabrication and demonstration of high energy density lithium ion microbatteries

    NASA Astrophysics Data System (ADS)

    Sun, Ke

    density on a limited footprint area. In chapter 4, Li-ion batteries based on the LiMn2O4-TiP 2O7 couple are manufactured on flexible paper substrates; where the use of light-weight paper substrates significantly increase the gravimetric energy density of this electrode couple as compared to traditional metal current collectors. In chapter 5, a novel nanowire growth mechanism will be explored to grow interdigitated metal oxide nanowire micro battery electrodes. The growth kinetics of this mechanism is systematically studied to understand how to optimize the growth process to produce electrodes with improved electrochemical properties.

  17. KASCADE-Grande energy reconstruction based on the lateral density distribution using the QGSJet-II.04 interaction model

    NASA Astrophysics Data System (ADS)

    Gherghel-Lascu, A.; Apel, W. D.; Arteaga-Velázquez, J. C.; Bekk, K.; Bertania, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Fuhrmann, D.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huber, D.; Huege, T.; Kampert, K.-H.; Kang, D.; Klages, H. O.; Link, K.; Łuczak, P.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Mitrica, B.; Morello, C.; Oehlschläger, J.; Ostapchenko, S.; Palmieri, N.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Zabierowski, J.

    2017-06-01

    The charged particle densities obtained from CORSIKA simulated EAS, using the QGSJet-II.04 hadronic interaction model are used for primary energy reconstruction. Simulated data are reconstructed by using Lateral Energy Correction Functions computed with a new realistic model of the Grande stations implemented in Geant4.10.

  18. Exchange Energy Density Functionals that reproduce the Linear Response Function of the Free Electron Gas

    NASA Astrophysics Data System (ADS)

    García-Aldea, David; Alvarellos, J. E.

    2009-03-01

    We present several nonlocal exchange energy density functionals that reproduce the linear response function of the free electron gas. These nonlocal functionals are constructed following a similar procedure used previously for nonlocal kinetic energy density functionals by Chac'on-Alvarellos-Tarazona, Garc'ia-Gonz'alez et al., Wang-Govind-Carter and Garc'ia-Aldea-Alvarellos. The exchange response function is not known but we have used the approximate response function developed by Utsumi and Ichimaru, even we must remark that the same ansatz can be used to reproduce any other response function with the same scaling properties. We have developed two families of new nonlocal functionals: one is constructed with a mathematical structure based on the LDA approximation -- the Dirac functional for the exchange - and for the second one the structure of the second order gradient expansion approximation is took as a model. The functionals are constructed is such a way that they can be used in localized systems (using real space calculations) and in extended systems (using the momentum space, and achieving a quasilinear scaling with the system size if a constant reference electron density is defined).

  19. Ford/BASF/UM Activities in Support of the Hydrogen Storage Engineering Center of Excellence

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

    Veenstra, Mike; Purewal, Justin; Xu, Chunchuan

    Widespread adoption of hydrogen as a vehicular fuel depends critically on the development of low-cost, on-board hydrogen storage technologies capable of achieving high energy densities and fast kinetics for hydrogen uptake and release. As present-day technologies -- which rely on physical storage methods such as compressed hydrogen -- are incapable of attaining established Department of Energy (DOE) targets, development of materials-based approaches for storing hydrogen have garnered increasing attention. Material-based storage technologies have potential to store hydrogen beyond twice the density of liquid hydrogen. To hasten development of these ‘hydride’ materials, the DOE previously established three centers of excellence formore » materials storage R&D associated with the key classes of materials: metal hydrides, chemical hydrogen, and adsorbents. While these centers made progress in identifying new storage materials, the challenges associated with the engineering of the system around a candidate storage material are in need of further advancement. In 2009 the DOE established the Hydrogen Storage Engineering Center of Excellence with the objective of developing innovative engineering concepts for materials-based hydrogen storage systems. As a partner in the Hydrogen Storage Engineering Center of Excellence, the Ford-UM-BASF team conducted a multi-faceted research program that addresses key engineering challenges associated with the development of materials-based hydrogen storage systems. First, we developed a novel framework that allowed for a material-based hydrogen storage system to be modeled and operated within a virtual fuel cell vehicle. This effort resulted in the ability to assess dynamic operating parameters and interactions between the storage system and fuel cell power plant, including the evaluation of performance throughout various drive cycles. Second, we engaged in cost modeling of various incarnations of the storage systems. This analysis

  20. A macroevolutionary explanation for energy equivalence in the scaling of body size and population density.

    PubMed

    Damuth, John

    2007-05-01

    Across a wide array of animal species, mean population densities decline with species body mass such that the rate of energy use of local populations is approximately independent of body size. This "energetic equivalence" is particularly evident when ecological population densities are plotted across several or more orders of magnitude in body mass and is supported by a considerable body of evidence. Nevertheless, interpretation of the data has remained controversial, largely because of the difficulty of explaining the origin and maintenance of such a size-abundance relationship in terms of purely ecological processes. Here I describe results of a simulation model suggesting that an extremely simple mechanism operating over evolutionary time can explain the major features of the empirical data. The model specifies only the size scaling of metabolism and a process where randomly chosen species evolve to take resource energy from other species. This process of energy exchange among particular species is distinct from a random walk of species abundances and creates a situation in which species populations using relatively low amounts of energy at any body size have an elevated extinction risk. Selective extinction of such species rapidly drives size-abundance allometry in faunas toward approximate energetic equivalence and maintains it there.

  1. Systematic analysis of hot Yb* isotopes using the energy density formalism

    NASA Astrophysics Data System (ADS)

    Jain, Deepika; Sharma, Manoj K.; Rajni; Kumar, Raj; Gupta, Raj K.

    2014-10-01

    A systematic study of the spin-orbit density interaction potential is carried out, with spherical as well as deformed choices of nuclei, for a variety of near-symmetric and asymmetric colliding nuclei leading to various isotopes of the compound nucleus Yb*, using the semiclassical extended Thomas-Fermi formulation (ETF) of the Skyrme energy density formalism (SEDF). We observe that the spin-orbit density interaction barrier height ( and barrier position ( increase systematically with the increase in number of neutrons in both the projectile and target, for spherical systems. On allowing deformation effects with optimum orientations, the barrier-height increases by a large order of magnitude, as compared to the spherical case, in going from 156Yb* to 172Yb* nuclear systems formed via near-symmetric Ni+Mo or asymmetric O+Sm colliding nuclei, except that for the oblate-shaped nuclei, the is the highest and shifts towards a smaller (compact) interaction radius. The temperature does not change the behavior of spin-orbit density dependent ( and independent ( interaction potentials, except for some minor changes in the magnitude. The orientation degree of freedom also plays an important role in modifying the barrier characteristics and hence produces a large effect on the fusion cross section. The fusion excitation function of the compound nuclei 160, 164Yb* formed in different incoming channels, show clearly that the new forces GSkI and KDE0v1 respond better than the old SIII force. Among the first two, KDE0v1 seems to perform better. The fusion cross-sections are also predicted for a few other isotopes of Yb*.

  2. Differential heating: A versatile method for thermal conductivity measurements in high-energy-density matter

    DOE PAGES

    Ping, Y.; Fernandez-Panella, A.; Sio, H.; ...

    2015-09-04

    We propose a method for thermal conductivity measurements of high energy density matter based on differential heating. A temperature gradient is created either by surface heating of one material or at an interface between two materials by different energy deposition. The subsequent heat conduction across the temperature gradient is observed by various time-resolved probing techniques. Conceptual designs of such measurements using laser heating, proton heating, and x-ray heating are presented. As a result, the sensitivity of the measurements to thermal conductivity is confirmed by simulations.

  3. Density-ratio effects on buoyancy-driven variable-density turbulent mixing

    NASA Astrophysics Data System (ADS)

    Aslangil, Denis; Livescu, Daniel; Banerjee, Arindam

    2017-11-01

    Density-ratio effects on the turbulent mixing of two incompressible, miscible fluids with different densities subject to constant acceleration are studied by means of high-resolution Direct Numerical Simulations. In a triply periodic domain, turbulence is generated by stirring in response to the differential buoyancy forces within the flow. Later, as the fluids become molecularly mixed, dissipation starts to overcome turbulence generation by bouyancy. Thus, the flow evolution includes both turbulence growth and decay, and it displays features present in the core region of the mixing layer of the Rayleigh-Taylor as well as Richtmyer-Meshkov instabilities. We extend the previous studies by investigating a broad range of density-ratio, from 1-14.4:1, corresponding to Atwood numbers of 0.05-0.87. Here, we focus on the Atwood number dependence of mixing-efficiency, that is defined based on the energy-conversion ratios from potential energy to total and turbulent kinetic energies, the decay characteristics of buoyancy-assisted variable-density homogeneous turbulence, and the effects of high density-ratios on the turbulence structure and mixing process. Authors acknowledge financial support from DOE-SSAA (DE-NA0003195) and NSF CAREER (#1453056) awards.

  4. Rock Fracture Toughness Under Mode II Loading: A Theoretical Model Based on Local Strain Energy Density

    NASA Astrophysics Data System (ADS)

    Rashidi Moghaddam, M.; Ayatollahi, M. R.; Berto, F.

    2018-01-01

    The values of mode II fracture toughness reported in the literature for several rocks are studied theoretically by using a modified criterion based on strain energy density averaged over a control volume around the crack tip. The modified criterion takes into account the effect of T-stress in addition to the singular terms of stresses/strains. The experimental results are related to mode II fracture tests performed on the semicircular bend and Brazilian disk specimens. There are good agreements between theoretical predictions using the generalized averaged strain energy density criterion and the experimental results. The theoretical results reveal that the value of mode II fracture toughness is affected by the size of control volume around the crack tip and also the magnitude and sign of T-stress.

  5. 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.

  6. The Potential Energy Density in Transverse String Waves Depends Critically on Longitudinal Motion

    ERIC Educational Resources Information Center

    Rowland, David R.

    2011-01-01

    The question of the correct formula for the potential energy density in transverse waves on a taut string continues to attract attention (e.g. Burko 2010 "Eur. J. Phys." 31 L71), and at least three different formulae can be found in the literature, with the classic text by Morse and Feshbach ("Methods of Theoretical Physics" pp 126-127) stating…

  7. Geochemistry of hot springs in the Ie Seu’um hydrothermal areas at Aceh Besar district, Indonesia

    NASA Astrophysics Data System (ADS)

    Idroes, R.; Yusuf, M.; Alatas, M.; Subhan; Lala, A.; Saiful; Suhendra, R.; Idroes, G. M.; Marwan

    2018-03-01

    Indonesia geothermal resources are the largest in the world, about 40 percent of the total geothermal resources worldwide with a potential energy of 28,617 MW. Geothermal energy is one of the renewable energy in the world that can be developed sustainably. This kind of energy is not only environmentally friendly but also highly prospective compared to fossil energy. One of the potential geothermal energy in Indonesia is Seulawah Agam geothermal field with some manifestation areas. The fluid type of Ie Seu’um manifestation was chloride (Cl-) obtained from the ternary diagram Cl--SO4 2--HCO3 -, using UV-Vis spectrophotometry, argentometry and acidimetry method. The reservoir range temperature was 188,7 ± 9,3°C calculated using geothermometer Na-K-Ca, Na-K Fournier and Na-K Giggenbach by applying Atomic Absorption Spectroscopy method. This data processing was carried out using liquid chemistry plotting spreadsheet version 3 powell geoscience Ltd.3 September 2012 by Powell & Cumming. The potential in the geothermal manifestation of Ie Seu’um was estimated about 50-100 MW (medium enthalpy).

  8. Independent and combined effects of eating rate and energy density on energy intake, appetite, and gut hormones.

    PubMed

    Karl, J Philip; Young, Andrew J; Rood, Jennifer C; Montain, Scott J

    2013-03-01

    Energy density (ED) and eating rate (ER) influence energy intake; their combined effects on intake and on postprandial pancreatic and gut hormone responses are undetermined. To determine the combined effects of ED and ER manipulation on voluntary food intake, subjective appetite, and postprandial pancreatic and gut hormone responses. Twenty nonobese volunteers each consumed high (1.6 kcal g(-1) ; HED) and low (1.2 kcal g(-1) ; LED) ED breakfasts slowly (20 g min(-1) ; SR) and quickly (80 g min(-1) ; FR) ad libitum to satiation. Appetite, and pancreatic and gut hormone concentrations were measured periodically over 3 h. Ad libitum energy intake during the subsequent lunch was then measured. Main effects of ED and ER on energy intake and a main effect of ER, but not ED, on mass of food consumed were observed, FR and HED being associated with increased intake (P < 0.05). Across all conditions, energy intake was highest during FR-HED (P ≤ 0.01). Area under the curve (AUC) of appetite ratings was not different between meals. Main effects of ED and ER on insulin, peptide-YY, and glucagon-like peptide-1 AUC (P < 0.05) were observed, FR and HED being associated with larger AUC. No effects on active or total ghrelin AUC were documented. Total energy intake over both meals was highest during the FR-HED trial with the greatest difference between FR-HED and SR-LED trials (P ≤ 0.01). Consuming an energy dense meal quickly compounds independent effects of ER and ED on energy intake. Energy compensation at the following meal may not occur despite altered gut hormone responses. Copyright © 2013 The Obesity Society.

  9. Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

    NASA Astrophysics Data System (ADS)

    Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

    2018-03-01

    The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

  10. Proximate composition and energy density of some North Pacific forage fishes

    USGS Publications Warehouse

    van Pelt, Thomas I.; Piatt, John F.; Lance, Brian K.; Roby, Daniel D.

    1997-01-01

    Mature pelagic forage fish species (capelin, sand lance, squid) had greater lipid concentrations than juvenile age-classes of large demersal and pelagic fish species (walleye pollock, Pacific cod, Atka mackerel, greenling, prowfish, rockfish, sablefish). Myctophids preyed on by puffins have at least twice as much lipid per gram compared to mature capelin, sand lance and squid, and an order of magnitude greater lipid concentrations than juvenile forage fish. Energy density of forage fishes was positively correlated with lipid content, and negatively correlated with water, ash-free lean dry mass (mostly protein), and ash contents.

  11. Ferroelectric Polymers with Ultrahigh Energy Density, Low Loss, and Broad Operation Temperature for Navy Pulse Power Capacitors

    DTIC Science & Technology

    2014-02-01

    by the electron hopping theory in the amorphous material. By further tailoring the molecular structures, meta-aromatic polyurea which possesses a...higher dipolar density than many polyureas reported in the literature has been synthesized. Preliminary experimental results show that an enhanced...dielectric constant and higher energy density can be achieved in the new meta-aromatic polyurea . Technical section; Technical Objective: The objective

  12. Bubbler: A Novel Ultra-High Power Density Energy Harvesting Method Based on Reverse Electrowetting

    PubMed Central

    Hsu, Tsung-Hsing; Manakasettharn, Supone; Taylor, J. Ashley; Krupenkin, Tom

    2015-01-01

    We have proposed and successfully demonstrated a novel approach to direct conversion of mechanical energy into electrical energy using microfluidics. The method combines previously demonstrated reverse electrowetting on dielectric (REWOD) phenomenon with the fast self-oscillating process of bubble growth and collapse. Fast bubble dynamics, used in conjunction with REWOD, provides a possibility to increase the generated power density by over an order of magnitude, as compared to the REWOD alone. This energy conversion approach is particularly well suited for energy harvesting applications and can enable effective coupling to a broad array of mechanical systems including such ubiquitous but difficult to utilize low-frequency energy sources as human and machine motion. The method can be scaled from a single micro cell with 10−6 W output to power cell arrays with a total power output in excess of 10 W. This makes the fabrication of small light-weight energy harvesting devices capable of producing a wide range of power outputs feasible. PMID:26567850

  13. Bubbler: A Novel Ultra-High Power Density Energy Harvesting Method Based on Reverse Electrowetting.

    PubMed

    Hsu, Tsung-Hsing; Manakasettharn, Supone; Taylor, J Ashley; Krupenkin, Tom

    2015-11-16

    We have proposed and successfully demonstrated a novel approach to direct conversion of mechanical energy into electrical energy using microfluidics. The method combines previously demonstrated reverse electrowetting on dielectric (REWOD) phenomenon with the fast self-oscillating process of bubble growth and collapse. Fast bubble dynamics, used in conjunction with REWOD, provides a possibility to increase the generated power density by over an order of magnitude, as compared to the REWOD alone. This energy conversion approach is particularly well suited for energy harvesting applications and can enable effective coupling to a broad array of mechanical systems including such ubiquitous but difficult to utilize low-frequency energy sources as human and machine motion. The method can be scaled from a single micro cell with 10(-6) W output to power cell arrays with a total power output in excess of 10 W. This makes the fabrication of small light-weight energy harvesting devices capable of producing a wide range of power outputs feasible.

  14. The influence of temperature induced phase transition on the energy storage density of anti-ferroelectric ceramics

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

    Yi, Jinqiao; Zhang, Ling; Xie, Bing

    2015-09-28

    Anti-ferroelectric (AFE) composite ceramics of (Pb{sub 0.858}Ba{sub 0.1}La{sub 0.02}Y{sub 0.008})(Zr{sub 0.65}Sn{sub 0.3}Ti{sub 0.05})O{sub 3}-(Pb{sub 0.97}La{sub 0.02})(Zr{sub 0.9}Sn{sub 0.05} Ti{sub 0.05})O{sub 3} (PBLYZST-PLZST) were fabricated by the conventional solid-state sintering process (CS), the glass-aided sintering (GAS), and the spark plasma sintering (SPS), respectively. The influence of the temperature induced phase transition on the phase structure, hysteresis loops, and energy storage properties of the composite ceramics were investigated in detail. The measured results of X-ray diffraction demonstrate that the composite ceramics exhibit the perovskite phases and small amounts of non-functional pyrochlore phases. Compared with the CS process, the GAS and SPS processesmore » are proven more helpful to suppress the diffusion behaviors between the PBLYZST and PLZST phases according to the field emission scanning electron microscopy, thereby being able to improve the contribution of PBLYZST phase to the temperature stability of the orthogonal AFE phase. When the ambient temperature rises from 25 °C to 125 °C, CS and GAS samples have undergone a phase transition from orthorhombic AFE phase to tetragonal AFE phase, which results in a sharp decline in the energy storage density. However, the phase transition temperature of SPS samples is higher than 125 °C, and the energy storage density only slightly decreases due to the disorder of material microstructure caused by the high temperature. As a result, the SPS composite ceramics obtain a recoverable high energy storage density of 6.46 J/cm{sup 3} and the excellent temperature stability of the energy storage density of 1.16 × 10{sup −2} J/°C·cm{sup 3}, which is 1.29 × 10{sup −2} J/°C·cm{sup 3} lower than that of CS samples and about 0.43 times as that of GAS samples.« less

  15. 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

  16. 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

  17. High Energy Density and High Temperature Multilayer Capacitor Films for Electric Vehicle Applications

    NASA Astrophysics Data System (ADS)

    Treufeld, Imre; Song, Michelle; Zhu, Lei; Baer, Eric; Snyder, Joe; Langhe, Deepak

    2015-03-01

    Multilayer films (MLFs) with high energy density and high temperature capability (>120 °C) have been developed at Case Western Reserve University. Such films offer a potential solution for electric car DC-link capacitors, where high ripple currents and high temperature tolerance are required. The current state-of-the-art capacitors used in electric cars for converting DC to AC use biaxially oriented polypropylene (BOPP), which can only operate at temperatures up to 85 °C requiring an external cooling system. The polycarbonate (PC)/poly(vinylidene fluoride) (PVDF) MLFs have a higher permittivity compared to that of BOPP (2.3), leading to higher energy density. They have good mechanical stability and reasonably low dielectric losses at 120 °C. Nonetheless, our preliminary dielectric measurements show that the MLFs exhibit appreciable dielectric losses (20%) at 120 °C, which would, despite all the other advantages, make them not suitable for practical applications. Our preliminary data showed that dielectric losses of the MLFs at 120 °C up to 400 MV/m and 1000 Hz originate mostly from impurity ionic conduction. This work is supported by the NSF PFI/BIC Program (IIP-1237708).

  18. Freestanding Gold/Graphene-Oxide/Manganese Oxide Microsupercapacitor Displaying High Areal Energy Density.

    PubMed

    Morag, Ahiud; Becker, James Y; Jelinek, Raz

    2017-07-10

    Microsupercapacitors are touted as one of the promising "next frontiers" in energy-storage research and applications. Despite their potential, significant challenges still exist in terms of physical properties and electrochemical performance, particularly attaining high energy density, stability, ease of synthesis, and feasibility of large-scale production. We present new freestanding microporous electrodes comprising self-assembled scaffold of gold and reduced graphene oxide (rGO) nanowires coated with MnO 2 . The electrodes exhibited excellent electrochemical characteristics, particularly superior high areal capacitance. Moreover, the freestanding Au/rGO scaffold also served as the current collector, obviating the need for an additional electrode support required in most reported supercapacitors, thus enabling low volume and weight devices with a high overall device specific energy. Stacked symmetrical solid-state supercapacitors were fabricated using the Au/rGO/MnO 2 electrodes in parallel configurations showing the advantage of using freestanding electrodes in the fabrication of low-volume devices. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Hybrid graphene electrodes for supercapacitors of high energy density

    NASA Astrophysics Data System (ADS)

    Zhang, Feifei; Tang, Jie; Shinya, Norio; Qin, Lu-Chang

    2013-10-01

    We describe a process of co-reduction to reduce dispersed graphene oxide (GO) and single-walled carbon nanotubes (SWNTs) simultaneously for preparation of hybrid electrodes for graphene supercapacitors. The SWNTs are in between the inter-layer space of graphene sheets as a spacer to prevent effectively restacking of graphene that often limits seriously the electrochemical performance of graphene supercapacitors. The SWNTs also act as conductive binders to improve the electrical conduction of the electrode. A high specific capacitance of 261 F g-1 for a single electrode and specific energy density of 123 W h kg-1 measured in the two-electrode configuration have been obtained in ionic liquid (EMI-TFSI). For interpretation of color in Fig. 6, the reader is referred to the web version of this article.

  20. Differentiability of energy functionals in spin-density-functional theory

    NASA Astrophysics Data System (ADS)

    Gál, Tamás

    2007-06-01

    Recently, nonuniqueness of external electrostatic and magnetic fields yielding a given many-electron ground state has been pointed out [K. Capelle and G. Vignale, Phys. Rev. Lett. 86, 5546 (2001); H. Eschrig and W. E. Pickett, Solid State Commun. 118, 123 (2001)], implying the nondifferentiability of the ground-state energy functional of spin-density-functional theory (SDFT), on the basis of which the applicability of widely used DFT methods in SDFT has been put into question and the need for a critical reexamination of those applications has been concluded. Here it is shown, for collinear magnetic fields, that the nonuniqueness of the external potentials in SDFT does not imply the nonexistence of number-conserving functional derivatives as well, with the use of which therefore problems arising from the nondifferentiability are avoided.

  1. Higher Dietary Energy Density is Associated with Stunting but not Overweight and Obesity in a Sample of Urban Malaysian Children.

    PubMed

    Shariff, Zalilah Mohd; Lin, Khor Geok; Sariman, Sarina; Siew, Chin Yit; Yusof, Barakatun Nisak Mohd; Mun, Chan Yoke; Lee, Huang Soo; Mohamad, Maznorila

    2016-01-01

    Although diets with high energy density are associated with increased risk of overweight and obesity, it is not known whether such diets are associated with undernutrition. This study assessed the relationship between dietary energy density (ED) and nutritional status of 745 urban 1- to 10-year-old children. Dietary intakes were obtained using food recall and record for two days. Dietary energy density was based on food and caloric beverages. Higher dietary ED was associated with lower intakes of carbohydrate, sugar, vitamins C and D, and calcium but higher fat, fiber, iron, and folate intakes. While intakes of fruits and milk/dairy products decreased, meat, fish, and legume intakes increased with higher dietary ED. Stunting, but not other growth problems, was associated with higher dietary ED. Future studies should confirm the cause-and-effect relationship between higher dietary ED and stunting.

  2. Nitrogen-doped carbon spheres: A new high-energy-density and long-life pseudo-capacitive electrode material for electrochemical flow capacitor.

    PubMed

    Hou, Shujin; Wang, Miao; Xu, Xingtao; Li, Yandong; Li, Yanjiang; Lu, Ting; Pan, Likun

    2017-04-01

    One of the most challenging issues in developing electrochemical flow capacitor (EFC) technology is the design and synthesis of active electrode materials with high energy density and long cycle life. However, in practical cases, the energy density and cycle ability obtained currently cannot meet the practical need. In this work, we propose a new active material, nitrogen-doped carbon spheres (NCSs), as flowable electrodes for EFC application. The NCSs were prepared via one-pot hydrothermal synthesis in the presence of resorcinol/formaldehyde as carbon precursors and melamine as nitrogen precursor, followed by carbonization in nitrogen flow at various temperatures. The results of EFC experiments demonstrate that NCSs obtained at 800°C exhibit a high energy density of 13.5Whkg -1 and an excellent cycle ability, indicating the superiority of NCSs for EFC application. Copyright © 2016 Elsevier Inc. All rights reserved.

  3. Assessment of the impact that the capsule fill tube has on implosions conducted with high density carbon ablators

    NASA Astrophysics Data System (ADS)

    Pak, Arthur; Benedetti, L. R.; Berzak Hopkins, L. F.; Clark, D.; Divol, L.; Dewald, E. L.; Fittinghoff, D.; Izumi, N.; Khan, S. F.; Landen, O.; Lepape, S.; Ma, T.; Marley, E.; Nagel, S.; Volegov, P.; Weber, C.; Bradley, D. K.; Callahan, D.; Grim, G.; Hurricane, O. A.; Patel, P.; Schneider, M. B.; Edwards, M. J.

    2017-10-01

    In recent inertial confinement implosion experiments conducted at the National Ignition Facility, bright and spatially localized x-ray emission within the hot spot at stagnation has been observed. This emission is associated with higher Z ablator material that is injected into the hot spot by the hydrodynamic perturbation induced by the 5-10 um diameter capsule fill tube. The reactivity of the DT fuel and subsequent yield of the implosion are strongly dependent on the density, temperature, and confinement time achieved throughout the stagnation of the implosion. Radiative losses from higher Z ablator material that mixes into the hot spot as well as non-uniformities in the compression and confinement induced by the fill tube perturbation can degrade the yield of the implosion. This work will examine the impact to conditions at stagnation that results from the fill tube perturbation. This assessment will be based from a pair of experiments conducted with a high density carbon ablator where the only deliberate change was reduction in fill tube diameter from 10 to 5 um. An estimate of the radiative losses and impact on performance from ablator mix injected into the hot spot by the fill tube perturbation will be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  4. High Confinement and High Density with Stationary Plasma Energy and Strong Edge Radiation Cooling in Textor-94

    NASA Astrophysics Data System (ADS)

    Messiaen, A. M.

    1996-11-01

    A new discharge regime has been observed on the pumped limiter tokamak TEXTOR-94 in the presence of strong radiation cooling and for different scenarii of additional hearing. The radiated power fraction (up to 90%) is feedback controlled by the amount of Ne seeded in the edge. This regime meets many of the necessary conditions for a future fusion reactor. Energy confinement increases with increasing densities (reminiscent of the Z-mode obtained at ISX-B) and as good as ELM-free H-mode confinement (enhancement factor verus ITERH93-P up to 1.2) is obtained at high densities (up to 1.2 times the Greenwald limit) with peaked density profiles showing a peaking factor of about 2 and central density values around 10^14cm-3. In experiments where the energy content of the discharges is kept constant with an energy feedback loop acting on the amount of ICRH power, stable and stationary discharges are obtained for intervals of more than 5s, i.e. 100 times the energy confinement time or about equal to the skin resistive time, even with the cylindrical q_α as low as 2.8 β-values up to the β-limits of TEXTOR-94 are achieved (i.e. β n ≈ 2 of and β p ≈ 1.5) and the figure of merit for ignition margin f_Hqa in these discharges can be as high as 0.7. No detrimental effects of the seeded impurity on the reactivity of the plasma are observed. He removal in these discharges has also been investigated. [1] Laboratoire de Physique des Plasmas-Laboratorium voor Plasmafysica, Association "EURATOM-Belgian State", Ecole Royale Militaire-Koninklijke Militaire School, Brussels, Belgium [2] Institut für Plasmaphysik, Forschungszentrum Jülich, GmbH, Association "EURATOM-KFA", Jülich, Germany [3] Fusion Energy Research Program, Mechanical Engineering Division, University of California at San Diego, La Jolla, USA [4] FOM Institüt voor Plasmafysica Rijnhuizen, Associatie "FOM-EURATOM", Nieuwegein, The Netherlands [*] Researcher at NFSR, Belgium itemize

  5. Graphene, a material for high temperature devices – intrinsic carrier density, carrier drift velocity, and lattice energy

    PubMed Central

    Yin, Yan; Cheng, Zengguang; Wang, Li; Jin, Kuijuan; Wang, Wenzhong

    2014-01-01

    Heat has always been a killing matter for traditional semiconductor machines. The underlining physical reason is that the intrinsic carrier density of a device made from a traditional semiconductor material increases very fast with a rising temperature. Once reaching a temperature, the density surpasses the chemical doping or gating effect, any p-n junction or transistor made from the semiconductor will fail to function. Here, we measure the intrinsic Fermi level (|EF| = 2.93 kBT) or intrinsic carrier density (nin = 3.87 × 106 cm−2K−2·T2), carrier drift velocity, and G mode phonon energy of graphene devices and their temperature dependencies up to 2400 K. Our results show intrinsic carrier density of graphene is an order of magnitude less sensitive to temperature than those of Si or Ge, and reveal the great potentials of graphene as a material for high temperature devices. We also observe a linear decline of saturation drift velocity with increasing temperature, and identify the temperature coefficients of the intrinsic G mode phonon energy. Above knowledge is vital in understanding the physical phenomena of graphene under high power or high temperature. PMID:25044003

  6. 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

  7. Particle energization in magnetic reconnection in high-energy-density plasmas

    NASA Astrophysics Data System (ADS)

    Deng, W.; Fox, W.; Bhattacharjee, A.

    2014-10-01

    Significant particle energization is inferred to occur in many astrophysical environments and magnetic reconnection has been proposed to be the driver in many cases. Recent observation of magnetic reconnection in high-energy-density (HED) plasmas on the Vulcan, Omega and Shenguang laser facilities has opened up a new regime of reconnection study of great interest to laboratory and plasma astrophysics. In these experiments, plasma bubbles, excited by laser shots on solid targets and carrying magnetic fields, expand into one another, squeezing the opposite magnetic fields together to drive reconnection. 2D particle-in-cell (PIC) simulations have been performed to study the particle energization in such experiments. Two energization mechanisms have been identified. The first is a Fermi acceleration process between the expanding plasma bubbles, wherein the electromagnetic fields of the expanding plasma bounce particles, acting as moving walls. Particles can gain significant energy through multiple bounces between the bubbles. The second mechanism is a subsequent direct acceleration by electric field at the reconnection X-line when the bubbles collide into each other and drive reconnection.

  8. Dietary energy density and successful weight loss maintenance.

    PubMed

    Raynor, Hollie A; Van Walleghen, Emily L; Bachman, Jessica L; Looney, Shannon M; Phelan, Suzanne; Wing, Rena R

    2011-04-01

    Research shows a positive relationship between dietary energy density (ED) and body mass index (BMI), but dietary ED of weight loss maintainers is unknown. This preliminary investigation was a secondary data analysis that compared self-reported dietary ED and food group servings consumed in overweight adults (OW: BMI=27-45kg/m(2)), normal weight adults (NW: BMI=19-24.9 kg/m(2)), and weight loss maintainers (WLM: current BMI=19-24.9kg/m(2) [lost≥10% of maximum body weight and maintained loss for ≥5years]) participating in 2 studies, with data collected from July 2006 to March 2007. Three 24-h phone dietary recalls from 287 participants (OW=97, NW=85, WLM=105) assessed self-reported dietary intake. ED (kcal/g) was calculated by three methods (food+all beverages except water [F+AB], food+caloric beverages [F+CB], and food only [FO]). Differences in self-reported consumption of dietary ED, food group servings, energy, grams of food/beverages, fat, and fiber were assessed using one-way MANCOVA, adjusting for age, sex, and weekly energy expenditure from self-reported physical activity. ED, calculated by all three methods, was significantly lower in WLM than in NW or OW (FO: WLM=1.39±0.45kcal/g; NW=1.60±0.43 kcal/g; OW=1.83±0.42 kcal/g). Self-reported daily servings of vegetables and whole grains consumed were significantly higher in WLM compared to NW and OW (vegetables: WLM=4.9±3.1 servings/day; NW=3.9±2.0 servings/day; OW=3.4±1.7 servings/day; whole grains: WLM=2.2±1.8 servings/day; NW=1.4±1.2 servings/day; OW=1.3±1.3 servings/day). WLM self-reported consuming significantly less energy from fat and more fiber than the other two groups. Self-reported energy intake per day was significantly lower in WLM than OW, and WLM self-reported consuming significantly more grams of food/beverages per day than OW. These preliminary findings suggest that consuming a diet lower in ED, characterized by greater intake of vegetables and whole grains, may aid with weight loss

  9. A stencil printed, high energy density silver oxide battery using a novel photopolymerizable poly(acrylic acid) separator.

    PubMed

    Braam, Kyle; Subramanian, Vivek

    2015-01-27

    A novel photopolymerized poly(acrylic acid) separator is demonstrated in a printed, high-energy-density silver oxide battery. The printed battery demonstrates a high capacity of 5.4 mA h cm(-2) at a discharge current density of 2.75 mA cm(-2) (C/2 rate) while delivering good mechanical flexibility and robustness. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Effects of Energy Density and Shielding Medium on Performance of Laser Beam Welding (LBW) Joints on SAF2205 Duplex Stainless Steel

    NASA Astrophysics Data System (ADS)

    Zhang, W. W.; Cong, S.; Luo, S. B.; Fang, J. H.

    2018-05-01

    The corrosion resistance performance of SAF2205 duplex stainless steel depends on the amount of ferrite to austenite transformation, but the ferrite content after power beam welding is always excessively high. To obtain laser beam welding joints with better mechanical and corrosion resistance performance, the effects of the energy density and shielding medium on the austenite content, hardness distribution, and shear strength were investigated. The results showed that ferrite to austenite transformation was realized with increase in the energy density. When the energy density was increased from 120 J/mm to 200 J/mm, the austenite content of the welding joint changed from 2.6% to 38.5%. Addition of nitrogen gas to the shielding medium could promote formation of austenite. When the shielding medium contained 50% and 100% nitrogen gas, the austenite content of the welding joint was 42.7% and 47.2%, respectively. The hardness and shear strength were significantly improved by increase in the energy density. However, the shielding medium had less effect on the mechanical performance. Use of the optimal welding process parameters resulted in peak hardness of 375 HV and average shear strength of 670 MPa.

  11. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    PubMed

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2015-12-14

    We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

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

    PubMed

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

    2014-10-22

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

  13. Laser-driven strong magnetostatic fields with applications to charged beam transport and magnetized high energy-density physics

    NASA Astrophysics Data System (ADS)

    Santos, J. J.; Bailly-Grandvaux, M.; Ehret, M.; Arefiev, A. V.; Batani, D.; Beg, F. N.; Calisti, A.; Ferri, S.; Florido, R.; Forestier-Colleoni, P.; Fujioka, S.; Gigosos, M. A.; Giuffrida, L.; Gremillet, L.; Honrubia, J. J.; Kojima, S.; Korneev, Ph.; Law, K. F. F.; Marquès, J.-R.; Morace, A.; Mossé, C.; Peyrusse, O.; Rose, S.; Roth, M.; Sakata, S.; Schaumann, G.; Suzuki-Vidal, F.; Tikhonchuk, V. T.; Toncian, T.; Woolsey, N.; Zhang, Z.

    2018-05-01

    Powerful nanosecond laser-plasma processes are explored to generate discharge currents of a few 100 kA in coil targets, yielding magnetostatic fields (B-fields) in excess of 0.5 kT. The quasi-static currents are provided from hot electron ejection from the laser-irradiated surface. According to our model, which describes the evolution of the discharge current, the major control parameter is the laser irradiance Ilasλlas2 . The space-time evolution of the B-fields is experimentally characterized by high-frequency bandwidth B-dot probes and proton-deflectometry measurements. The magnetic pulses, of ns-scale, are long enough to magnetize secondary targets through resistive diffusion. We applied it in experiments of laser-generated relativistic electron transport through solid dielectric targets, yielding an unprecedented 5-fold enhancement of the energy-density flux at 60 μm depth, compared to unmagnetized transport conditions. These studies pave the ground for magnetized high-energy density physics investigations, related to laser-generated secondary sources of radiation and/or high-energy particles and their transport, to high-gain fusion energy schemes, and to laboratory astrophysics.

  14. Synthesis of Mesoporous Carbons from Rice Husk for Supercapacitors with High Energy Density in Ionic Liquid Electrolytes.

    PubMed

    He, Xiaojun; Zhang, Hebao; Xie, Kang; Xia, Youyi; Zhao, Zhigang; Wang, Xiaoting

    2016-03-01

    High-performance mesoporous carbons (MCs) for supercapacitors were made from rice husk by one-step microwave-assisted ZnCl2 activation. The microstructures of MCs as-made were characterized by field emission scanning electron microscopy and transmission electron microscopy. The pore structure parameters of MCs were obtained by N2 adsorption technique. The electrochemical properties of MC electrodes were studied by constant current charge-discharge, cyclic voltammetry and electrochemical impedance spectroscopy in different electrolytes. The results showed that the specific surface area of MC4 made at the ZnCl2/rice husk mass of 4:1 reached 1737 m2 g(-1). The specific capacitance and energy density of the electrodes fabricated from the mixture of MC4 and microporous carbon increased with the mass percentage of MC4, reaching 157 F g(-1) and 84 Wh kg(-1) at 0.05 A g(-1), and showed good cycle stability in 1-butyl-3-methylimidazolium hexafluorophosphate electrolyte. Compared to the often-used aqueous and organic electrolytes, MC4 capacitor exhibited extremely high energy density in ionic liquid electrolyte, remaining at 28 Wh kg(-1) at 1684 W kg(-1). This work paves a new way to produce cost-effective MCs from biomass for supercapacitors with extremely high energy density in ionic liquid electrolytes.

  15. 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.

  16. 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.

  17. Event-by-event gluon multiplicity, energy density, and eccentricities in ultrarelativistic heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Schenke, Björn; Tribedy, Prithwish; Venugopalan, Raju

    2012-09-01

    The event-by-event multiplicity distribution, the energy densities and energy density weighted eccentricity moments ɛn (up to n=6) at early times in heavy-ion collisions at both the BNL Relativistic Heavy Ion Collider (RHIC) (s=200GeV) and the CERN Large Hardron Collider (LHC) (s=2.76TeV) are computed in the IP-Glasma model. This framework combines the impact parameter dependent saturation model (IP-Sat) for nucleon parton distributions (constrained by HERA deeply inelastic scattering data) with an event-by-event classical Yang-Mills description of early-time gluon fields in heavy-ion collisions. The model produces multiplicity distributions that are convolutions of negative binomial distributions without further assumptions or parameters. In the limit of large dense systems, the n-particle gluon distribution predicted by the Glasma-flux tube model is demonstrated to be nonperturbatively robust. In the general case, the effect of additional geometrical fluctuations is quantified. The eccentricity moments are compared to the MC-KLN model; a noteworthy feature is that fluctuation dominated odd moments are consistently larger than in the MC-KLN model.

  18. A high-energy-density, high-Mach number single jet experiment

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

    Hansen, J. F.; Dittrich, T. R.; Elliott, J. B.

    2011-08-15

    A high-energy-density, x-ray-driven, high-Mach number (M{>=} 17) single jet experiment shows constant propagation speeds of the jet and its bowshock into the late time regime. The jet assumes a characteristic mushroom shape with a stalk and a head. The width of the head and the bowshock also grow linearly in time. The width of the stalk decreases exponentially toward an asymptotic value. In late time images, the stalk kinks and develops a filamentary nature, which is similar to experiments with applied magnetic fields. Numerical simulations match the experiment reasonably well, but ''exterior'' details of the laser target must be includedmore » to obtain a match at late times.« less

  19. Inertial Fusion and High-Energy-Density Science in the United States

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

    Tarter, C B

    2001-09-06

    Inertial fusion and high-energy density science worldwide is poised to take a great leap forward. In the US, programs at the University of Rochester, Sandia National Laboratories, Los Alamos National Laboratory, Lawrence Livermore National Laboratory (LLNL), the Naval Research Laboratory, and many smaller laboratories have laid the groundwork for building a facility in which fusion ignition can be studied in the laboratory for the first time. The National Ignition Facility (NIF) is being built by the Department of Energy's National Nuclear Security Agency to provide an experimental test bed for the US Stockpile Stewardship Program (SSP) to ensure the dependabilitymore » of the country's nuclear deterrent without underground nuclear testing. NIF and other large laser systems being planned such as the Laser MegaJoule (LMJ) in France will also make important contributions to basic science, the development of inertial fusion energy, and other scientific and technological endeavors. NIF will be able to produce extreme temperatures and pressures in matter. This will allow simulating astrophysical phenomena (on a tiny scale) and measuring the equation of state of material under conditions that exist in planetary cores.« less

  20. Location of acoustic radiators and inversion for energy density using radio-frequency sources and thunder recordings

    NASA Astrophysics Data System (ADS)

    Anderson, J.; Johnson, J. B.; Arechiga, R. O.; Edens, H. E.; Thomas, R. J.

    2011-12-01

    We use radio frequency (VHF) pulse locations mapped with the New Mexico Tech Lightning Mapping Array (LMA) to study the distribution of thunder sources in lightning channels. A least squares inversion is used to fit channel acoustic energy radiation with broadband (0.01 to 500 Hz) acoustic recordings using microphones deployed local (< 10 km) to the lightning. We model the thunder (acoustic) source as a superposition of line segments connecting the LMA VHF pulses. An optimum branching algorithm is used to reconstruct conductive channels delineated by VHF sources, which we discretize as a superposition of finely-spaced (0.25 m) acoustic point sources. We consider total radiated thunder as a weighted superposition of acoustic waves from individual channels, each with a constant current along its length that is presumed to be proportional to acoustic energy density radiated per unit length. Merged channels are considered as a linear sum of current-carrying branches and radiate proportionally greater acoustic energy. Synthetic energy time series for a given microphone location are calculated for each independent channel. We then use a non-negative least squares inversion to solve for channel energy densities to match the energy time series determined from broadband acoustic recordings across a 4-station microphone network. Events analyzed by this method have so far included 300-1000 VHF sources, and correlations as high as 0.5 between synthetic and recorded thunder energy were obtained, despite the presence of wind noise and 10-30 m uncertainty in VHF source locations.