Development of advanced polymer nanocomposite capacitors

NASA Astrophysics Data System (ADS)

Mendoza, Miguel

The current development of modern electronics has driven the need for new series of energy storage devices with higher energy density and faster charge/discharge rate. Batteries and capacitors are two of the most widely used energy storage devices. Compared with batteries, capacitors have higher power density and significant higher charge/discharge rate. Therefore, high energy density capacitors play a significant role in modern electronic devices, power applications, space flight technologies, hybrid electric vehicles, portable defibrillators, and pulse power applications. Dielectric film capacitors represent an exceptional alternative for developing high energy density capacitors due to their high dielectric constants, outstanding breakdown voltages, and flexibility. The implementation of high aspect ratio dielectric inclusions such as nanowires into polymer capacitors could lead to further enhancement of its energy density. Therefore, this research effort is focused on the development of a new series of dielectric capacitors composed of nanowire reinforced polymer matrix composites. This concept of nanocomposite capacitors combines the extraordinary physical and chemical properties of the one-dimension (1D) nanoceramics and high dielectric strength of polymer matrices, leading to a capacitor with improved dielectric properties and energy density. Lead-free sodium niobate (NaNbO3) and lead-containing lead magnesium niobate-lead titanate (0.65PMN-0.35PT) nanowires were synthesized following hydrothermal and sol-gel approaches, respectively. The as-prepared nanowires were mixed with a polyvinylidene fluoride (PVDF) matrix using solution-casting method for nanocomposites fabrication. The dielectric constants and breakdown voltages of the NaNbO3/PVDF and 0.65PMN-0.35PT/PVDF nanocomposites were measured under different frequency ranges and temperatures in order to determine their maximum energy (J/cm3) and specific (J/g) densities. The electrical properties of the synthesized nanoceramics were compared with commercially available barium titanate (BaTiO3) and lead zirconate titanate Pb(ZrxTi1-x)O3 powders embedded into a PVDF matrix. The resulting dielectric film capacitors represent an excellent alternative energy storage device for future high energy density applications.

Method and apparatus for ceramic analysis

DOEpatents

Jankowiak, Ryszard J.; Schilling, Chris; Small, Gerald J.; Tomasik, Piotr

2003-04-01

The present invention relates to a method and apparatus for ceramic analysis, in particular, a method for analyzing density, density gradients and/or microcracks, including an apparatus with optical instrumentation for analysis of density, density gradients and/or microcracks in ceramics. The method provides analyzing density of a ceramic comprising exciting a component on a surface/subsurface of the ceramic by exposing the material to excitation energy. The method may further include the step of obtaining a measurement of an emitted energy from the component. The method may additionally include comparing the measurement of the emitted energy from the component with a predetermined reference measurement so as to obtain a density for said ceramic.

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

Laser Scribed Graphene Cathode for Next Generation of High Performance Hybrid Supercapacitors.

PubMed

Lee, Seung-Hwan; Kim, Jin Hyeon; Yoon, Jung-Rag

2018-05-25

Hybrid supercapacitors have been regarded as next-generation energy storage devices due to their outstanding performances. However, hybrid supercapacitors remain a great challenge to enhance the energy density of hybrid supercapacitors. Herein, a novel approach for high-energy density hybrid supercapacitors based on a laser scribed graphene cathode and AlPO 4 -carbon hybrid coated H 2 Ti 12 O 25 (LSG/H-HTO) was designed. Benefiting from high-energy laser scribed graphene and high-power H-HTO, it was demonstrated that LSG/H-HTO delivers superior energy and power densities with excellent cyclability. Compared to previous reports on other hybrid supercapacitors, LSG/H-HTO electrode composition shows extraordinary energy densities of ~70.8 Wh/kg and power densities of ~5191.9 W/kg. Therefore, LSG/H-HTO can be regarded as a promising milestone in hybrid supercapacitors.

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.

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory.

PubMed

Eich, F G; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

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

Eich, F. G., E-mail: eichf@missouri.edu; Hellgren, Maria

2014-12-14

We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state andmore » exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.« less

Comparative studies on structures, mechanical properties, sensitivity, stabilities and detonation performance of CL-20/TNT cocrystal and composite explosives by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

2017-09-19

To investigate and compare the differences of structures and properties of CL-20/TNT cocrystal and composite explosives, the CL-20/TNT cocrystal and composite models were established. Molecular dynamics simulations were performed to investigate the structures, mechanical properties, sensitivity, stabilities and detonation performance of cocrystal and composite models with COMPASS force field in NPT ensemble. The lattice parameters, mechanical properties, binding energies, interaction energy of trigger bond, cohesive energy density and detonation parameters were determined and compared. The results show that, compared with pure CL-20, the rigidity and stiffness of cocrystal and composite models decreased, while plastic properties and ductility increased, so mechanical properties can be effectively improved by adding TNT into CL-20 and the cocrystal model has better mechanical properties. The interaction energy of the trigger bond and the cohesive energy density is in the order of CL-20/TNT cocrystal > CL-20/TNT composite > pure CL-20, i.e., cocrystal model is less sensitive than CL-20 and the composite model, and has the best safety parameters. Binding energies show that the cocrystal model has higher intermolecular interaction energy values than the composite model, thus illustrating the better stability of the cocrystal model. Detonation parameters vary as CL-20 > cocrystal > composite, namely, the energy density and power of cocrystal and composite model are weakened; however, the CL-20/TNT cocrystal explosive still has desirable energy density and detonation performance. This results presented in this paper help offer some helpful guidance to better understand the mechanism of CL-20/TNT cocrystal explosives and provide some theoretical assistance for cocrystal explosive design.

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

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

Visible red and infrared light alters gene expression in human marrow stromal fibroblast cells.

PubMed

Guo, J; Wang, Q; Wai, D; Zhang, Q Z; Shi, S H; Le, A D; Shi, S T; Yen, S L-K

2015-04-01

This study tested whether or not gene expression in human marrow stromal fibroblast (MSF) cells depends on light wavelength and energy density. Primary cultures of isolated human bone marrow stem cells (hBMSC) were exposed to visible red (VR, 633 nm) and infrared (IR, 830 nm) radiation wavelengths from a light emitting diode (LED) over a range of energy densities (0.5, 1.0, 1.5, and 2.0 Joules/cm2) Cultured cells were assayed for cell proliferation, osteogenic potential, adipogenesis, mRNA and protein content. mRNA was analyzed by microarray and compared among different wavelengths and energy densities. Mesenchymal and epithelial cell responses were compared to determine whether responses were cell type specific. Protein array analysis was used to further analyze key pathways identified by microarrays. Different wavelengths and energy densities produced unique sets of genes identified by microarray analysis. Pathway analysis pointed to TGF-beta 1 in the visible red and Akt 1 in the infrared wavelengths as key pathways to study. TGF-beta protein arrays suggested switching from canonical to non-canonical TGF-beta pathways with increases to longer IR wavelengths. Microarrays suggest RANKL and MMP 10 followed IR energy density dose-response curves. Epithelial and mesenchymal cells respond differently to stimulation by light suggesting cell type-specific response is possible. These studies demonstrate differential gene expression with different wavelengths, energy densities and cell types. These differences in gene expression have the potential to be exploited for therapeutic purposes and can help explain contradictory results in the literature when wavelengths, energy densities and cell types differ. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Vortex energy landscape from real space imaging analysis of YBa2Cu3O7 with different defect structures

NASA Astrophysics Data System (ADS)

Luccas, R. F.; Granados, X.; Obradors, X.; Puig, T.

2014-10-01

A methodology based on real space vortex image analysis is presented able to estimate semi-quantitatively the relevant energy densities of an arbitrary array of vortices, map the interaction energy distributions and evaluate the pinning energy associated to particular defects. The combined study using nanostructuration tools, a vortex visualization technique and the energy method is seen as an opportunity to estimate vortex pinning potentials strengths. Particularly, spatial distributions of vortex energy densities induced by surface nanoindented scratches are evaluated and compared to those of twin boundaries. This comparative study underlines the remarkable role of surface nanoscratches in pinning vortices and its potentiality in the design of novel devices for pinning and guiding vortex motion.

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.

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

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

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.

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.

Visual attention to food cues in obesity: an eye-tracking study.

PubMed

Doolan, Katy J; Breslin, Gavin; Hanna, Donncha; Murphy, Kate; Gallagher, Alison M

2014-12-01

Based on the theory of incentive sensitization, the aim of this study was to investigate differences in attentional processing of food-related visual cues between normal-weight and overweight/obese males and females. Twenty-six normal-weight (14M, 12F) and 26 overweight/obese (14M, 12F) adults completed a visual probe task and an eye-tracking paradigm. Reaction times and eye movements to food and control images were collected during both a fasted and fed condition in a counterbalanced design. Participants had greater visual attention towards high-energy-density food images compared to low-energy-density food images regardless of hunger condition. This was most pronounced in overweight/obese males who had significantly greater maintained attention towards high-energy-density food images when compared with their normal-weight counterparts however no between weight group differences were observed for female participants. High-energy-density food images appear to capture visual attention more readily than low-energy-density food images. Results also suggest the possibility of an altered visual food cue-associated reward system in overweight/obese males. Attentional processing of food cues may play a role in eating behaviors thus should be taken into consideration as part of an integrated approach to curbing obesity. © 2014 The Obesity Society.

Improved correlation corrections to the local-spin-density approximation

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

Painter, G.S.

1981-10-15

The accurate correlation energies for the para- and ferromagnetic states of the electron liquid calculated by Ceperley and Alder were recently used by Vosko, Wilk, and Nusair to produce a new correlation-energy density of increased accuracy and proper limiting behavior in the metallic density regime (r/sub s/< or =6). In the present work, the correlation potential in the local-spin-density approximation (LSDA) is derived from the correlation-energy-density representation of Vosko et al. Characteristics of the new exchange-correlation model are compared with those of the LSDA model of Gunnarsson and Lundqvist. Specific comparison is made between these models and exact results inmore » the treatment of atomic and molecular hydrogen. Since the new treatment of correlation primarily affects the region of small r/sub s/, which is exchange dominated, correlation corrections are small compared with errors in the exchange energy. Thus, in light atoms the improved correlation model leads to a reduced cancellation of error between exchange and correlation energies, emphasizing the necessity for improved exchange treatment. For more homogeneous systems, the model should offer real improvement. The present results obtained with precise treatment of correlation within the prescription of Vosko et al. serve to define the present limitations of the LSDA and indicate the importance of nonlocal corrections, particularly for atoms.« less

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.

Regenerative braking systems with torsional springs made of carbon nanotube yarn

NASA Astrophysics Data System (ADS)

Liu, S.; Martin, C.; Lashmore, D.; Schauer, M.; Livermore, C.

2014-11-01

The demonstration of large stroke, high energy density and high power density torsional springs based on carbon nanotube (CNT) yarns is reported, as well as their application as an energy-storing actuator for regenerative braking systems. Originally untwisted CNT yarn is cyclically loaded and unloaded in torsion, with the maximum rotation angle increasing until failure. The maximum extractable energy density is measured to be as high as 6.13 kJ/kg. The tests also reveal structural reorganization and hysteresis in the torsional loading curves. A regenerative braking system is built to capture the kinetic energy of a wheel and store it as elastic energy in twisted CNT yarns. When the yam's twist is released, the stored energy reaccelerates the wheel. The measured energy and mean power densities of the CNT yarns in the simple regenerative braking system are up to 4.69 kJ/kg and 1.21 kW/kg, respectively. A slightly lower energy density of up to 1.23 kJ/kg and a 0.29 kW/kg mean power density are measured for the CNT yarns in a more complex system that mimics a unidirectional rotating regenerative braking mechanism. The lower energy densities for CNT yarns in the regenerative braking systems as compared with the yarns themselves reflect the frictional losses of the regenerative systems.

Manifestations of dynamo driven large-scale magnetic field in accretion disks of compact objects

NASA Technical Reports Server (NTRS)

Chagelishvili, G. D.; Chanishvili, R. G.; Lominadze, J. G.; Sokhadze, Z. A.

1991-01-01

A turbulent dynamo nonlinear theory of turbulence was developed that shows that in the compact objects of accretion disks, the generated large-scale magnetic field (when the generation takes place) has a practically toroidal configuration. Its energy density can be much higher than turbulent pulsations energy density, and it becomes comparable with the thermal energy density of the medium. On this basis, the manifestations to which the large-scale magnetic field can lead at the accretion onto black holes and gravimagnetic rotators, respectively, are presented.

Magnetic dynamo activity in mechanically driven compressible magnetohydrodynamic turbulence

NASA Technical Reports Server (NTRS)

Shebalin, John V.; Montgomery, David

1989-01-01

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

High-efficiency acceleration in the laser wakefield by a linearly increasing plasma density

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

Dong, Kegong; Wu, Yuchi; Zhu, Bin

The acceleration length and the peak energy of the electron beam are limited by the dephasing effect in the laser wakefield acceleration with uniform plasma density. Based on 2D-3V particle in cell simulations, the effects of a linearly increasing plasma density on the electron acceleration are investigated broadly. Comparing with the uniform plasma density, because of the prolongation of the acceleration length and the gradually increasing accelerating field due to the increasing plasma density, the electron beam energy is twice higher in moderate nonlinear wakefield regime. Because of the lower plasma density, the linearly increasing plasma density can also avoidmore » the dark current caused by additional injection. At the optimal acceleration length, the electron energy can be increased from 350 MeV (uniform) to 760 MeV (linearly increasing) with the energy spread of 1.8%, the beam duration is 5 fs and the beam waist is 1.25 μm. This linearly increasing plasma density distribution can be achieved by a capillary with special gas-filled structure, and is much more suitable for experiment.« less

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.

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.

Unleashing the Power and Energy of LiFePO4-Based Redox Flow Lithium Battery with a Bifunctional Redox Mediator.

PubMed

Zhu, Yun Guang; Du, Yonghua; Jia, Chuankun; Zhou, Mingyue; Fan, Li; Wang, Xingzhu; Wang, Qing

2017-05-10

Redox flow batteries, despite great operation flexibility and scalability for large-scale energy storage, suffer from low energy density and relatively high cost as compared to the state-of-the-art Li-ion batteries. Here we report a redox flow lithium battery, which operates via the redox targeting reactions of LiFePO 4 with a bifunctional redox mediator, 2,3,5,6-tetramethyl-p-phenylenediamine, and presents superb energy density as the Li-ion battery and system flexibility as the redox flow battery. The battery has achieved a tank energy density as high as 1023 Wh/L, power density of 61 mW/cm 2 , and voltage efficiency of 91%. Operando X-ray absorption near-edge structure measurements were conducted to monitor the evolution of LiFePO 4 , which provides insightful information on the redox targeting process, critical to the device operation and optimization.

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

Spinning solutions in general relativity with infinite central density

NASA Astrophysics Data System (ADS)

Flammer, P. D.

2018-05-01

This paper presents general relativistic numerical simulations of uniformly rotating polytropes. Equations are developed using MSQI coordinates, but taking a logarithm of the radial coordinate. The result is relatively simple elliptical differential equations. Due to the logarithmic scale, we can resolve solutions with near-singular mass distributions near their center, while the solution domain extends many orders of magnitude larger than the radius of the distribution (to connect with flat space-time). Rotating solutions are found with very high central energy densities for a range of adiabatic exponents. Analytically, assuming the pressure is proportional to the energy density (which is true for polytropes in the limit of large energy density), we determine the small radius behavior of the metric potentials and energy density. This small radius behavior agrees well with the small radius behavior of large central density numerical results, lending confidence to our numerical approach. We compare results with rotating solutions available in the literature, which show good agreement. We study the stability of spherical solutions: instability sets in at the first maximum in mass versus central energy density; this is also consistent with results in the literature, and further lends confidence to the numerical approach.

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

Resource Assessment of Tidal Current Energy in Hangzhou Bay Based on Long Term Measurement

NASA Astrophysics Data System (ADS)

Zhang, Feng; Dai, Chun-Ni; Xu, Xue-Feng; Wang, Chuan-Kun; Ye, Qin

2017-05-01

Compared with other marine renewable energy, tidal current energy benefits a lot in high energy density and good predictability. Based on the measured tidal current data in Hangzhou Bay from Nov 2012 to Oct 2012, this paper analysed temporal and spatial changes of tidal current energy in the site. It is the first time measured data of such long time been taken in tidal current energy analysis. Occurrence frequency and duration of the current of different speed are given out in the paper. According to the analysis results, monthly average power density changed a lot in different month, and installation orientation of tidal current turbine significantly affected energy acquisition. Finally, the annual average power density of tidal current energy with coefficient Cp in the site was calculated, and final output of a tidal current plant was also estimated.

Study of the underlying event at forward rapidity in pp collisions at $$ \\sqrt{s}=0.9,2.76,\\;\\mathrm{and}\\;7\\;\\mathrm{TeV} $$

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

Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.

The underlying event activity in proton-proton collisions at forward pseudo-rapidity (-6.6 < η < -5.2) is studied with the CMS detector at the LHC, using a novel observable: the ratio of the forward energy density, dE/dη, for events with a charged-particle jet produced at central pseudorapidity (|η jet| < 2) to the forward energy density for inclusive events. This forward energy density ratio is measured as a function of the central jet transverse momentum, p (T), at three different pp centre-of-mass energies (more » $$\\sqrt{s}$$ = 0.9, 2.76, and 7 TeV). In addition, the evolution of the forward energy density is studied in inclusive events and in events with a central jet. The results are compared to those of Monte Carlo event generators for pp collisions and are discussed in terms of the underlying event. Whereas the dependence of the forward energy density ratio on jet p T at each separately can be well reproduced by some models, all models fail to simultaneously describe the increase of the forward energy density with in both inclusive events and in events with a central jet.« less

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.

Transport properties in mixtures involving carbon dioxide at low and moderate density: test of several intermolecular potential energies and comparison with experiment

NASA Astrophysics Data System (ADS)

Moghadasi, Jalil; Yousefi, Fakhri; Papari, Mohammad Mehdi; Faghihi, Mohammad Ali; Mohsenipour, Ali Asghar

2009-09-01

It is the purpose of this paper to extract unlike intermolecular potential energies of five carbon dioxide-based binary gas mixtures including CO2-He, CO2-Ne, CO2-Ar, CO2-Kr, and CO2-Xe from viscosity data and compare the calculated potentials with other models potential energy reported in literature. Then, dilute transport properties consisting of viscosity, diffusion coefficient, thermal diffusion factor, and thermal conductivity of aforementioned mixtures are calculated from the calculated potential energies and compared with literature data. Rather accurate correlations for the viscosity coefficient of afore-cited mixtures embracing the temperature range 200 K < T < 3273.15 K is reproduced from the present unlike intermolecular potentials energy. Our estimated accuracies for the viscosity are to within ±2%. In addition, the calculated potential energies are used to present smooth correlations for other transport properties. The accuracies of the binary diffusion coefficients are of the order of ±3%. Finally, the unlike interaction energy and the calculated low density viscosity have been employed to calculate high density viscosities using Vesovic-Wakeham method.

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.

Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins

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

Chandrasekaran, Suryanarayanan; Aghtar, Mortaza; Valleau, Stéphanie

2015-08-06

Studies on light-harvesting (LH) systems have attracted much attention after the finding of long-lived quantum coherences in the exciton dynamics of the Fenna–Matthews–Olson (FMO) complex. In this complex, excitation energy transfer occurs between the bacteriochlorophyll a (BChl a) pigments. Two quantum mechanics/molecular mechanics (QM/MM) studies, each with a different force-field and quantum chemistry approach, reported different excitation energy distributions for the FMO complex. To understand the reasons for these differences in the predicted excitation energies, we have carried out a comparative study between the simulations using the CHARMM and AMBER force field and the Zerner intermediate neglect of differential orbitalmore » (ZINDO)/S and time-dependent density functional theory (TDDFT) quantum chemistry methods. The calculations using the CHARMM force field together with ZINDO/S or TDDFT always show a wider spread in the energy distribution compared to those using the AMBER force field. High- or low-energy tails in these energy distributions result in larger values for the spectral density at low frequencies. A detailed study on individual BChl a molecules in solution shows that without the environment, the density of states is the same for both force field sets. Including the environmental point charges, however, the excitation energy distribution gets broader and, depending on the applied methods, also asymmetric. The excitation energy distribution predicted using TDDFT together with the AMBER force field shows a symmetric, Gaussian-like distribution.« less

Universality of quantum information in chaotic CFTs

NASA Astrophysics Data System (ADS)

Lashkari, Nima; Dymarsky, Anatoly; Liu, Hong

2018-03-01

We study the Eigenstate Thermalization Hypothesis (ETH) in chaotic conformal field theories (CFTs) of arbitrary dimensions. Assuming local ETH, we compute the reduced density matrix of a ball-shaped subsystem of finite size in the infinite volume limit when the full system is an energy eigenstate. This reduced density matrix is close in trace distance to a density matrix, to which we refer as the ETH density matrix, that is independent of all the details of an eigenstate except its energy and charges under global symmetries. In two dimensions, the ETH density matrix is universal for all theories with the same value of central charge. We argue that the ETH density matrix is close in trace distance to the reduced density matrix of the (micro)canonical ensemble. We support the argument in higher dimensions by comparing the Von Neumann entropy of the ETH density matrix with the entropy of a black hole in holographic systems in the low temperature limit. Finally, we generalize our analysis to the coherent states with energy density that varies slowly in space, and show that locally such states are well described by the ETH density matrix.

Density-Decomposed Orbital-Free Density Functional Theory for Covalent Systems and Application to Li-Si alloys

NASA Astrophysics Data System (ADS)

Xia, Junchao; Carter, Emily

2014-03-01

We propose a density decomposition scheme using a Wang-Govind-Carter (WGC)-based kinetic energy density functional (KEDF) to accurately and efficiently simulate covalent systems within orbital-free (OF) density functional theory (DFT). By using a local, density-dependent scale function, the total density is decomposed into a localized density within covalent bond regions and a flattened delocalized density, with the former described by semilocal KEDFs and the latter treated by the WGC KEDF. The new model predicts reasonable equilibrium volumes, bulk moduli, and phase ordering energies for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks. The surface energy of Si(100) also agrees well with KSDFT. We further apply the model to study mechanical properties of Li-Si alloys, which have been recently recognized as a promising candidate for next-generation anodes of Li-ion batteries with outstanding capacity. We study multiple crystalline Li-Si alloys. The WGCD KEDF predicts accurate cell lattice vectors, equilibrium volumes, elastic moduli, electron densities, alloy formation and Li adsorption energies. Because of its quasilinear scaling, coupled with the level of accuracy shown here, OFDFT appears quite promising for large-scale simulation of such materials phenomena. Office of Naval Research, National Science Foundation, Tigress High Performance Computing Center.

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.

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

PubMed

Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

2015-04-21

We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

Directly Grown Nanostructured Electrodes for High Volumetric Energy Density Binder-Free Hybrid Supercapacitors: A Case Study of CNTs//Li4Ti5O12

NASA Astrophysics Data System (ADS)

Zuo, Wenhua; Wang, Chong; Li, Yuanyuan; Liu, Jinping

2015-01-01

Hybrid supercapacitor (HSC), which typically consists of a Li-ion battery electrode and an electric double-layer supercapacitor electrode, has been extensively investigated for large-scale applications such as hybrid electric vehicles, etc. Its application potential for thin-film downsized energy storage systems that always prefer high volumetric energy/power densities, however, has not yet been explored. Herein, as a case study, we develop an entirely binder-free HSC by using multiwalled carbon nanotube (MWCNT) network film as the cathode and Li4Ti5O12 (LTO) nanowire array as the anode and study the volumetric energy storage capability. Both the electrode materials are grown directly on carbon cloth current collector, ensuring robust mechanical/electrical contacts and flexibility. Our 3 V HSC device exhibits maximum volumetric energy density of ~4.38 mWh cm-3, much superior to those of previous supercapacitors based on thin-film electrodes fabricated directly on carbon cloth and even comparable to the commercial thin-film lithium battery. It also has volumetric power densities comparable to that of the commercial 5.5 V/100 mF supercapacitor (can be operated within 3 s) and has excellent cycling stability (~92% retention after 3000 cycles). The concept of utilizing binder-free electrodes to construct HSC for thin-film energy storage may be readily extended to other HSC electrode systems.

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.

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.

Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital Relaxation.

PubMed

Senn, Florian; Krykunov, Mykhaylo

2015-10-22

For the polyacenes series from naphthalene to hexacene, we present the vertical singlet excitation energies 1 (1)La and 1 (1)Lb, as well as the first triplet excitation energies obtained by the all-order constricted variational density functional theory with orbital relaxation (R-CV(∞)-DFT). R-CV(∞)-DFT is a further development of variational density functional theory (CV(∞)-DFT), which has already been successfully applied for the calculation of the vertical singlet excitation energies (1)La and (1)Lb for polyacenes,15 and we show that one obtains consistent excitation energies using the local density approximation as a functional for singlet as well as for triplet excitations when going beyond the linear response theory. Furthermore, we apply self-consistent field density functional theory (ΔSCF-DFT) and compare the obtained excitation energies for the first triplet excitations T1, where, due to the character of the transition, ΔSCF-DFT and R-CV(∞)-DFT become numerically equivalent, and for the singlet excitations 1 (1)La and 1 (1)Lb, where the two methods differ.

Preliminary research on dual-energy X-ray phase-contrast imaging

NASA Astrophysics Data System (ADS)

Han, Hua-Jie; Wang, Sheng-Hao; Gao, Kun; Wang, Zhi-Li; Zhang, Can; Yang, Meng; Zhang, Kai; Zhu, Pei-Ping

2016-04-01

Dual-energy X-ray absorptiometry (DEXA) has been widely applied to measure the bone mineral density (BMD) and soft-tissue composition of the human body. However, the use of DEXA is greatly limited for low-Z materials such as soft tissues due to their weak absorption, while X-ray phase-contrast imaging (XPCI) shows significantly improved contrast in comparison with the conventional standard absorption-based X-ray imaging for soft tissues. In this paper, we propose a novel X-ray phase-contrast method to measure the area density of low-Z materials, including a single-energy method and a dual-energy method. The single-energy method is for the area density calculation of one low-Z material, while the dual-energy method aims to calculate the area densities of two low-Z materials simultaneously. Comparing the experimental and simulation results with the theoretical ones, the new method proves to have the potential to replace DEXA in area density measurement. The new method sets the prerequisites for a future precise and low-dose area density calculation method for low-Z materials. Supported by Major State Basic Research Development Program (2012CB825800), Science Fund for Creative Research Groups (11321503) and National Natural Science Foundation of China (11179004, 10979055, 11205189, 11205157)

Quantifying the interplay between gravity and magnetic field in molecular clouds - a possible multiscale energy equipartition in NGC 6334

NASA Astrophysics Data System (ADS)

Li, Guang-Xing; Burkert, Andreas

2018-02-01

The interplay between gravity, turbulence and the magnetic field determines the evolution of the molecular interstellar medium (ISM) and the formation of the stars. In spite of growing interests, there remains a lack of understanding of the importance of magnetic field over multiple scales. We derive the magnetic energy spectrum - a measure that constraints the multiscale distribution of the magnetic energy, and compare it with the gravitational energy spectrum derived in Li & Burkert. In our formalism, the gravitational energy spectrum is purely determined by the surface density probability density distribution (PDF), and the magnetic energy spectrum is determined by both the surface density PDF and the magnetic field-density relation. If regions have density PDFs close to P(Σ) ˜ Σ-2 and a universal magnetic field-density relation B ˜ ρ1/2, we expect a multiscale near equipartition between gravity and the magnetic fields. This equipartition is found to be true in NGC 6334, where estimates of magnetic fields over multiple scales (from 0.1 pc to a few parsec) are available. However, the current observations are still limited in sample size. In the future, it is necessary to obtain multiscale measurements of magnetic fields from different clouds with different surface density PDFs and apply our formalism to further study the gravity-magnetic field interplay.

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

Ruther, Rose E.; Sun, Che -Nan; Holliday, Adam

A simple electrolyte consisting of NaPF 6 salt in 1,2-dimethoxyethane (DME) can extend the voltage window of electric double-layer capacitors (EDLCs) to >3.5 V. DME does not passivate carbon electrodes at very negative potentials (near Na/Na +), extending the practical voltage window by about 1.0 V compared to standard, non-aqueous electrolytes based on acetonitrile. The voltage window is demonstrated in two- and three-electrode cells using a combination of electrochemical impedance spectroscopy (EIS), charge-discharge cycling, and measurements of leakage current. DME-based electrolytes cannot match the high conductivity of acetonitrile solutions, but they can satisfy applications that demand high energy density atmore » moderate power. The conductivity of NaPF 6 in DME is comparable to commercial lithium-ion battery electrolytes and superior to most ionic liquids. Lastly, factors that limit the voltage window and EDLC energy density are discussed, and strategies to further boost energy density are proposed.« less

First prototypes of hybrid potassium-ion capacitor (KIC): An innovative, cost-effective energy storage technology for transportation applications

NASA Astrophysics Data System (ADS)

Le Comte, Annaïg; Reynier, Yvan; Vincens, Christophe; Leys, Côme; Azaïs, Philippe

2017-09-01

Hybrid supercapacitors, combining capacitive carbon-based positive electrode with a Li-ion battery-type negative electrode have been developed in the pursuit of increasing the energy density of conventional supercapacitor without impacting the power density. However, lithium-ion capacitors yet hardly meet the specifications of automotive sector. Herein we report for the first time the development of new hybrid potassium-ion capacitor (KIC) technology. Compared to lithium-ion capacitor (LIC) all strategic materials (lithium and copper) have been replaced. Excellent electrochemical performance have been achieved at a pouch cell scale, with cyclability superior to 55 000 cycles at high charge/discharge regime. For the same cell scale, the energy density is doubled compared to conventional supercapacitor up to high power regime (>1.5 kW kg-1). Finally, the technology was successfully scaled up to 18650 format leading to very promising prospects for transportation applications.

Determination of CT number and density profile of binderless, pre-treated and tannin-based Rhizophora spp. particleboards using computed tomography imaging and electron density phantom

NASA Astrophysics Data System (ADS)

Yusof, Mohd Fahmi Mohd; Hamid, Puteri Nor Khatijah Abdul; Bauk, Sabar; Hashim, Rokiah; Tajuddin, Abdul Aziz

2015-04-01

Plug density phantoms were constructed in accordance to CT density phantom model 062M CIRS using binderless, pre-treated and tannin-based Rhizophora Spp. particleboards. The Rhizophora Spp. plug phantoms were scanned along with the CT density phantom using Siemens Somatom Definition AS CT scanner at three CT energies of 80, 120 and 140 kVp. 15 slices of images with 1.0 mm thickness each were taken from the central axis of CT density phantom for CT number and CT density profile analysis. The values were compared to water substitute plug phantom from the CT density phantom. The tannin-based Rhizophora Spp. gave the nearest value of CT number to water substitute at 80 and 120 kVp CT energies with χ2 value of 0.011 and 0.014 respectively while the binderless Rhizphora Spp. gave the nearest CT number to water substitute at 140 kVp CT energy with χ2 value of 0.023. The tannin-based Rhizophora Spp. gave the nearest CT density profile to water substitute at all CT energies. This study indicated the suitability of Rhizophora Spp. particleboard as phantom material for the use in CT imaging studies.

Determination of CT number and density profile of binderless, pre-treated and tannin-based Rhizophora spp. particleboards using computed tomography imaging and electron density phantom

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

Yusof, Mohd Fahmi Mohd, E-mail: mfahmi@usm.my; Hamid, Puteri Nor Khatijah Abdul; Tajuddin, Abdul Aziz

2015-04-29

Plug density phantoms were constructed in accordance to CT density phantom model 062M CIRS using binderless, pre-treated and tannin-based Rhizophora Spp. particleboards. The Rhizophora Spp. plug phantoms were scanned along with the CT density phantom using Siemens Somatom Definition AS CT scanner at three CT energies of 80, 120 and 140 kVp. 15 slices of images with 1.0 mm thickness each were taken from the central axis of CT density phantom for CT number and CT density profile analysis. The values were compared to water substitute plug phantom from the CT density phantom. The tannin-based Rhizophora Spp. gave the nearest valuemore » of CT number to water substitute at 80 and 120 kVp CT energies with χ{sup 2} value of 0.011 and 0.014 respectively while the binderless Rhizphora Spp. gave the nearest CT number to water substitute at 140 kVp CT energy with χ{sup 2} value of 0.023. The tannin-based Rhizophora Spp. gave the nearest CT density profile to water substitute at all CT energies. This study indicated the suitability of Rhizophora Spp. particleboard as phantom material for the use in CT imaging studies.« less

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.

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.

Electron momentum density and band structure calculations of α- and β-GeTe

NASA Astrophysics Data System (ADS)

Vadkhiya, Laxman; Arora, Gunjan; Rathor, Ashish; Ahuja, B. L.

2011-12-01

We have measured isotropic experimental Compton profile of α-GeTe by employing high energy (662 keV) γ-radiation from a 137Cs isotope. To compare our experiment, we have also computed energy bands, density of states, electron momentum densities and Compton profiles of α- and β-phases of GeTe using the linear combination of atomic orbitals method. The electron momentum density is found to play a major role in understanding the topology of bands in the vicinity of the Fermi level. It is seen that the density functional theory (DFT) with generalised gradient approximation is relatively in better agreement with the experiment than the local density approximation and hybrid Hartree-Fock/DFT.

Energy transmission transformer for a wireless capsule endoscope: analysis of specific absorption rate and current density in biological tissue.

PubMed

Shiba, Kenji; Nagato, Tomohiro; Tsuji, Toshio; Koshiji, Kohji

2008-07-01

This paper reports on the electromagnetic influences on the analysis of biological tissue surrounding a prototype energy transmission system for a wireless capsule endoscope. Specific absorption rate (SAR) and current density were analyzed by electromagnetic simulator in a model consisting of primary coil and a human trunk including the skin, fat, muscle, small intestine, backbone, and blood. First, electric and magnetic strength in the same conditions as the analytical model were measured and compared to the analytical values to confirm the validity of the analysis. Then, SAR and current density as a function of frequency and output power were analyzed. The validity of the analysis was confirmed by comparing the analytical values with the measured ones. The SAR was below the basic restrictions of the International Commission on Nonionizing Radiation Protection (ICNIRP). At the same time, the results for current density show that the influence on biological tissue was lowest in the 300-400 kHz range, indicating that it was possible to transmit energy safely up to 160 mW. In addition, we confirmed that the current density has decreased by reducing the primary coil's current.

Electron Trap Energy Distribution in ALD Al2O3, LaAl4Ox, and GdyAl2-yO3 Layers on Silicon

NASA Astrophysics Data System (ADS)

Wang, W. C.; Badylevich, M.; Adelmann, C.; Swerts, J.; Kittl, J. A.; Afanas'ev, V. V.

2012-12-01

The energy distribution of electron trap density in atomic layer deposited Al2O3, LaAl4Ox and GdyAl2-yO3 insulating layers was studied by using the exhaustive photodepopulation spectroscopy. Upon filling the traps by electron tunneling from Si substrate, a broad energy distribution of trap levels in the energy range 2-4 eV is found in all studied insulators with trap densities in the range of 1012 cm-2eV-1. The incorporation of La and Gd cations reduces the trap density in aluminate layers as compared to Al2O3. Crystallization of the insulator by the post-deposition annealing is found to increase the trap density while the energy distribution remains unchanged. The similar trap spectra in the Al2O3 and La or Gd aluminate layers suggest the common nature of the traps, probably originating from imperfections in the AlOx sub-network.

High performance, flexible, poly(3,4-ethylenedioxythiophene) supercapacitors achieved by doping redox mediators in organogel electrolytes

NASA Astrophysics Data System (ADS)

Zhang, Huanhuan; Li, Jinyu; Gu, Cheng; Yao, Mingming; Yang, Bing; Lu, Ping; Ma, Yuguang

2016-11-01

The relatively low energy density is now a central issue hindering the development of supercapacitors as energy storage devices. Various approaches are thus developed to enhance the energy density, mainly centering on the fabrication of electrode materials or optimization of cell configurations. Compared with these approaches, modifications in electrolytes are much simple and versatile. Herein, we integrate the wide voltages endowed by organic electrolytes and the additional capacitances brought by redox mediators, to fabricate high energy density supercapacitors. On the basis of this idea, supercapacitors with poly(3,4-ethylenedioxythiophene) (PEDOT) as electrode material exhibit extended operating voltage of 1.5 V, extraordinary capacitance of 363 F g-1 and high energy density of 27.4 Wh kg-1. The redox mediators reported here, ferrocene and 4-oxo-2,2,6,6-tetramethylpiperidinooxy, are the first time being applied in supercapacitors, especially in the gel state. While providing additional faradaic capacitances, they also exhibit synergistic interaction with PEDOT and improve the cycling stability of supercapacitors.

Thermal Fluid Analysis of the Combustor Test Setup for a US Army Research Laboratory (ARL) Liquid-Fueled Thermophotovoltaic Power Source Demonstrator

DTIC Science & Technology

2015-09-01

requiring only a few hours of running time. In the 10–100 W+ power range, battery technology is the best solution currently available, but higher...energy dense technologies are needed to augment batteries and extend the available energy density well beyond state of the art battery technology. One way...provide comparable energy density to battery technology with the added advantage of instant recharge. One technology being pursued by the US Army

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

A comparison of food pattern, macro- and some micronutrients density of the diet across different socio-economic zones of Tehran

PubMed Central

Abdollahi, Morteza; Salehi, Forouzan; Kalantari, Naser; Asadilari, Mohsen; Khoshfetrat, Mohammad Reza; Ajami, Marjan

2016-01-01

Background: The consumption of low quality foods is common in low socioeconomic areas; and according to epidemiological studies, the density of nutrients often proves the quality of diet. This study aimed to compare the density of macronutrients and micronutrients in various parts of Tehran. Methods: This was a cross-sectional study performed from September to December 2007 in all the 22 districts of the municipality of Tehran including 1,807 households. Experienced interviewers completed a 24-hour recall questionnaire. To estimate the nutrient densities, nutrient intake (grams or milligrams) was calculated per 1,000 kcal energy intake. To calculate the density of energy intake, energy intake (kcal) was divided by 100 g of foodstuff. The 22 districts of Tehran were divided into five zones of north, center, east, west and south. ANOVA and Tukey tests were used. Results: The highest density of protein and fat intake was observed in the north of Tehran, while carbohydrate density was highest in the west, east and south zones, and energy density was highest in the south zone (p<0.05). Calcium and vitamin C had the highest density in the north of Tehran, and vitamin A and riboflavin had the highest density in the north and center of Tehran, and the lowest level in the south of Tehran (p<0.05). Conclusion: Despite the high density of energy in the south of Tehran, a deficiency of micronutrient intake was obvious, reflecting the importance of the impact of socioeconomic factors. PMID:27390710

Relativistically induced transparency acceleration of light ions by an ultrashort laser pulse interacting with a heavy-ion-plasma density gradient.

PubMed

Sahai, Aakash A; Tsung, Frank S; Tableman, Adam R; Mori, Warren B; Katsouleas, Thomas C

2013-10-01

The relativistically induced transparency acceleration (RITA) scheme of proton and ion acceleration using laser-plasma interactions is introduced, modeled, and compared to the existing schemes. Protons are accelerated with femtosecond relativistic pulses to produce quasimonoenergetic bunches with controllable peak energy. The RITA scheme works by a relativistic laser inducing transparency [Akhiezer and Polovin, Zh. Eksp. Teor. Fiz 30, 915 (1956); Kaw and Dawson, Phys. Fluids 13, 472 (1970); Max and Perkins, Phys. Rev. Lett. 27, 1342 (1971)] to densities higher than the cold-electron critical density, while the background heavy ions are stationary. The rising laser pulse creates a traveling acceleration structure at the relativistic critical density by ponderomotively [Lindl and Kaw, Phys. Fluids 14, 371 (1971); Silva et al., Phys. Rev. E 59, 2273 (1999)] driving a local electron density inflation, creating an electron snowplow and a co-propagating electrostatic potential. The snowplow advances with a velocity determined by the rate of the rise of the laser's intensity envelope and the heavy-ion-plasma density gradient scale length. The rising laser is incrementally rendered transparent to higher densities such that the relativistic-electron plasma frequency is resonant with the laser frequency. In the snowplow frame, trace density protons reflect off the electrostatic potential and get snowplowed, while the heavier background ions are relatively unperturbed. Quasimonoenergetic bunches of velocity equal to twice the snowplow velocity can be obtained and tuned by controlling the snowplow velocity using laser-plasma parameters. An analytical model for the proton energy as a function of laser intensity, rise time, and plasma density gradient is developed and compared to 1D and 2D PIC OSIRIS [Fonseca et al., Lect. Note Comput. Sci. 2331, 342 (2002)] simulations. We model the acceleration of protons to GeV energies with tens-of-femtoseconds laser pulses of a few petawatts. The scaling of proton energy with laser power compares favorably to other mechanisms for ultrashort pulses [Schreiber et al., Phys. Rev. Lett. 97, 045005 (2006); Esirkepov et al., Phys. Rev. Lett. 92, 175003 (2004); Silva et al., Phys. Rev. Lett. 92, 015002 (2004); Fiuza et al., Phys. Rev. Lett. 109, 215001 (2012)].

Lead-Free Antiferroelectric Silver Niobate Tantalate with High Energy Storage Performance.

PubMed

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

2017-08-01

Antiferroelectric materials that display double ferroelectric hysteresis loops are receiving increasing attention for their superior energy storage density compared to their ferroelectric counterparts. Despite the good properties obtained in antiferroelectric La-doped Pb(Zr,Ti)O 3 -based ceramics, lead-free alternatives are highly desired due to the environmental concerns, and AgNbO 3 has been highlighted as a ferrielectric/antiferroelectric perovskite for energy storage applications. Enhanced energy storage performance, with recoverable energy density of 4.2 J cm -3 and high thermal stability of the energy storage density (with minimal variation of ≤±5%) over 20-120 °C, can be achieved in Ta-modified AgNbO 3 ceramics. It is revealed that the incorporation of Ta to the Nb site can enhance the antiferroelectricity because of the reduced polarizability of B-site cations, which is confirmed by the polarization hysteresis, dielectric tunability, and selected-area electron diffraction measurements. Additionally, Ta addition in AgNbO 3 leads to decreased grain size and increased bulk density, increasing the dielectric breakdown strength, up to 240 kV cm -1 versus 175 kV cm -1 for the pure counterpart, together with the enhanced antiferroelectricity, accounting for the high energy storage density. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

PubMed

Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

2016-07-14

Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

High-energy non-rechargeable batteries and their applications

NASA Astrophysics Data System (ADS)

Higgins, Robert; Kruger, Ken

1990-04-01

Many of the more recently developed high energy battery systems employ Li anodes, which are capable of energy densities of 700 W h/kg and shelf power-losses of less than 3 percent/yr. It has been noted, however, that some Li-based systems exhibit 'voltage sag' during storage and pose some safety problems in cases of inadvertent abuse. The two highest energy-output yielding of the current Li systems, namely Li/CF(x) spiral cells and Li/thionyl chloride liquid cathode cells, are presented and compared with a Zn/AgO electrochemical (aqueous) battery system which, although of older design, is still capable of substantial energy densities.

Axions, neutrinos and strings: The formation of structure in an SO(10) universe

NASA Technical Reports Server (NTRS)

Stecker, F. W.

1984-01-01

In a class of grand unified theories containing SO(10), cosmologically significant axion and neutrino energy densities are obtainable naturally. To obtain large scale structure, both components of dark matter are considered to exist with comparable energy densities. To obtain large scale structure, inflationary and non-inflationary scenarios are considered, as well as scenarios with and without vacuum strings. It is shown that inflation may be compatible with recent observations of the mass density within galaxy clusters and superclusters, especially if strings are present.

Axions, neutrinos and strings - The formation of structure in an SO(10) universe

NASA Technical Reports Server (NTRS)

Stecker, F. W.

1986-01-01

In a class of grand unified theories containing SO(10), cosmologically significant axion and neutrino energy densities are obtainable naturally. To obtain large scale structure, both components of dark matter are considered to exist with comparable energy densities. To obtain large scale structure, inflationary and non-inflationary scenarios are considered, as well as scenarios with and without vacuum strings. It is shown that inflation may be compatible with recent observations of the mass density within galaxy clusters and superclusters, especially if strings are present.

Nonstationary Dynamics Data Analysis with Wavelet-SVD Filtering

NASA Technical Reports Server (NTRS)

Brenner, Marty; Groutage, Dale; Bessette, Denis (Technical Monitor)

2001-01-01

Nonstationary time-frequency analysis is used for identification and classification of aeroelastic and aeroservoelastic dynamics. Time-frequency multiscale wavelet processing generates discrete energy density distributions. The distributions are processed using the singular value decomposition (SVD). Discrete density functions derived from the SVD generate moments that detect the principal features in the data. The SVD standard basis vectors are applied and then compared with a transformed-SVD, or TSVD, which reduces the number of features into more compact energy density concentrations. Finally, from the feature extraction, wavelet-based modal parameter estimation is applied.

Influence of the first wall material on the particle fuelling in ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Lunt, T.; Reimold, F.; Wolfrum, E.; Carralero, D.; Feng, Y.; Schmid, K.; the ASDEX Upgrade Team

2017-05-01

In the period from 2002 to 2007 the material of the plasma facing components (PFCs) of ASDEX Upgrade (AUG) was changed from carbon (C) to tungsten (W). Comparing the measured density profiles of low-density L-mode discharges with little or no gas puff before and after this modification, a significantly higher pedestal-top density was found for W PFCs together with a steeper gradient and a lower pedestal temperature. This change can be explained by larger particle- and energy reflection coefficients for D on W compared to D on C, as shown by EMC3-EIRENE simulations of AUG discharges in similar conditions on a computational grid extending to the main chamber first wall. In the simulations, a change of the wall material at fixed separatrix density indeed shows that for W PFCs more neutrals cross the separatrix, resulting in a steeper density gradient. Analysis of the source resolved and poloidally resolved neutral flux densities across the separatrix show a dominant contribution of the divertor targets to the fuelling profile in the simulation of the low density case. Increasing the density decreases the electron temperature at the target and therefore the potential drop in the electrostatic sheath as well as the energy of the ions impinging on the surface. Neutrals with ∼eV energies, able to reach the separatrix, are then only produced via molecular dissociation processes in the plasma volume independently of the PFC material. Also the contribution of the main chamber PFCs to the fuelling is observed to increase at higher densities.

Directly Grown Nanostructured Electrodes for High Volumetric Energy Density Binder-Free Hybrid Supercapacitors: A Case Study of CNTs//Li4Ti5O12

PubMed Central

Zuo, Wenhua; Wang, Chong; Li, Yuanyuan; Liu, Jinping

2015-01-01

Hybrid supercapacitor (HSC), which typically consists of a Li-ion battery electrode and an electric double-layer supercapacitor electrode, has been extensively investigated for large-scale applications such as hybrid electric vehicles, etc. Its application potential for thin-film downsized energy storage systems that always prefer high volumetric energy/power densities, however, has not yet been explored. Herein, as a case study, we develop an entirely binder-free HSC by using multiwalled carbon nanotube (MWCNT) network film as the cathode and Li4Ti5O12 (LTO) nanowire array as the anode and study the volumetric energy storage capability. Both the electrode materials are grown directly on carbon cloth current collector, ensuring robust mechanical/electrical contacts and flexibility. Our 3 V HSC device exhibits maximum volumetric energy density of ~4.38 mWh cm−3, much superior to those of previous supercapacitors based on thin-film electrodes fabricated directly on carbon cloth and even comparable to the commercial thin-film lithium battery. It also has volumetric power densities comparable to that of the commercial 5.5 V/100 mF supercapacitor (can be operated within 3 s) and has excellent cycling stability (~92% retention after 3000 cycles). The concept of utilizing binder-free electrodes to construct HSC for thin-film energy storage may be readily extended to other HSC electrode systems. PMID:25586374

Mapping out the QCD phase transition in multiparticle production

NASA Astrophysics Data System (ADS)

Kabana, Sonja; Minkowski, Peter

2001-04-01

We analyse multiparticle production in a thermal framework for seven central nucleus + nucleus collisions, e+ + e- annihilation into hadrons on the Z resonance and four hadronic reactions p + p and p + pbar with partial centrality selection), with centre of mass energies ranging from √(s) = 2.6 GeV (per nucleon pair) to 1.8 TeV. Thermodynamic parameters at chemical freeze-out (temperature and baryon and strangeness fugacities) are obtained from appropriate fits, generally improving in quality for reactions subjected to centrality cuts. All systems with non-vanishing fugacities are extrapolated along trajectories of equal energy density, density and entropy density to zero fugacities. The so-obtained temperatures extrapolated to zero fugacities as a function of initial energy density ɛin universally show a strong rise followed by a saturating limit of Tlim = 155 +/- 6 +/- 20 MeV. We interpret this behaviour as mapping out the boundary between quark gluon plasma and hadronic phases. The ratio of strange antiquarks to light ones as a function of the initial energy density ɛin shows the same behaviour as the temperature, saturating at a value of 0.365 +/- 0.033 +/- 0.07. No distinctive feature of `strangeness enhancement' is seen for heavy ion collisions relative to hadronic and leptonic reactions, when compared at the same initial energy density.

Energy density, nutrient adequacy, and cost per serving can provide insight into food choices in the lower Mississippi Delta.

PubMed

Connell, Carol L; Zoellner, Jamie M; Yadrick, M Kathleen; Chekuri, Srinivasa C; Crook, Lashaundrea B; Bogle, Margaret L

2012-01-01

To compare differences across food groups for food cost, energy, and nutrient profiles of 100 items from a cross-sectional survey of 225 stores in 18 counties across the Lower Mississippi Delta of Arkansas, Louisiana, and Mississippi. Energy, nutrient, and cost profiles for food items were calculated by using Naturally Nutrient Rich methodology and converting price per 100 g edible portion to price per serving. Foods were grouped into 6 food groups. Mean differences were compared with ANOVA. Significant differences existed by food group for each measure. Energy density was highest for fats/oils/sweets, whereas nutrient density was highest for vegetables. Price per serving was lowest for fats/oils/sweets and highest for meats. Educational messages focusing on a complete diet should consider the role of food costs and provide specific recommendations for increasing nutrient-dense foods by replacing a portion of the meat serving at meals with culturally acceptable lower-cost nutrient-dense foods. Copyright © 2012 Society for Nutrition Education and Behavior. Published by Elsevier Inc. All rights reserved.

High power density yeast catalyzed microbial fuel cells

NASA Astrophysics Data System (ADS)

Ganguli, Rahul

Microbial fuel cells leverage whole cell biocatalysis to convert the energy stored in energy-rich renewable biomolecules such as sugar, directly to electrical energy at high efficiencies. Advantages of the process include ambient temperature operation, operation in natural streams such as wastewater without the need to clean electrodes, minimal balance-of-plant requirements compared to conventional fuel cells, and environmentally friendly operation. These make the technology very attractive as portable power sources and waste-to-energy converters. The principal problem facing the technology is the low power densities compared to other conventional portable power sources such as batteries and traditional fuel cells. In this work we examined the yeast catalyzed microbial fuel cell and developed methods to increase the power density from such fuel cells. A combination of cyclic voltammetry and optical absorption measurements were used to establish significant adsorption of electron mediators by the microbes. Mediator adsorption was demonstrated to be an important limitation in achieving high power densities in yeast-catalyzed microbial fuel cells. Specifically, the power densities are low for the length of time mediator adsorption continues to occur. Once the mediator adsorption stops, the power densities increase. Rotating disk chronoamperometry was used to extract reaction rate information, and a simple kinetic expression was developed for the current observed in the anodic half-cell. Since the rate expression showed that the current was directly related to microbe concentration close to the electrode, methods to increase cell mass attached to the anode was investigated. Electrically biased electrodes were demonstrated to develop biofilm-like layers of the Baker's yeast with a high concentration of cells directly connected to the electrode. The increased cell mass did increase the power density 2 times compared to a non biofilm fuel cell, but the power density increase was shown to quickly saturate with cell mass attached on the electrode. Based on recent modelling data that suggested that the electrode currents might be limited by the poor electrical conductivity of the anode, the power density versus electrical conductivity of a yeast-immobilized anode was investigated. Introduction of high aspect ratio carbon fiber filaments to the immobilization matrix increased the electrical conductivity of the anode. Although a higher electrical conductivity clearly led to an increase in power densities, it was shown that the principal limitation to power density increase was coming from proton transfer limitations in the immobilized anode. Partial overcoming of the gradients lead a power density of ca. 250 microW cm-2, which is the highest reported for yeast powered MFCs. A yeast-catalyzed microbial fuel cell was investigated as a power source for low power sensors using raw tree sap. It was shown that yeast can efficiently utilize the sucrose present in the raw tree sap to produce electricity when excess salt is added to the medium. Therefore the salinity of a potential energy source is an important consideration when MFCs are being considered for energy harvesting from natural sources.

Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion.

PubMed

Kolpak, Alexie M; Grossman, Jeffrey C

2013-01-21

Challenges with cost, cyclability, and/or low energy density have largely prevented the development of solar thermal fuels, a potentially attractive alternative energy technology based on molecules that can capture and store solar energy as latent heat in a closed cycle. In this paper, we present a set of novel hybrid photoisomer/template solar thermal fuels that can potentially circumvent these challenges. Using first-principles computations, we demonstrate that these fuels, composed of organic photoisomers bound to inexpensive carbon-based templates, can reversibly store solar energy at densities comparable to Li-ion batteries. Furthermore, we show that variation of the template material in combination with the photoisomer can be used to optimize many of the key performance metrics of the fuel-i.e., the energy density, the storage lifetime, the temperature of the output heat, and the efficiency of the solar-to-heat conversion. Our work suggests that the solar thermal fuels concept can be translated into a practical and highly customizable energy storage and conversion technology.

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.

The experimental charge-density approach in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide.

PubMed

Abramov, Y A; Volkov, A; Wu, G; Coppens, P

2000-11-01

A new module interfaced to the XD programming package has been used in the evaluation of intermolecular interactions and lattice energies of the crystals of p-nitroaniline, L-asparagine monohydrate and the pentapeptide Boc-Gln-D-Iva-Hyp-Ala-Phol (Boc = butoxycarbonyl, Iva = isovaline = ethylalanine, Phol = phenylalaninol). The electrostatic interactions are evaluated with the atom-centered distributed multipoles from KRMM (kappa'-restricted multipole model) refinements, using the Buckingham expression for non-overlapping charge densities. Results for p-nitroaniline are compared with Hartree-Fock (HF), density functional (DFT) and Moller-Plesset (MP2) supermolecular calculations and with HF and DFT periodic calculations. The HF and DFT methods fail to predict the stability of the p-nitroaniline crystal but the results of the experimental charge-density approach (ECDA) are in good agreement with both MP2 interaction energies and the experimental lattice energy. ECDA results for L-asparagine monohydrate compare well with those from DFT supermolecular and periodic HF calculations. The disorder of the terminal group in the pentapeptide, which persists at the experimental temperature of 20 K, corresponds to an energy difference of only 0.35 kJ mol(-1), which is too small to be reproduced with current methods.

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.

The energy density of laser light differentially modulates the skin morphological reorganization in a murine model of healing by secondary intention

PubMed Central

Novaes, Rômulo D; Gonçalves, Reggiani V; Cupertino, Marli C; Araújo, Bruna M; Rezende, Rafael M; Santos, Eliziária C; Leite, João Paulo V; Matta, Sérgio Luis P

2014-01-01

This study investigates the influence of gallium–arsenide (GaAs) laser photobiostimulation applied with different energy densities on skin wound healing by secondary intention in rats. Three circular wounds, 10 mm in diameter, were made on the dorsolateral region of 21 Wistar rats weighting 282.12 ± 36.08 g. The animals were equally randomized into three groups: Group SAL, saline solution 0.9%; Group L3, laser GaAs 3 J/cm2; Group L30, laser GaAs 30 J/cm2. Analyses of cells, blood vessels, collagen and elastic fibres, glycosaminoglycans and wound contraction were performed on the scar tissue from different wounds every 7 days for 21 days. On day 7, 14 and 21, L3 and L30 showed higher collagen and glycosaminoglycan levels compared to SAL (P < 0.05). At day 21, elastic fibres were predominant in L3 and L30 compared to SAL (P < 0.05). Type-III collagen fibres were predominant at day 7 in both groups. There was gradual reduction in these fibres and accumulation of type-I collagen over time, especially in L3 and L30 compared with SAL. Elevated density of blood vessels was seen in L30 on days 7 and 14 compared to the other groups (P < 0.05). On these same days, there was higher tissue cellularity in L3 compared with SAL (P < 0.05). The progression of wound closure during all time points investigated was higher in the L30 group (P < 0.05). Both energy densities investigated increased the tissue cellularity, vascular density, collagen and elastic fibres, and glycosaminoglycan synthesis, with the greater benefits for wound closure being found at the density of 30 J/cm2. PMID:24354418

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Hierarchically porous Li3VO4/C nanocomposite as an advanced anode material for high-performance lithium-ion capacitors

NASA Astrophysics Data System (ADS)

Xu, Xuena; Niu, Feier; Zhang, Dapeng; Chu, Chenxiao; Wang, Chunsheng; Yang, Jian; Qian, Yitai

2018-04-01

Lithium-ion capacitors, as a hybrid electrochemical energy storage device, realize high specific energy and power density within one device, thus attracting extensive attention. Here, hierarchically porous Li3VO4/C nanocomposite is prepared by a solvo-thermal reaction, followed with a post-annealing process. This composite has macropores at the center and mesopores in the wall, thus effectively promoting electrolyte penetration and structure stability upon cycling simultaneously. Compared to mesoporous Li3VO4, the enhanced rate capability and specific capacity of hierarchically porous Li3VO4/C indicate the synergistic effect of mesopores and macropores. Inspired by these results, this composite is coupled with mesoporous carbon (CMK-3) for lithium-ion capacitors, generating a specific energy density of 105 Wh kg-1 at a power density of 188 W kg-1. Even if the power density increases to 9.3 kW kg-1, the energy density still remains 62 Wh kg-1. All these results demonstrate the promising potential of hierarchically porous Li3VO4 in lithium ion capacitors.

Energy Dependence of Particle Multiplicities in Central Au+Au Collisions

NASA Astrophysics Data System (ADS)

Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Corbo, J.; Decowski, M. P.; Garcia, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Henderson, C.; Hicks, D.; Hofman, D.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A.; Mülmenstädt, J.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Rafelski, M.; Rbeiz, M.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

2002-01-01

We present the first measurement of the pseudorapidity density of primary charged particles in Au+Au collisions at (sNN) = 200 GeV. For the 6% most central collisions, we obtain dNch/dη\\|\\|η\\|<1 = 650+/-35(syst). Compared to collisions at (sNN) = 130 GeV, the highest energy studied previously, an increase by a factor of 1.14+/-0.05 at 90% confidence level, is found. The energy dependence of the pseudorapidity density is discussed in comparison with data from proton-induced collisions and theoretical predictions.

Effect of density and weight of load on the energy cost of carrying loads by donkeys and ponies.

PubMed

Pearson, R A; Dijkman, J T; Krecek, R C; Wright, P

1998-02-01

Two experiments were designed to compare the energy used in carrying loads by donkeys and ponies. In the first experiment 3 donkeys and 3 ponies were compared on treadmills in the UK. Density of load (lead shot or straw) had no significant effect on the energy cost of carrying loads; however, the energy cost of carrying a load decreased significantly (p < 0.001) as the weight of the load increased (in donkeys 6.44, 4.35 and 3.03 J/kg load/m, in ponies 5.82, 3.75 and 3.68 J/kg load/m, for loads of 13, 20 and 27 kg/100 kg liveweight (M) respectively). Differences between species were not significant. In the second experiment energy expenditures were determined in 3 donkeys carrying loads equivalent to 40 kg/100 kg M over gently undulating gravel tracks in Tunisia. Energy costs of carrying the load were 2.34 (SE 0.07) J/kg load/m. The results of both experiments showed that provided the load is balanced, density does not significantly affect the energy cost of carrying; however, as the load increased then the unit energy cost of carrying it decreased. This suggest that it is more efficient in terms of energy used to carry loads equivalent to 27 to 40 kg/100 kg M than it is to carry lighter loads to less than 20 kg/100 kg M.

Varying stopping and self-focusing of intense proton beams as they heat solid density matter

NASA Astrophysics Data System (ADS)

Kim, J.; McGuffey, C.; Qiao, B.; Wei, M. S.; Grabowski, P. E.; Beg, F. N.

2016-04-01

Transport of intense proton beams in solid-density matter is numerically investigated using an implicit hybrid particle-in-cell code. Both collective effects and stopping for individual beam particles are included through the electromagnetic fields solver and stopping power calculations utilizing the varying local target conditions, allowing self-consistent transport studies. Two target heating mechanisms, the beam energy deposition and Ohmic heating driven by the return current, are compared. The dependences of proton beam transport in solid targets on the beam parameters are systematically analyzed, i.e., simulations with various beam intensities, pulse durations, kinetic energies, and energy distributions are compared. The proton beam deposition profile and ultimate target temperature show strong dependence on intensity and pulse duration. A strong magnetic field is generated from a proton beam with high density and tight beam radius, resulting in focusing of the beam and localized heating of the target up to hundreds of eV.

Varying stopping and self-focusing of intense proton beams as they heat solid density matter

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

Kim, J.; McGuffey, C., E-mail: cmcguffey@ucsd.edu; Qiao, B.

2016-04-15

Transport of intense proton beams in solid-density matter is numerically investigated using an implicit hybrid particle-in-cell code. Both collective effects and stopping for individual beam particles are included through the electromagnetic fields solver and stopping power calculations utilizing the varying local target conditions, allowing self-consistent transport studies. Two target heating mechanisms, the beam energy deposition and Ohmic heating driven by the return current, are compared. The dependences of proton beam transport in solid targets on the beam parameters are systematically analyzed, i.e., simulations with various beam intensities, pulse durations, kinetic energies, and energy distributions are compared. The proton beam depositionmore » profile and ultimate target temperature show strong dependence on intensity and pulse duration. A strong magnetic field is generated from a proton beam with high density and tight beam radius, resulting in focusing of the beam and localized heating of the target up to hundreds of eV.« less

Stable electrolyte for high voltage electrochemical double-layer capacitors

DOE PAGES

Ruther, Rose E.; Sun, Che -Nan; Holliday, Adam; ...

2016-12-28

A simple electrolyte consisting of NaPF 6 salt in 1,2-dimethoxyethane (DME) can extend the voltage window of electric double-layer capacitors (EDLCs) to >3.5 V. DME does not passivate carbon electrodes at very negative potentials (near Na/Na +), extending the practical voltage window by about 1.0 V compared to standard, non-aqueous electrolytes based on acetonitrile. The voltage window is demonstrated in two- and three-electrode cells using a combination of electrochemical impedance spectroscopy (EIS), charge-discharge cycling, and measurements of leakage current. DME-based electrolytes cannot match the high conductivity of acetonitrile solutions, but they can satisfy applications that demand high energy density atmore » moderate power. The conductivity of NaPF 6 in DME is comparable to commercial lithium-ion battery electrolytes and superior to most ionic liquids. Lastly, factors that limit the voltage window and EDLC energy density are discussed, and strategies to further boost energy density are proposed.« less

A new method to measure electron density and effective atomic number using dual-energy CT images

NASA Astrophysics Data System (ADS)

Ramos Garcia, Luis Isaac; Pérez Azorin, José Fernando; Almansa, Julio F.

2016-01-01

The purpose of this work is to present a new method to extract the electron density ({ρ\\text{e}} ) and the effective atomic number (Z eff) from dual-energy CT images, based on a Karhunen-Loeve expansion (KLE) of the atomic cross section per electron. This method was used to calibrate a Siemens Definition CT using the CIRS phantom. The predicted electron density and effective atomic number using 80 kVp and 140 kVp were compared with a calibration phantom and an independent set of samples. The mean absolute deviations between the theoretical and calculated values for all the samples were 1.7 %  ±  0.1 % for {ρ\\text{e}} and 4.1 %  ±  0.3 % for Z eff. Finally, these results were compared with other stoichiometric method. The application of the KLE to represent the atomic cross section per electron is a promising method for calculating {ρ\\text{e}} and Z eff using dual-energy CT images.

Mid-Infrared Spectroscopy Analysis of the Effects of Erbium, Chromium:Yattrium-Scandium-Gallium-Garnet (Er,Cr:YSGG) Laser Irradiation on Bone Mineral and Organic Components.

PubMed

Benetti, Carolina; Ana, Patricia Aparecida; Bachmann, Luciano; Zezell, Denise Maria

2015-12-01

The effects of varying the energy density of a high-intensity erbium, chromium: yttrium-scandium-gallium-garnet (Er,Cr:YSGG) laser on the mineral and organic components of bone tissue were evaluated using Fourier transform infrared spectroscopy. Bone samples obtained from the tibias of rabbits were irradiated with five energy densities (3, 6, 8, 12, and 15 J/cm(2)), and the effects on the carbonate to phosphate ratio and in the organic components were compared with those of nonirradiated samples. The increased temperature during the laser irradiation was also measured using infrared thermography to relate the observed spectral changes to the laser thermal effects. The analyses of the infrared spectra suggests that the irradiation with Er,Cr:YSGG promoted changes in bone tissue in both the mineral and organic components that depend on the laser energy density, pointing to the importance of using the proper energy density in clinical procedures.

Electrode Materials, Electrolytes, and Challenges in Nonaqueous Lithium-Ion Capacitors.

PubMed

Li, Bing; Zheng, Junsheng; Zhang, Hongyou; Jin, Liming; Yang, Daijun; Lv, Hong; Shen, Chao; Shellikeri, Annadanesh; Zheng, Yiran; Gong, Ruiqi; Zheng, Jim P; Zhang, Cunman

2018-04-01

Among the various energy-storage systems, lithium-ion capacitors (LICs) are receiving intensive attention due to their high energy density, high power density, long lifetime, and good stability. As a hybrid of lithium-ion batteries and supercapacitors, LICs are composed of a battery-type electrode and a capacitor-type electrode and can potentially combine the advantages of the high energy density of batteries and the large power density of capacitors. Here, the working principle of LICs is discussed, and the recent advances in LIC electrode materials, particularly activated carbon and lithium titanate, as well as in electrolyte development are reviewed. The charge-storage mechanisms for intercalative pseudocapacitive behavior, battery behavior, and conventional pseudocapacitive behavior are classified and compared. Finally, the prospects and challenges associated with LICs are discussed. The overall aim is to provide deep insights into the LIC field for continuing research and development of second-generation energy-storage technologies. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.

PubMed

Łazarski, Roman; Burow, Asbjörn Manfred; Grajciar, Lukáš; Sierka, Marek

2016-10-30

A full implementation of analytical energy gradients for molecular and periodic systems is reported in the TURBOMOLE program package within the framework of Kohn-Sham density functional theory using Gaussian-type orbitals as basis functions. Its key component is a combination of density fitting (DF) approximation and continuous fast multipole method (CFMM) that allows for an efficient calculation of the Coulomb energy gradient. For exchange-correlation part the hierarchical numerical integration scheme (Burow and Sierka, Journal of Chemical Theory and Computation 2011, 7, 3097) is extended to energy gradients. Computational efficiency and asymptotic O(N) scaling behavior of the implementation is demonstrated for various molecular and periodic model systems, with the largest unit cell of hematite containing 640 atoms and 19,072 basis functions. The overall computational effort of energy gradient is comparable to that of the Kohn-Sham matrix formation. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Measurement of Electron Density Using the Multipole Resonance Probe, Langmuir Probe and Optical Emission Spectroscopy in Low Pressure Plasmas with Different Electron Energy Distribution Functions

NASA Astrophysics Data System (ADS)

Oberberg, Moritz; Bibinov, Nikita; Ries, Stefan; Awakowicz, Peter; Institute of Electrical Engineering; Plasma Technology Team

2016-09-01

In recently publication, the young diagnostic tool Multipole Resonance Probe (MRP) for electron density measurements was introduced. It is based on active plasma resonance spectroscopy (APRS). The probe was simulated und evaluated for different devices. The geometrical and electrical symmetry simplifies the APRS model, so that the electron density can be easily calculated from the measured resonance. In this work, low pressure nitrogen mixture plasmas with different electron energy distribution functions (EEDF) are investigated. The results of the MRP measurement are compared with measurements of a Langmuir Probe (LP) and Optical Emission Spectroscopy (OES). Probes and OES measure in different regimes of kinetic electron energy. Both probes measure electrons with low kinetic energy (<10 eV), whereas the OES is influenced by electrons with high kinetic energy which are needed for transitions of molecule bands. By the determination of the absolute intensity of N2(C-B) and N2+(B-X)electron temperature and density can be calculated. In a non-maxwellian plasma, all plasma diagnostics need to be combined.

Density function theory study of the adsorption and dissociation of carbon monoxide on tungsten nanoparticles.

PubMed

Weng, Meng-Hsiung; Ju, Shin-Pon; Chen, Hsin-Tsung; Chen, Hui-Lung; Lu, Jian-Ming; Lin, Ken-Huang; Lin, Jenn-Sen; Hsieh, Jin-Yuan; Yang, Hsi-Wen

2013-02-01

The adsorption and dissociation properties of carbon monoxide (CO) molecule on tungsten W(n) (n = 10-15) nanoparticles have been investigated by density-functional theory (DFT) calculations. The lowest-energy structures for W(n) (n = 10-15) nanoparticles are found by the basin-hopping method and big-bang method with the modified tight-binding many-body potential. We calculated the corresponding adsorption energies, C-O bond lengths and dissociation barriers for adsorption of CO on nanoparticles. The electronic properties of CO on nanoparticles are studied by the analysis of density of state and charge density. The characteristic of CO on W(n) nanoparticles are also compared with that of W bulk.

Spectral densities for Frenkel exciton dynamics in molecular crystals: A TD-DFTB approach

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Megow, Jörg; Niehaus, Thomas; Kühn, Oliver

2017-02-01

Effects of thermal fluctuations on the electronic excitation energies and intermonomeric Coulomb couplings are investigated for a perylene-tetracarboxylic-diimide crystal. To this end, time dependent density functional theory based tight binding (TD-DFTB) in the linear response formulation is used in combination with electronic ground state classical molecular dynamics. As a result, a parametrized Frenkel exciton Hamiltonian is obtained, with the effect of exciton-vibrational coupling being described by spectral densities. Employing dynamically defined normal modes, these spectral densities are analyzed in great detail, thus providing insight into the effect of specific intramolecular motions on excitation energies and Coulomb couplings. This distinguishes the present method from approaches using fixed transition densities. The efficiency by which intramolecular contributions to the spectral density can be calculated is a clear advantage of this method as compared with standard TD-DFT.

High Energy Density Dielectrics for Pulsed Power Applications

DTIC Science & Technology

2008-09-01

Energy/Power/Thermal Division //Signature// DEREK M. LINCOLN, Major, USAF Deputy Chief Energy/Power/Thermal Division Propulsion Directorate...comparative study," J. Vac. Sci. Technol. A 16, (1998), 2804-2815. 11 T.T. Leung and C.W. Ong . “Nearly amorphous to epitxial growth of aluminum nitride

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.

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.

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

First results from the PHOBOS experiment at RHIC

NASA Astrophysics Data System (ADS)

Wuosmaa, A. H.; Back, B. B.; Baker, M. D.; Barton, D. S.; Basilev, S.; Bates, B. D.; Baum, R.; Betts, R. R.; Białas, A.; Bindel, R.; Bogucki, W.; Budzanowski, A.; Busza, W.; Carroll, A.; Ceglia, M.; Chang, Y.-H.; Chen, A. E.; Coghen, T.; Conner, C.; Czyz, W.; Dabrowski, B.; Decowski, M. P.; Despet, M.; Fita, P.; Fitch, J.; Friedl, M.; Galuska, K.; Ganz, R.; Garcia, E.; George, N.; Godlewski, J.; Gomes, C.; Griesmayer, E.; Gulbrandsen, K.; Gushue, S.; Halik, J.; Halliwell, C.; Haridas, P.; Hayes, A.; Heintzelman, G. A.; Henderson, C.; Hollis, R.; Hołynski, R.; Holzman, B.; Johnson, E.; Kane, J.; Katzy, J.; Kita, W.; Kotuła, J.; Kraner, H.; Kucewicz, W.; Kulinich, P.; Law, C.; Lemler, M.; Ligocki, J.; Lin, W. T.; Manly, S.; McCleod, D.; Michałowski, J.; Mignerey, A.; Mülmenstädt, J.; Neal, M.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Patel, M.; Pernegger, H.; Plesko, M.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Ross, D.; Rosenberg, L.; Ryan, J.; Sanzgiri, A.; Sarin, P.; Sawicki, P.; Scaduto, J.; Shea, J.; Sinacore, J.; Skulski, W.; Steadman, S. G.; Stephans, G. S. F.; Steinberg, P.; Straczek, A.; Stodulski, M.; Strek, M.; Stopa, Z.; Sukhanov, A.; Surowiecka, K.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Wozniak, K.; Wuosmaa, A. H.; Wysłouch, B.; Zalewski, K.; Zychowski, P.

2001-07-01

The PHOBOS experiment at RHIC has measured the charged-particle density dN/dη at mid-rapidity for central Au+Au collisions at center of mass energies of √sNN =56, and 130 GeV. We deduce that dN/dη=408±12(stat)±30(syst) and 555±12(stat)±35(syst) for collision energies of 56 GeV and 130 GeV, respectively. These numbers suggest energy densities that are some 70% higher than have been achieved in any heavy-ion collisions previously studied, and also 25-40% higher than nucleon-nucleon collisions at comparable center of mass energies.

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

Chauhan, Aditya; Patel, Satyanarayan; Vaish, Rahul, E-mail: rahul@iitmandi.ac.in

With the advent of modern power electronics, embedded circuits and non-conventional energy harvesting, the need for high performance capacitors is bound to become indispensible. The current state-of-art employs ferroelectric ceramics and linear dielectrics for solid state capacitance. However, lead-free ferroelectric ceramics propose to offer significant improvement in the field of electrical energy storage owing to their high discharge efficiency and energy storage density. In this regards, the authors have investigated the effects of compressive stress as a means of improving the energy storage density of lead-free ferroelectric ceramics. The energy storage density of 0.91(Bi{sub 0.5}Na{sub 0.5})TiO{sub 3}-0.07BaTiO{sub 3}-0.02(K{sub 0.5}Na{sub 0.5})NbO{submore » 3} ferroelectric bulk ceramic was analyzed as a function of varying levels of compressive stress and operational temperature .It was observed that a peak energy density of 387 mJ.cm{sup -3} was obtained at 100 MPa applied stress (25{sup o}C). While a maximum energy density of 568 mJ.cm{sup -3} was obtained for the same stress at 80{sup o}C. These values are indicative of a significant, 25% and 84%, improvement in the value of stored energy compared to an unloaded material. Additionally, material's discharge efficiency has also been discussed as a function of operational parameters. The observed phenomenon has been explained on the basis of field induced structural transition and competitive domain switching theory.« less

Bactericide effect of methylene blue associated with low-level laser therapy in Escherichia coli bacteria isolated from pressure ulcers.

PubMed

Gomes, Thais Ferreira; Pedrosa, Matheus Masalskiene; de Toledo, Ana Claudia Laforga; Arnoni, Veridiana Wanshi; Dos Santos Monteiro, Mirian; Piai, Davi Cury; Sylvestre, Silvia Helena Zacarias; Ferreira, Bruno

2018-05-09

The present study analyzed the bactericidal effect of methylene blue associated with low-level lasers on Escherichia coli isolated from a pressure ulcer. Microbiological material from a pressure ulcer was isolated using an aseptic swab, and antimicrobial activity was verified using the diffusion disc method. Methylene blue was used at concentrations of 0.001 and 0.005%, and low-level lasers of 670, 830, and 904 nm, with the energy densities of 4, 8, 10, and 14 J/cm 2 , were tested on three plates each and combined with methylene blue of each concentration. In addition, three control plates were used, with each concentration and energy density separated without any interventions. The results were analyzed using the paired sample t test to determine the bactericidal effect of the methylene blue and using the ANOVA test to compare the effects of the energy densities and wavelengths among the low-level laser treatment protocols. The results showed bacterial reduction at wavelengths of 830 and 904 nm and more proliferation in wavelengths of 670 nm. In wavelength of 830 nm, a bacterial reduction was observed in the conditions with 0.001% methylene blue in all energy density utilized, with 0.005% methylene blue in energy density of 10 J/cm 2 , and without methylene blue in energy density at 10 J/cm 2 . And in a wavelength of 904 nm, all condition showed bacterial reduction with or without methylene blue. We concluded that the low-level lasers of 904 and 830 nm have bactericidal effects and at better energy densities (10 and 14 J/cm 2 ).

Pillared Structure Design of MXene with Ultralarge Interlayer Spacing for High-Performance Lithium-Ion Capacitors.

PubMed

Luo, Jianmin; Zhang, Wenkui; Yuan, Huadong; Jin, Chengbin; Zhang, Liyuan; Huang, Hui; Liang, Chu; Xia, Yang; Zhang, Jun; Gan, Yongping; Tao, Xinyong

2017-03-28

Two-dimensional transition-metal carbide materials (termed MXene) have attracted huge attention in the field of electrochemical energy storage due to their excellent electrical conductivity, high volumetric capacity, etc. Herein, with inspiration from the interesting structure of pillared interlayered clays, we attempt to fabricate pillared Ti 3 C 2 MXene (CTAB-Sn(IV)@Ti 3 C 2 ) via a facile liquid-phase cetyltrimethylammonium bromide (CTAB) prepillaring and Sn 4+ pillaring method. The interlayer spacing of Ti 3 C 2 MXene can be controlled according to the size of the intercalated prepillaring agent (cationic surfactant) and can reach 2.708 nm with 177% increase compared with the original spacing of 0.977 nm, which is currently the maximum value according to our knowledge. Because of the pillar effect, the assembled LIC exhibits a superior energy density of 239.50 Wh kg -1 based on the weight of CTAB-Sn(IV)@Ti 3 C 2 even under higher power density of 10.8 kW kg -1 . When CTAB-Sn(IV)@Ti 3 C 2 anode couples with commercial AC cathode, LIC reveals higher energy density and power density compared with conventional MXene materials.

Stochastic density functional theory at finite temperatures

NASA Astrophysics Data System (ADS)

Cytter, Yael; Rabani, Eran; Neuhauser, Daniel; Baer, Roi

2018-03-01

Simulations in the warm dense matter regime using finite temperature Kohn-Sham density functional theory (FT-KS-DFT), while frequently used, are computationally expensive due to the partial occupation of a very large number of high-energy KS eigenstates which are obtained from subspace diagonalization. We have developed a stochastic method for applying FT-KS-DFT, that overcomes the bottleneck of calculating the occupied KS orbitals by directly obtaining the density from the KS Hamiltonian. The proposed algorithm scales as O (" close=")N3T3)">N T-1 and is compared with the high-temperature limit scaling O Limiting factors for carbon based chemical double layer capacitors

NASA Technical Reports Server (NTRS)

Rose, M. Frank; Johnson, C.; Owens, T.; Stevens, B.

1993-01-01

The Chemical Double Layer (CDL) capacitor improves energy storage density dramatically when compared with conventional electrolytic capacitors. When compared to batteries, the CDL Capacitor is much less energy dense; however, the power density is orders of magnitude better. As a result, CDL-battery combinations present an interesting pulse power system with many potential applications. Due to the nature of the CDL it is inherently a low voltage device. The applications of the CDL can be tailored to auxiliary energy and burst mode storages which require fast charge/discharge cycles. Typical of the applications envisioned are power system backup, directed energy weapons concepts, electric automobiles, and electric actuators. In this paper, we will discuss some of the general characteristics of carbon-based CDL technology describing the structure, performance parameters, and methods of construction. Further, analytical and experimental results which define the state of the art are presented and described in terms of impact on applications.

Performance of the DFTB method in comparison to DFT and semiempirical methods for geometries and energies of C20-C86fullerene isomers

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

Zheng, Guishan; Irle, Stephan; Morokuma, Keiji

2005-07-20

The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The performance of both non-iterative (NCC) and self-consistent charge (SCC) versions of the density functional tight binding (DFTB) method, as well as AM1 and PM3 methods, has been compared with the B3LYP method, a hybrid density functional theory (DFT) method, for equilibrium geometries and relative energies of various isomers of C20–C86 fullerenes. Both NCC- and SCCDFTB methods compare very favorablymore » with B3LYP both in geometries and isomer relative energies, while AM1 and PM3 do noticeably worse.« less

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

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

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.

Prediction of electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor: an ab-initio study

NASA Astrophysics Data System (ADS)

Mayengbam, Rishikanta; Tripathy, S. K.; Pandey, B. P.

2018-03-01

In this paper, we have investigated the structural, electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor using generalized gradient approximation (GGA) within density functional theory (DFT). We have calculated the optimized lattice constants (a and c) and compared with the available experimental values. The optimized lattice constants have been used to calculate the energy band gap and found to be 1.57 eV. The partial density of states and total density of states have been discussed in detail. The frequency dependent dielectric constant and refractive index have been calculated and plotted in the energy range 0-13 eV. All the above parameters have been compared with the available experimental and theoretical values and found good agreement between them.

Relationship of Sodium Intake and Blood Pressure Varies With Energy Intake: Secondary Analysis of the DASH (Dietary Approaches to Stop Hypertension)-Sodium Trial.

PubMed

Murtaugh, Maureen A; Beasley, Jeannette M; Appel, Lawrence J; Guenther, Patricia M; McFadden, Molly; Greene, Tom; Tooze, Janet A

2018-05-01

Dietary Na recommendations are expressed as absolute amounts (mg/d) rather than as Na density (mg/kcal). Our objective was to determine whether the strength of the relationship of Na intake with blood pressure (BP) varied with energy intake. The DASH (Dietary Approaches to Stop Hypertension)-Sodium trial was a randomized feeding trial comparing 2 diets (DASH and control) and 3 levels of Na density. Participants with pre- or stage 1 hypertension consumed diets for 30 days in random order; energy intake was controlled to maintain body weight. This secondary analysis of 379 non-Hispanic black and white participants used mixed-effects models to assess the association of Na and energy intakes with BP. The relationships between absolute Na and both systolic and diastolic BP varied with energy intake. BP rose more steeply with increasing Na at lower energy intake than at higher energy intake ( P interaction<0.001). On the control diet with 2300 mg Na, both systolic and diastolic BP were higher (3.0 mm Hg; 95% confidence interval, 0.2-5.8; and 2.7 mm Hg; 95% confidence interval, 1.0-4.5, respectively) among those with lower energy intake (higher Na density) than among those with higher energy intake (lower Na density). The association of Na with systolic BP was stronger at lower levels of energy intake in both blacks and whites ( P <0.001). The association of Na and diastolic BP varied with energy intake only among blacks ( P =0.001). Sodium density should be considered as a metric for expressing dietary Na recommendations. © 2018 American Heart Association, Inc.

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.

Using Phase Space Density Profiles to Investigate the Radiation Belt Seed Population

NASA Astrophysics Data System (ADS)

Boyd, A. J.; Spence, H.; Reeves, G. D.; Blake, J. B.; Fennell, J. F.; Claudepierre, S. G.; Turner, D. L.

2013-12-01

It is believed that particles with energies of 100s of keV play a critical role in the acceleration of electrons within the radiation belt. Through wave particle interactions, these so called 'seed electrons' can be accelerated up to energies greater than 1 MeV. Using data from the MagEIS (Magnetic Electron Ion Spectrometer) Instrument onboard the Van Allen Probes we calculate phase space density within the radiation belts over a wide range of mu and K values. These phase space density profiles are combined with those from THEMIS, in order to see how the phase space density evolves over a large range of L*. In this presentation we examine how the seed electron population evolves in both time and L* during acceleration events. Comparing this to the evolution of the higher mu electron population allows us to determine what role the seed electrons played in the acceleration process. Finally, we compare several of these storms to examine the importance of the seed population to the acceleration process.

Analysis of the 48Ca neutron skin using a nonlocal dispersive-optical-model self-energy

NASA Astrophysics Data System (ADS)

Atkinson, Mack; Mahzoon, Hossein; Dickhoff, Willem; Charity, Robert

2017-09-01

A nonlocal dispersive-optical-model (DOM) analysis of the 40Ca and 48Ca nuclei has been implemented. The real and imaginary potentials are constrained by fitting to elastic-scattering data, total and reaction cross sections, energy level information, particle number, and the charge densities of 40Ca and 48Ca, respectively. The nonlocality of these potentials permits a proper dispersive self-energy which accurately describes both positive and negative energy observables. 48Ca is of particular interest because it is doubly magic and has a neutron skin due to the excess of neutrons. The DOM neutron skin radius is found to be rskin = 0.245 , which is larger than most previous calculations. The neutron skin is closely related to the symmetry energy which is a crucial part of the nuclear equation of state. The combined analysis of 40Ca and 48Ca energy densities provides a description of the density dependence of the symmetry energy which is compared with the 48Ca neutron skin. Results for 208Pb will also become available in the near future. NSF.

QCD nature of dark energy at finite temperature: Cosmological implications

NASA Astrophysics Data System (ADS)

Azizi, K.; Katırcı, N.

2016-05-01

The Veneziano ghost field has been proposed as an alternative source of dark energy, whose energy density is consistent with the cosmological observations. In this model, the energy density of the QCD ghost field is expressed in terms of QCD degrees of freedom at zero temperature. We extend this model to finite temperature to search the model predictions from late time to early universe. We depict the variations of QCD parameters entering the calculations, dark energy density, equation of state, Hubble and deceleration parameters on temperature from zero to a critical temperature. We compare our results with the observations and theoretical predictions existing at different eras. It is found that this model safely defines the universe from quark condensation up to now and its predictions are not in tension with those of the standard cosmology. The EoS parameter of dark energy is dynamical and evolves from -1/3 in the presence of radiation to -1 at late time. The finite temperature ghost dark energy predictions on the Hubble parameter well fit to those of Λ CDM and observations at late time.

Method for obtaining electron energy-density functions from Langmuir-probe data using a card-programmable calculator

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

Longhurst, G.R.

This paper presents a method for obtaining electron energy density functions from Langmuir probe data taken in cool, dense plasmas where thin-sheath criteria apply and where magnetic effects are not severe. Noise is filtered out by using regression of orthogonal polynomials. The method requires only a programmable calculator (TI-59 or equivalent) to implement and can be used for the most general, nonequilibrium electron energy distribution plasmas. Data from a mercury ion source analyzed using this method are presented and compared with results for the same data using standard numerical techniques.

All Solid State Rechargeable Lithium Batteries using Block Copolymers

NASA Astrophysics Data System (ADS)

Hallinan, Daniel; Balsara, Nitash

2011-03-01

The growing need for alternative energy and increased demand for mobile technology require higher density energy storage. Existing battery technologies, such as lithium ion, are limited by theoretical energy density as well as safety issues. Other battery chemistries are promising options for dramatically increasing energy density. Safety can be improved by replacing the flammable, reactive liquids used in existing lithium-ion battery electrolytes with polymer electrolytes. Block copolymers are uniquely suited for this task because ionic conductivity and mechanical strength, both important properties in battery formulation, can be independently controlled. In this study, lithium batteries were assembled using lithium metal as negative electrode, polystyrene-b-poly(ethylene oxide) copolymer with lithium salt as electrolyte, and a positive electrode. The positive electrode consisted of polymer electrolyte for ion conduction, carbon for electron conduction, and an active material. Batteries were charged and discharged over many cycles. The battery cycling results were compared to a conventional battery chemistry.

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.

Breast density evaluation using spectral mammography, radiologist reader assessment and segmentation techniques: a retrospective study based on left and right breast comparison

PubMed Central

Molloi, Sabee; Ding, Huanjun; Feig, Stephen

2015-01-01

Purpose The purpose of this study was to compare the precision of mammographic breast density measurement using radiologist reader assessment, histogram threshold segmentation, fuzzy C-mean segmentation and spectral material decomposition. Materials and Methods Spectral mammography images from a total of 92 consecutive asymptomatic women (50–69 years old) who presented for annual screening mammography were retrospectively analyzed for this study. Breast density was estimated using 10 radiologist reader assessment, standard histogram thresholding, fuzzy C-mean algorithm and spectral material decomposition. The breast density correlation between left and right breasts was used to assess the precision of these techniques to measure breast composition relative to dual-energy material decomposition. Results In comparison to the other techniques, the results of breast density measurements using dual-energy material decomposition showed the highest correlation. The relative standard error of estimate for breast density measurements from left and right breasts using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean algorithm and dual-energy material decomposition was calculated to be 1.95, 2.87, 2.07 and 1.00, respectively. Conclusion The results indicate that the precision of dual-energy material decomposition was approximately factor of two higher than the other techniques with regard to better correlation of breast density measurements from right and left breasts. PMID:26031229

First-Principles Prediction of Densities of Amorphous Materials: The Case of Amorphous Silicon

NASA Astrophysics Data System (ADS)

Furukawa, Yoritaka; Matsushita, Yu-ichiro

2018-02-01

A novel approach to predict the atomic densities of amorphous materials is explored on the basis of Car-Parrinello molecular dynamics (CPMD) in density functional theory. Despite the determination of the atomic density of matter being crucial in understanding its physical properties, no first-principles method has ever been proposed for amorphous materials until now. We have extended the conventional method for crystalline materials in a natural manner and pointed out the importance of the canonical ensemble of the total energy in the determination of the atomic densities of amorphous materials. To take into account the canonical distribution of the total energy, we generate multiple amorphous structures with several different volumes by CPMD simulations and average the total energies at each volume. The density is then determined as the one that minimizes the averaged total energy. In this study, this approach is implemented for amorphous silicon (a-Si) to demonstrate its validity, and we have determined the density of a-Si to be 4.1% lower and its bulk modulus to be 28 GPa smaller than those of the crystal, which are in good agreement with experiments. We have also confirmed that generating samples through classical molecular dynamics simulations produces a comparable result. The findings suggest that the presented method is applicable to other amorphous systems, including those for which experimental knowledge is lacking.

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.

Level densities and γ-ray strength functions in Sn isotopes

NASA Astrophysics Data System (ADS)

Toft, H. K.; Larsen, A. C.; Agvaanluvsan, U.; Bürger, A.; Guttormsen, M.; Mitchell, G. E.; Nyhus, H. T.; Schiller, A.; Siem, S.; Syed, N. U. H.; Voinov, A.

2010-06-01

The nuclear level densities of Sn118,119 and the γ-ray strength functions of Sn116,118,119 below the neutron separation energy are extracted with the Oslo method using the (He3,αγ) and (He3,He3'γ) reactions. The level-density function of Sn119 displays steplike structures. The microcanonical entropies are deduced from the level densities, and the single neutron entropy of Sn119 is determined to be 1.7 ± 0.2 kB. Results from a combinatorial model support the interpretation that some of the low-energy steps in the level density function are caused by neutron pair breaking. An enhancement in all the γ-ray strength functions of Sn116-119, compared to standard models for radiative strength, is observed for the γ-ray energy region of ≃4-11 MeV. These small resonances all have a centroid energy of 8.0(1) MeV and an integrated strength corresponding to 1.7(9)% of the classical Thomas-Reiche-Kuhn sum rule. The Sn resonances may be due to electric dipole neutron skin oscillations or to an enhancement of the giant magnetic dipole resonance.

Hydrogen: the future energy carrier.

PubMed

Züttel, Andreas; Remhof, Arndt; Borgschulte, Andreas; Friedrichs, Oliver

2010-07-28

Since the beginning of the twenty-first century the limitations of the fossil age with regard to the continuing growth of energy demand, the peaking mining rate of oil, the growing impact of CO2 emissions on the environment and the dependency of the economy in the industrialized world on the availability of fossil fuels became very obvious. A major change in the energy economy from fossil energy carriers to renewable energy fluxes is necessary. The main challenge is to efficiently convert renewable energy into electricity and the storage of electricity or the production of a synthetic fuel. Hydrogen is produced from water by electricity through an electrolyser. The storage of hydrogen in its molecular or atomic form is a materials challenge. Some hydrides are known to exhibit a hydrogen density comparable to oil; however, these hydrides require a sophisticated storage system. The system energy density is significantly smaller than the energy density of fossil fuels. An interesting alternative to the direct storage of hydrogen are synthetic hydrocarbons produced from hydrogen and CO2 extracted from the atmosphere. They are CO2 neutral and stored like fossil fuels. Conventional combustion engines and turbines can be used in order to convert the stored energy into work and heat.

Hydraulic concentration of magnetic fields in the solar photosphere. I - Turbulent pumping

NASA Technical Reports Server (NTRS)

Parker, E. N.

1974-01-01

Observations suggest that most of the magnetic flux through the solar photosphere is concentrated in vertical filaments in the supergranule boundaries. Each filament appears to contain about 3 times 10 to the 18-th power maxwells, in the form of a field of 500 gauss or more, over a diameter of 700 km or less. The magnetic energy density in the filaments is 100 times the observed kinetic energy density of the observed supergranule motions, but comparable to the kinetic energy density of the granules. Force-free field configurations cannot duplicate the observational numbers, nor can such cooling effects as are believed responsible for the intense fields in sunspot umbrae. We point out a simple hydraulic mechanism (turbulent pumping) that appears to account for the observed concentration of fields.

Effect of conductive additives to gel electrolytes on activated carbon-based supercapacitors

NASA Astrophysics Data System (ADS)

Barzegar, Farshad; Dangbegnon, Julien K.; Bello, Abdulhakeem; Momodu, Damilola Y.; Johnson, A. T. Charlie; Manyala, Ncholu

2015-09-01

This article is focused on polymer based gel electrolyte due to the fact that polymers are cheap and can be used to achieve extended potential window for improved energy density of the supercapacitor devices when compared to aqueous electrolytes. Electrochemical characterization of a symmetric supercapacitor devices based on activated carbon in different polyvinyl alcohol (PVA) based gel electrolytes was carried out. The device exhibited a maximum energy density of 24 Wh kg-1 when carbon black was added to the gel electrolyte as conductive additive. The good energy density was correlated with the improved conductivity of the electrolyte medium which is favorable for fast ion transport in this relatively viscous environment. Most importantly, the device remained stable with no capacitance lost after 10,000 cycles.

Influence of temperature and electrolyte on the performance of activated-carbon supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Ping; Verbrugge, Mark; Soukiazian, Souren

For hybrid electric vehicle traction applications, energy storage devices with high power density and energy efficiency are required. A primary attribute of supercapacitors is that they retain their high power density and energy efficiency even at -30 °C, the lowest temperature at which unassisted starting must be provided to customers. More abuse-tolerant electrolytes are preferred to the high-conductivity acetonitrile-based systems commonly employed. Propylene carbonate based electrolytes are a promising alternative. In this work, we compare the electrochemical performance of two high-power density electrical double layer supercapacitors employing acetonitrile and propylene carbonate as solvents. From this study, we are able to elucidate phenomena that control the resistance of supercapacitor at lower temperatures, and quantify the difference in performance associated with the two electrolytes.

Optimize out-of-core thermionic energy conversion for nuclear electric propulsion

NASA Technical Reports Server (NTRS)

Morris, J. F.

1978-01-01

Thermionic energy conversion (TEC) potentialities for nuclear electric propulsion (NEP) are examined. Considering current designs, their limitations, and risks raises critical questions about the use of TEC for NEP. Apparently a reactor cooled by hotter-than-1675 K heat pipes has good potentialities. TEC with higher temperatures and greater power densities than the currently proposed 1650 K, 5-to-6 W/sq cm version offers substantial gains. Other approaches to high-temperature electric isolation appear also promising. A high-power-density, high-temperature TEC for NEP appears, therefore, attainable. It is recommended to optimize out-of-core thermionic energy conversion for nuclear electric propulsion. Although current TEC designs for NEP seem unnecessary compared with Brayton versions, large gains are apparently possible with increased temperatures and greater power densities.

Designing lead-free antiferroelectrics for energy storage

PubMed Central

Xu, Bin; Íñiguez, Jorge; Bellaiche, L.

2017-01-01

Dielectric capacitors, although presenting faster charging/discharging rates and better stability compared with supercapacitors or batteries, are limited in applications due to their low energy density. Antiferroelectric (AFE) compounds, however, show great promise due to their atypical polarization-versus-electric field curves. Here we report our first-principles-based theoretical predictions that Bi1−xRxFeO3 systems (R being a lanthanide, Nd in this work) can potentially allow high energy densities (100–150 J cm−3) and efficiencies (80–88%) for electric fields that may be within the range of feasibility upon experimental advances (2–3 MV cm−1). In addition, a simple model is derived to describe the energy density and efficiency of a general AFE material, providing a framework to assess the effect on the storage properties of variations in doping, electric field magnitude and direction, epitaxial strain, temperature and so on, which can facilitate future search of AFE materials for energy storage. PMID:28555655

All-graphene-battery: bridging the gap between supercapacitors and lithium ion batteries

NASA Astrophysics Data System (ADS)

Kim, Haegyeom; Park, Kyu-Young; Hong, Jihyun; Kang, Kisuk

2014-06-01

Herein, we propose an advanced energy-storage system: all-graphene-battery. It operates based on fast surface-reactions in both electrodes, thus delivering a remarkably high power density of 6,450 W kg-1total electrode while also retaining a high energy density of 225 Wh kg-1total electrode, which is comparable to that of conventional lithium ion battery. The performance and operating mechanism of all-graphene-battery resemble those of both supercapacitors and batteries, thereby blurring the conventional distinction between supercapacitors and batteries. This work demonstrates that the energy storage system made with carbonaceous materials in both the anode and cathode are promising alternative energy-storage devices.

All-graphene-battery: bridging the gap between supercapacitors and lithium ion batteries.

PubMed

Kim, Haegyeom; Park, Kyu-Young; Hong, Jihyun; Kang, Kisuk

2014-06-13

Herein, we propose an advanced energy-storage system: all-graphene-battery. It operates based on fast surface-reactions in both electrodes, thus delivering a remarkably high power density of 6,450 W kg(-1)(total electrode) while also retaining a high energy density of 225 Wh kg(-1)(total electrode), which is comparable to that of conventional lithium ion battery. The performance and operating mechanism of all-graphene-battery resemble those of both supercapacitors and batteries, thereby blurring the conventional distinction between supercapacitors and batteries. This work demonstrates that the energy storage system made with carbonaceous materials in both the anode and cathode are promising alternative energy-storage devices.

All-graphene-battery: bridging the gap between supercapacitors and lithium ion batteries

PubMed Central

Kim, Haegyeom; Park, Kyu-Young; Hong, Jihyun; Kang, Kisuk

2014-01-01

Herein, we propose an advanced energy-storage system: all-graphene-battery. It operates based on fast surface-reactions in both electrodes, thus delivering a remarkably high power density of 6,450 W kg−1total electrode while also retaining a high energy density of 225 Wh kg−1total electrode, which is comparable to that of conventional lithium ion battery. The performance and operating mechanism of all-graphene-battery resemble those of both supercapacitors and batteries, thereby blurring the conventional distinction between supercapacitors and batteries. This work demonstrates that the energy storage system made with carbonaceous materials in both the anode and cathode are promising alternative energy-storage devices. PMID:24923290

High tonnage harvesting and skidding for loblolly pine energy plantations

Treesearch

Patrick Jernigan; Tom Gallagher; Dana Mitchell; Mathew Smidt; Larry Teeter

2016-01-01

The southeastern United States has a promising source for renewable energy in the form of woody biomass. To meet the energy needs, energy plantations will likely be utilized. These plantations will contain a high density of small-stem pine trees. Since the stems are relatively small when compared with traditional product removal, the harvesting costs will increase. The...

Modelling relativistic effects in momentum-resolved electron energy loss spectroscopy of graphene

NASA Astrophysics Data System (ADS)

Lyon, K.; Mowbray, D. J.; Miskovic, Z. L.

2018-02-01

We present an analytical model for the electron energy loss through a two-dimensional (2D) layer of graphene, fully taking into account relativistic effects. Using two different models for graphene's 2D conductivity, one a two-fluid hydrodynamic model with an added correction to account for the inter-band electron transitions near the Dirac point in undoped graphene, the other derived from ab initio plane-wave time-dependent density functional theory in the frequency domain (PW-TDDFT-ω) calculations applied on a graphene superlattice, we derive various different expressions for the probability density of energy and momentum transfer from the incident electron to graphene. To further compare with electron energy loss spectroscopy (EELS) experiments that use setups like scanning Transmission Electron Microscopy, we integrated our energy loss functions over a range of wavenumbers, and compared how the choice of range directly affects the shape, position, and relative heights of graphene's π → π* and σ → σ* transition peaks. Comparisons were made with experimental EELS data under different model inputs, revealing again the strong effect that the choice of wavenumber range has on the energy loss.

Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: The Ti 4O 7 Magneli phase

DOE PAGES

Benali, Anouar; Shulenburger, Luke; Krogel, Jaron T.; ...

2016-06-07

The Magneli phase Ti 4O 7 is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom. At low temperatures, it has non-trivial magnetic states very close in energy, driven by electronic exchange and correlation interactions. We have examined three low- lying states, one ferromagnetic and two antiferromagnetic, and calculated their energies as well as Ti spin moment distributions using highly accurate Quantum Monte Carlo methods. We compare our results to those obtained from density functional theory- based methods that include approximate corrections for exchange and correlation.more » Our results confirm the nature of the states and their ordering in energy, as compared with density-functional theory methods. However, the energy differences and spin distributions differ. Here, a detailed analysis suggests that non-local exchange-correlation functionals, in addition to other approximations such as LDA+U to account for correlations, are needed to simultaneously obtain better estimates for spin moments, distributions, energy differences and energy gaps.« less

Structure of the plasmapause from ISEE 1 low-energy ion and plasma wave observations

NASA Technical Reports Server (NTRS)

Nagai, T.; Horwitz, J. L.; Anderson, R. R.; Chappell, C. R.

1985-01-01

Low-energy ion pitch angle distributions are compared with plasma density profiles in the near-earth magnetosphere using ISEE 1 observations. The classical plasmapause determined by the sharp density gradient is not always observed in the dayside region, whereas there almost always exists the ion pitch angle distribution transition from cold, isotropic to warm, bidirectional, field-aligned distributions. In the nightside region the plasmapause density gradient is typically found, and it normally coincides with the ion pitch angle distribution transition. The sunward motion of the plasma is found in the outer part of the 'plasmaspheric' plasma in the dusk bulge region.

Reproductive success of Horned Lark and McCown's Longspur in relation to wind energy infrastructure

USGS Publications Warehouse

Mahoney, Anika; Chalfoun, Anna D.

2016-01-01

Wind energy is a rapidly expanding industry with potential indirect effects to wildlife populations that are largely unexplored. In 2011 and 2012, we monitored 211 nests of 2 grassland songbirds, Horned Lark (Eremophila alpestris) and McCown's Longspur (Rhynchophanes mccownii), at 3 wind farms and 2 undeveloped reference sites in Wyoming, USA. We evaluated several indices of reproductive investment and success: clutch size, size-adjusted nestling mass, daily nest survival rate, and number of fledglings. We compared reproductive success between wind farms and undeveloped sites and modeled reproductive success within wind farms as a function of wind energy infrastructure and habitat. Size-adjusted nestling mass of Horned Lark was weakly negatively related to turbine density. In 2011, nest survival of Horned Lark decreased 55% as turbine density increased from 10 to 39 within 2 km of the nest. In 2012, however, nest survival of Horned Lark was best predicted by the combination of vegetation height, distance to shrub edge, and turbine density, with survival increasing weakly with increasing vegetation height. McCown's Longspur nest survival was weakly positively related to vegetation density at the nest site when considered with the amount of grassland habitat in the neighborhood and turbine density within 1 km of the nest. Habitat and distance to infrastructure did not explain clutch size or number of fledglings for either species, or size-adjusted nestling mass for McCown's Longspur. Our results suggest that the influence of wind energy infrastructure varies temporally and by species, even among species using similar habitats. Turbine density was repeatedly the most informative measure of wind energy development. Turbine density could influence wildlife responses to wind energy production and may become increasingly important to consider as development continues in areas with high-quality wind resources.

Assessment of energy density usage during 180W lithium triborate laser photoselective vaporization of the prostate for benign prostatic hyperplasia. Is there an optimum amount of kilo-Joules per gram of prostate?

PubMed

Valdivieso, Roger; Meyer, Christian P; Hueber, Pierre-Alain; Meskawi, Malek; Alenizi, Abdullah M; Azizi, Mounsif; Trinh, Quoc-Dien; Misrai, Vincent; Rutman, Matthew; Te, Alexis E; Chughtai, Bilal; Barber, Neil J; Emara, Amr M; Munver, Ravi; Zorn, Kevin C

2016-10-01

To assess the effect of energy density (kJ/mL) applied on adenoma during photoselective vaporization of the prostate (PVP) treatment for benign prostate hyperplasia (BPH) on functional outcomes, prostate-specific antigen (PSA) reduction and complications. After exclusions, a total of 440 patients who underwent GreenLight (tm) laser XPS-180W lithium triborate PVP for the treatment of BPH were retrospectively reviewed. Data were collected from seven different international centres (Canada, USA, UK and France). Patients were stratified into four energy density groups (kJ/mL) according to intra-operative energy delivered and prostate volume as determined by preoperative transrectal ultrasonography (TRUS): group 1: <3 kJ/mL; group 2: 3-5 kJ/mL; group 3: 5-7 kJ/mL; and group 4: ≥7 kJ/mL. Energy density groups were chosen arbitrarily. PSA reduction and functional outcomes (International Prostate Symptom Score, quality of life, post-void residual urine volume, maximum urinary flow rate) were compared at 6, 12 and 24 months. Peri-operative complications and retreatment rates were also compared among the groups. The PSA reduction rates at 24 months after the procedure were 51, 61, 79 and 83% for the energy density groups <3, 3-5, 5-7 and ≥7 kJ/mL, respectively (P ≤ 0.01). This held true after accounting for baseline confounders. Energy density was not associated with higher complication rates, including haematuria, stricture formation, incontinence, refractory urinary retention, urinary tract infection and conversion to transurethral resection of the prostate. Functional outcomes at 2 years of follow-up were equivalent among the groups (P > 0.05 for all) and similar retreatment rates were observed (P = 0.36). Higher energy usage per cc of prostate was associated with a more significant reduction in PSA level (>50%) at 6, 12 and 24 months, suggesting increased vaporization of adenoma tissue; however, this did not translate into differences in functional outcomes at 2-year follow-up. © 2016 The Authors BJU International © 2016 BJU International Published by John Wiley & Sons Ltd.

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.

The role of nanomaterials in redox-based supercapacitors for next generation energy storage devices.

PubMed

Zhao, Xin; Sánchez, Beatriz Mendoza; Dobson, Peter J; Grant, Patrick S

2011-03-01

The development of more efficient electrical storage is a pressing requirement to meet future societal and environmental needs. This demand for more sustainable, efficient energy storage has provoked a renewed scientific and commercial interest in advanced capacitor designs in which the suite of experimental techniques and ideas that comprise nanotechnology are playing a critical role. Capacitors can be charged and discharged quickly and are one of the primary building blocks of many types of electrical circuit, from microprocessors to large-sale power supplies, but usually have relatively low energy storage capability when compared with batteries. The application of nanostructured materials with bespoke morphologies and properties to electrochemical supercapacitors is being intensively studied in order to provide enhanced energy density without comprising their inherent high power density and excellent cyclability. In particular, electrode materials that exploit physical adsorption or redox reactions of electrolyte ions are foreseen to bridge the performance disparity between batteries with high energy density and capacitors with high power density. In this review, we present some of the novel nanomaterial systems applied for electrochemical supercapacitors and show how material morphology, chemistry and physical properties are being tailored to provide enhanced electrochemical supercapacitor performance.

Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

PubMed

Kowalczyk, Tim; Le, Khoa; Irle, Stephan

2016-01-12

We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

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.

The role of nanomaterials in redox-based supercapacitors for next generation energy storage devices

NASA Astrophysics Data System (ADS)

Zhao, Xin; Sánchez, Beatriz Mendoza; Dobson, Peter J.; Grant, Patrick S.

2011-03-01

The development of more efficient electrical storage is a pressing requirement to meet future societal and environmental needs. This demand for more sustainable, efficient energy storage has provoked a renewed scientific and commercial interest in advanced capacitor designs in which the suite of experimental techniques and ideas that comprise nanotechnology are playing a critical role. Capacitors can be charged and discharged quickly and are one of the primary building blocks of many types of electrical circuit, from microprocessors to large-sale power supplies, but usually have relatively low energy storage capability when compared with batteries. The application of nanostructured materials with bespoke morphologies and properties to electrochemical supercapacitors is being intensively studied in order to provide enhanced energy density without comprising their inherent high power density and excellent cyclability. In particular, electrode materials that exploit physical adsorption or redox reactions of electrolyte ions are foreseen to bridge the performance disparity between batteries with high energy density and capacitors with high power density. In this review, we present some of the novel nanomaterial systems applied for electrochemical supercapacitors and show how material morphology, chemistry and physical properties are being tailored to provide enhanced electrochemical supercapacitor performance.

Spectral Characteristics of VLF Sferics Associated With RHESSI TGFs

NASA Astrophysics Data System (ADS)

Mezentsev, Andrew; Lehtinen, Nikolai; Østgaard, Nikolai; Pérez-Invernón, F. J.; Cummer, Steven A.

2018-01-01

We compared the modeled energy spectral density of very low frequency (VLF) radio emissions from terrestrial gamma ray flashes (TGFs) with the energy spectral density of VLF radio sferics recorded by Duke VLF receiver simultaneously with those TGFs. In total, six events with world wide lightning location network (WWLLN) defined locations were analyzed to exhibit a good fit between the modeled and observed energy spectral densities. In VLF range the energy spectral density of the TGF source current moment is found to be dominated by the contribution of secondary low-energy electrons and independent of the relativistic electrons which play their role in low-frequency (LF) range. Additional spectral modulation by the multiplicity of TGF peaks was found and demonstrated a good fit for two TGFs whose VLF sferics consist of two overlapping pulses each. The number of seeding pulses in TGF defines the spectral shape in VLF range, which allows to retrieve this number from VLF sferics, assuming they were radiated by TGFs. For two events it was found that the number of seeding pulses is small, of the order of 10. For the rest of the events the lower boundary of the number of seeding pulses was found to be between 10 to 103.

Estimation of Metal Acceleration by an SF5 Containing Explosive

DTIC Science & Technology

1991-06-30

cylinder wall acceleration, the wall energies for the baseline composition and for the composition CW2 were calculated by three different methods : KSM, 6...computaticno! method to calculate the cylinder energies needed for comparison with expermental data, it was decided to compare data from three known methods ...detonation pressure given for the GAB method in Reference 8. They are E(6mm) = 0.1272 (Isp X density)1 .5 - 0.021, and E(l9mm) = 0.1580 (Isp x density) 1 .5

Temperature scaling in a dense vibrofluidized granular material.

PubMed

Sunthar, P; Kumaran, V

1999-08-01

The leading order "temperature" of a dense two-dimensional granular material fluidized by external vibrations is determined. The grain interactions are characterized by inelastic collisions, but the coefficient of restitution is considered to be close to 1, so that the dissipation of energy during a collision is small compared to the average energy of a particle. An asymptotic solution is obtained where the particles are considered to be elastic in the leading approximation. The velocity distribution is a Maxwell-Boltzmann distribution in the leading approximation. The density profile is determined by solving the momentum balance equation in the vertical direction, where the relation between the pressure and density is provided by the virial equation of state. The temperature is determined by relating the source of energy due to the vibrating surface and the energy dissipation due to inelastic collisions. The predictions of the present analysis show good agreement with simulation results at higher densities where theories for a dilute vibrated granular material, with the pressure-density relation provided by the ideal gas law, are in error.

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

PubMed

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

2018-05-08

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

Hadronic energy resolution of a highly granular scintillator-steel hadron calorimeter using software compensation techniques

NASA Astrophysics Data System (ADS)

Adloff, C.; Blaha, J.; Blaising, J.-J.; Drancourt, C.; Espargilière, A.; Gaglione, R.; Geffroy, N.; Karyotakis, Y.; Prast, J.; Vouters, G.; Francis, K.; Repond, J.; Smith, J.; Xia, L.; Baldolemar, E.; Li, J.; Park, S. T.; Sosebee, M.; White, A. P.; Yu, J.; Buanes, T.; Eigen, G.; Mikami, Y.; Watson, N. K.; Goto, T.; Mavromanolakis, G.; Thomson, M. A.; Ward, D. R.; Yan, W.; Benchekroun, D.; Hoummada, A.; Khoulaki, Y.; Benyamna, M.; Cârloganu, C.; Fehr, F.; Gay, P.; Manen, S.; Royer, L.; Blazey, G. C.; Dyshkant, A.; Lima, J. G. R.; Zutshi, V.; Hostachy, J.-Y.; Morin, L.; Cornett, U.; David, D.; Falley, G.; Gadow, K.; Göttlicher, P.; Günter, C.; Hermberg, B.; Karstensen, S.; Krivan, F.; Lucaci-Timoce, A.-I.; Lu, S.; Lutz, B.; Morozov, S.; Morgunov, V.; Reinecke, M.; Sefkow, F.; Smirnov, P.; Terwort, M.; Vargas-Trevino, A.; Feege, N.; Garutti, E.; Marchesini, I.; Ramilli, M.; Eckert, P.; Harion, T.; Kaplan, A.; Schultz-Coulon, H.-Ch; Shen, W.; Stamen, R.; Tadday, A.; Bilki, B.; Norbeck, E.; Onel, Y.; Wilson, G. W.; Kawagoe, K.; Dauncey, P. D.; Magnan, A.-M.; Wing, M.; Salvatore, F.; Calvo Alamillo, E.; Fouz, M.-C.; Puerta-Pelayo, J.; Balagura, V.; Bobchenko, B.; Chadeeva, M.; Danilov, M.; Epifantsev, A.; Markin, O.; Mizuk, R.; Novikov, E.; Rusinov, V.; Tarkovsky, E.; Kirikova, N.; Kozlov, V.; Smirnov, P.; Soloviev, Y.; Buzhan, P.; Dolgoshein, B.; Ilyin, A.; Kantserov, V.; Kaplin, V.; Karakash, A.; Popova, E.; Smirnov, S.; Kiesling, C.; Pfau, S.; Seidel, K.; Simon, F.; Soldner, C.; Szalay, M.; Tesar, M.; Weuste, L.; Bonis, J.; Bouquet, B.; Callier, S.; Cornebise, P.; Doublet, Ph; Dulucq, F.; Faucci Giannelli, M.; Fleury, J.; Li, H.; Martin-Chassard, G.; Richard, F.; de la Taille, Ch; Pöschl, R.; Raux, L.; Seguin-Moreau, N.; Wicek, F.; Anduze, M.; Boudry, V.; Brient, J.-C.; Jeans, D.; Mora de Freitas, P.; Musat, G.; Reinhard, M.; Ruan, M.; Videau, H.; Bulanek, B.; Zacek, J.; Cvach, J.; Gallus, P.; Havranek, M.; Janata, M.; Kvasnicka, J.; Lednicky, D.; Marcisovsky, M.; Polak, I.; Popule, J.; Tomasek, L.; Tomasek, M.; Ruzicka, P.; Sicho, P.; Smolik, J.; Vrba, V.; Zalesak, J.; Belhorma, B.; Ghazlane, H.; Takeshita, T.; Uozumi, S.; Sauer, J.; Weber, S.; Zeitnitz, C.

2012-09-01

The energy resolution of a highly granular 1 m3 analogue scintillator-steel hadronic calorimeter is studied using charged pions with energies from 10 GeV to 80 GeV at the CERN SPS. The energy resolution for single hadrons is determined to be approximately 58%/√E/GeV. This resolution is improved to approximately 45%/√E/GeV with software compensation techniques. These techniques take advantage of the event-by-event information about the substructure of hadronic showers which is provided by the imaging capabilities of the calorimeter. The energy reconstruction is improved either with corrections based on the local energy density or by applying a single correction factor to the event energy sum derived from a global measure of the shower energy density. The application of the compensation algorithms to geant4 simulations yield resolution improvements comparable to those observed for real data.

Self-consistent description of the SHFB equations for 112Sn

NASA Astrophysics Data System (ADS)

Ghafouri, M.; Sadeghi, H.; Torkiha, M.

2018-03-01

The Hartree-Fock (HF) method is an excellent approximation of the closed shell magic nuclei. Pair correlation is essential for the description of open shell nuclei and has been derived for even-even, odd-odd and even-odd nuclei. These effects are reported by Hartree-Fock with BCS (HFBCS) or Hartree-Fock-Bogolyubov (HFB). These issues have been investigated, especially in the nuclear charts, and such studies have been compared with the observed information. We compute observations such as total binding energy, charge radius, densities, separation energies, pairing gaps and potential energy surfaces for neutrons and protons, and compare them with experimental data and the result of the spherical codes. In spherical even-even neutron-rich nuclei are considered in the Skyrme-Hartree-Fock-Bogolyubov (SHFB) method with density-dependent pairing interaction. Zero-range density-dependent interactions is used in the pairing channel. We solve SHF or SHFB equations in the spatial coordinates with spherical symmetry for tin isotopes such as 112Sn. The numerical accuracy of solving equations in the coordinate space is much greater than the fundamental extensions, which yields almost precise results.

Symmetry Energy and Its Components in Finite Nuclei

NASA Astrophysics Data System (ADS)

Antonov, A. N.; Gaidarov, M. K.; Kadrev, D. N.; Sarriguren, P.; Moya de Guerra, E.

2018-05-01

We derive the volume and surface components of the nuclear symmetry energy (NSE) and their ratio within the coherent density fluctuation model. The estimations use the results of the model for the NSE in finite nuclei based on the Brueckner and Skyrme energy-density functionals for nuclear matter. The obtained values of the volume and surface contributions to the NSE and their ratio for the Ni, Sn, and Pb isotopic chains are compared with estimations of other approaches which have used available experimental data on binding energies, neutron-skin thicknesses, and excitation energies to isobaric analog states (IAS). Apart from the density dependence investigated in our previous works, we study also the temperature dependence of the symmetry energy in finite nuclei in the framework of the local density approximation combining it with the self-consistent Skyrme-HFB method using the cylindrical transformed deformed harmonic-oscillator basis. The results for the thermal evolution of the NSE in the interval T = 0–4 MeV show that its values decrease with temperature. The investigations of the T-dependence of the neutron and proton root-mean-square radii and the corresponding neutron skin thickness point out that the effect of temperature leads mainly to a substantial increase of the neutron radii and skins, especially in nuclei which are more rich of neutrons.

Density perturbation in the models reconstructed from jerk parameter

NASA Astrophysics Data System (ADS)

Sinha, Srijita; Banerjee, Narayan

2018-06-01

The present work deals with the late time evolution of the linear density contrast in the dark energy models reconstructed from the jerk parameter. It is found that the non-interacting models are favoured compared to the models where an interaction is allowed in the dark sector.

Empirical prediction intervals improve energy forecasting

PubMed Central

Kaack, Lynn H.; Apt, Jay; Morgan, M. Granger; McSharry, Patrick

2017-01-01

Hundreds of organizations and analysts use energy projections, such as those contained in the US Energy Information Administration (EIA)’s Annual Energy Outlook (AEO), for investment and policy decisions. Retrospective analyses of past AEO projections have shown that observed values can differ from the projection by several hundred percent, and thus a thorough treatment of uncertainty is essential. We evaluate the out-of-sample forecasting performance of several empirical density forecasting methods, using the continuous ranked probability score (CRPS). The analysis confirms that a Gaussian density, estimated on past forecasting errors, gives comparatively accurate uncertainty estimates over a variety of energy quantities in the AEO, in particular outperforming scenario projections provided in the AEO. We report probabilistic uncertainties for 18 core quantities of the AEO 2016 projections. Our work frames how to produce, evaluate, and rank probabilistic forecasts in this setting. We propose a log transformation of forecast errors for price projections and a modified nonparametric empirical density forecasting method. Our findings give guidance on how to evaluate and communicate uncertainty in future energy outlooks. PMID:28760997

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

Aqueous Rechargeable Alkaline CoxNi2-xS2/TiO2 Battery.

PubMed

Liu, Jilei; Wang, Jin; Ku, Zhiliang; Wang, Huanhuan; Chen, Shi; Zhang, Lili; Lin, Jianyi; Shen, Ze Xiang

2016-01-26

An electrochemical energy storage system with high energy density, stringent safety, and reliability is highly desirable for next-generation energy storage devices. Here an aqueous rechargeable alkaline CoxNi2-xS2 // TiO2 battery system is designed by integrating two reversible electrode processes associated with OH(-) insertion/extraction in the cathode part and Li ion insertion/extraction in the anode part, respectively. The prototype CoxNi2-xS2 // TiO2 battery is able to deliver high energy/power densities of 83.7 Wh/kg at 609 W/kg (based on the total mass of active materials) and good cycling stabilities (capacity retention 75.2% after 1000 charge/discharge cycles). A maximum volumetric energy density of 21 Wh/l (based on the whole packaged cell) has been achieved, which is comparable to that of a thin-film battery and better than that of typical commercial supercapacitors, benefiting from the unique battery and hierarchical electrode design. This hybrid system would enrich the existing aqueous rechargeable LIB chemistry and be a promising battery technology for large-scale energy storage.

A strategy to unveil transient sources of ultra-high-energy cosmic rays

NASA Astrophysics Data System (ADS)

Takami, Hajime

2013-06-01

Transient generation of ultra-high-energy cosmic rays (UHECRs) has been motivated from promising candidates of UHECR sources such as gamma-ray bursts, flares of active galactic nuclei, and newly born neutron stars and magnetars. Here we propose a strategy to unveil transient sources of UHECRs from UHECR experiments. We demonstrate that the rate of UHECR bursts and/or flares is related to the apparent number density of UHECR sources, which is the number density estimated on the assumption of steady sources, and the time-profile spread of the bursts produced by cosmic magnetic fields. The apparent number density strongly depends on UHECR energies under a given rate of the bursts, which becomes observational evidence of transient sources. It is saturated at the number density of host galaxies of UHECR sources. We also derive constraints on the UHECR burst rate and/or energy budget of UHECRs per source as a function of the apparent source number density by using models of cosmic magnetic fields. In order to obtain a precise constraint of the UHECR burst rate, high event statistics above ˜ 1020 eV for evaluating the apparent source number density at the highest energies and better knowledge on cosmic magnetic fields by future observations and/or simulations to better estimate the time-profile spread of UHECR bursts are required. The estimated rate allows us to constrain transient UHECR sources by being compared with the occurrence rates of known energetic transient phenomena.

Gradient corrections to the exchange-correlation free energy

DOE PAGES

Sjostrom, Travis; Daligault, Jerome

2014-10-07

We develop the first-order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite-temperature density functional calculations. Based on this, we propose and implement a simple temperature-dependent extension for functionals beyond the local density approximation. These finite-temperature functionals show improvement over zero-temperature functionals, as compared to path-integral Monte Carlo calculations for deuterium equations of state, and perform without computational cost increase compared to zero-temperature functionals and so should be used for finite-temperature calculations. Furthermore, while the present functionals are valid at all temperatures including zero, non-negligible difference with zero-temperature functionals begins at temperatures abovemore » 10 000 K.« less

Matter Under Extreme Conditions

DTIC Science & Technology

2006-03-01

decay of topological defects, or dark matter particles; however, also the acceleration of protons to high energy, and their subsequent interaction to...dominating now and why does it have a comparable contribution to the energy density as the dark matter ? I will try and introduce the observational

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.

Effects of activity and energy budget balancing algorithm on laboratory performance of a fish bioenergetics model

USGS Publications Warehouse

Madenjian, Charles P.; David, Solomon R.; Pothoven, Steven A.

2012-01-01

We evaluated the performance of the Wisconsin bioenergetics model for lake trout Salvelinus namaycush that were fed ad libitum in laboratory tanks under regimes of low activity and high activity. In addition, we compared model performance under two different model algorithms: (1) balancing the lake trout energy budget on day t based on lake trout energy density on day t and (2) balancing the lake trout energy budget on day t based on lake trout energy density on day t + 1. Results indicated that the model significantly underestimated consumption for both inactive and active lake trout when algorithm 1 was used and that the degree of underestimation was similar for the two activity levels. In contrast, model performance substantially improved when using algorithm 2, as no detectable bias was found in model predictions of consumption for inactive fish and only a slight degree of overestimation was detected for active fish. The energy budget was accurately balanced by using algorithm 2 but not by using algorithm 1. Based on the results of this study, we recommend the use of algorithm 2 to estimate food consumption by fish in the field. Our study results highlight the importance of accurately accounting for changes in fish energy density when balancing the energy budget; furthermore, these results have implications for the science of evaluating fish bioenergetics model performance and for more accurate estimation of food consumption by fish in the field when fish energy density undergoes relatively rapid changes.

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.

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

Measurement of hard tissue density based on image density of intraoral radiograph

NASA Astrophysics Data System (ADS)

Katsumata, Akitoshi; Fukui, Tatsumasa; Shimoda, Shinji; Kobayashi, Kaoru; Hayashi, Tatsuro

2018-02-01

We developed a DentalSCOPE computer program to measure the bone mineral density (BMD) of the alveolar bone. Mineral density measurement of alveolar bone may be useful to predict possible patients who will occur medication-related osteonecrosis of the jaw (MRONJ). Because these osteoporosis medicines affect the mineral density of alveolar bone significantly. The BMD of alveolar bone was compared between dual-energy X-ray absorptiometry (DEXA) and the DentalSCOPE program. A high correlation coefficient was revealed between the DentalSCOPE measurement and the DEXA measurement.

Energy Deficit Required for Rapid Weight Loss in Elite Collegiate Wrestlers.

PubMed

Kondo, Emi; Sagayama, Hiroyuki; Yamada, Yosuke; Shiose, Keisuke; Osawa, Takuya; Motonaga, Keiko; Ouchi, Shiori; Kamei, Akiko; Nakajima, Kohei; Higaki, Yasuki; Tanaka, Hiroaki; Takahashi, Hideyuki; Okamura, Koji

2018-04-26

To determine energy density for rapid weight loss (RWL) of weight-classified sports, eight male elite wrestlers were instructed to lose 6% of body mass (BM) within 53 h. Energy deficit during the RWL was calculated by subtracting total energy expenditure (TEE) determined using the doubly labeled water method (DLW) from energy intake (EI) assessed with diet records. It was also estimated from body composition change estimated with the four-component model (4C) and other conventional methods. BM decreased significantly by 4.7 ± 0.5 kg (6.4 ± 0.5%). Total body water loss was the major component of the BM loss (71.0 ± 7.6%). TEE was 9446 ± 1422 kcal, and EI was 2366 ± 1184 kcal during the RWL of 53-h; therefore, the energy deficit was 7080 ± 1525 kcal. Thus, energy density was 1507 ± 279 kcal/kg ∆BM during the RWL, comparable with values obtained using the 4C, three-component model, dual energy X-ray absorptiometry, and stable isotope dilution. Energy density for RWL of wrestlers is lower than that commonly used (7400 or 7700 kcal/kg ΔBM). Although RWL is not recommended, we propose that commonly practiced extreme energy restriction such as 7400 or 7700 kcal/kg ΔBM during RWL appears to be meaningless.

Radiation-Thermal Sintering of Zirconia Powder Compacts Under Conditions of Bilateral Heating Using Beams of Low-Energy Electrons

NASA Astrophysics Data System (ADS)

Ghyngazov, S. A.; Frangulyan, T. S.; Chernyavskii, A. V.; Goreev, A. K.; Naiden, E. P.

2015-06-01

Comparative experiments on sintering zirconia ceramics are performed using colliding beams of low-energy electrons and under conditions of thermal heating. The density and microhardness of ceramic materials manufactured via different processes are determined. The use of a regime of bilateral heating by high-intensity,low-energy electron beams is shown to intensify the sintering process and yield material specimens with improved characteristics compared to those formed by thermal sintering.

Low cost estimation of the contribution of post-CCSD excitations to the total atomization energy using density functional theory calculations

NASA Astrophysics Data System (ADS)

Sánchez, H. R.; Pis Diez, R.

2016-04-01

Based on the Aλ diagnostic for multireference effects recently proposed [U.R. Fogueri, S. Kozuch, A. Karton, J.M. Martin, Theor. Chem. Acc. 132 (2013) 1], a simple method for improving total atomization energies and reaction energies calculated at the CCSD level of theory is proposed. The method requires a CCSD calculation and two additional density functional theory calculations for the molecule. Two sets containing 139 and 51 molecules are used as training and validation sets, respectively, for total atomization energies. An appreciable decrease in the mean absolute error from 7-10 kcal mol-1 for CCSD to about 2 kcal mol-1 for the present method is observed. The present method provides atomization energies and reaction energies that compare favorably with relatively recent scaled CCSD methods.

Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation

NASA Astrophysics Data System (ADS)

Garrido Torres, José A.; Ramberger, Benjamin; Früchtl, Herbert A.; Schaub, Renald; Kresse, Georg

2017-11-01

The adsorption energy of benzene on various metal substrates is predicted using the random phase approximation (RPA) for the correlation energy. Agreement with available experimental data is systematically better than 10% for both coinage and reactive metals. The results are also compared with more approximate methods, including van der Waals density functional theory (DFT), as well as dispersion-corrected DFT functionals. Although dispersion-corrected DFT can yield accurate results, for instance, on coinage metals, the adsorption energies are clearly overestimated on more reactive transition metals. Furthermore, coverage dependent adsorption energies are well described by the RPA. This shows that for the description of aromatic molecules on metal surfaces further improvements in density functionals are necessary, or more involved many-body methods such as the RPA are required.

Equilibrium nuclear ensembles taking into account vaporization of hot nuclei in dense stellar matter

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Mishustin, Igor

2018-02-01

We investigate the high-temperature effect on the nuclear matter that consists of mixture of nucleons and all nuclei in the dense and hot stellar environment. The individual nuclei are described within the compressible-liquid-drop model that is based on Skyrme interactions for bulk energies and that takes into account modifications of the surface and Coulomb energies at finite temperatures and densities. The free-energy density is minimized with respect to the individual equilibrium densities of all heavy nuclei and the nuclear composition. We find that their optimized equilibrium densities become smaller and smaller at high temperatures because of the increase in thermal contributions to bulk free energies and the reduction of surface energies. The neutron-rich nuclei become unstable and disappear one after another at given temperatures. The calculations are performed for two sets of model parameters leading to different values of the slope parameter in the nuclear-symmetry energy. It is found that the larger slope parameter reduces the equilibrium densities and the melting temperatures. We also compare the proposed model with some other approaches and find that the mass fractions of heavy nuclei in the previous calculations that omit vaporization are underestimated at T ≲10 MeV and overestimated at T ≳10 MeV. The further sophistication of calculations of nuclear vaporization and of light clusters would be required to construct the equation of state for explosive astrophysical phenomena.

Trial densities for the extended Thomas-Fermi model

NASA Astrophysics Data System (ADS)

Yu, An; Jimin, Hu

1996-02-01

A new and simplified form of nuclear densities is proposed for the extended Thomas-Fermi method (ETF) and applied to calculate the ground-state properties of several spherical nuclei, with results comparable or even better than other conventional density profiles. With the expectation value method (EVM) for microscopic corrections we checked our new densities for spherical nuclei. The binding energies of ground states almost reproduce the Hartree-Fock (HF) calculations exactly. Further applications to nuclei far away from the β-stability line are discussed.

Energy density, nutrient adequacy, and cost per serving can provide insight into food choices in the lower Mississippi delta.

USDA-ARS?s Scientific Manuscript database

Compare differences across food groups for food cost, energy and nutrient profiles of 100 items from a cross-sectional survey of 225 stores in a representative sample of 18 counties across the [Blinded for Review]. Energy, nutrient, and cost profiles for food items were calculated using Naturally Nu...

Surface energy and radiation balance systems - General description and improvements

NASA Technical Reports Server (NTRS)

Fritschen, Leo J.; Simpson, James R.

1989-01-01

Surface evaluation of sensible and latent heat flux densities and the components of the radiation balance were desired for various vegetative surfaces during the ASCOT84 experiment to compare with modeled results and to relate these values to drainage winds. Five battery operated data systems equipped with sensors to determine the above values were operated for 105 station days during the ASCOT84 experiment. The Bowen ratio energy balance technique was used to partition the available energy into the sensible and latent heat flux densities. A description of the sensors and battery operated equipment used to collect and process the data is presented. In addition, improvements and modifications made since the 1984 experiment are given. Details of calculations of soil heat flow at the surface and an alternate method to calculate sensible and latent heat flux densities are provided.

Analytic study of the effect of dark energy-dark matter interaction on the growth of structures

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

Marcondes, Rafael J.F.; Landim, Ricardo C.G.; Costa, André A.

2016-12-01

Large-scale structure has been shown as a promising cosmic probe for distinguishing and constraining dark energy models. Using the growth index parametrization, we obtain an analytic formula for the growth rate of structures in a coupled dark energy model in which the exchange of energy-momentum is proportional to the dark energy density. We find that the evolution of f σ{sub 8} can be determined analytically once we know the coupling, the dark energy equation of state, the present value of the dark energy density parameter and the current mean amplitude of dark matter fluctuations. After correcting the growth function formore » the correspondence with the velocity field through the continuity equation in the interacting model, we use our analytic result to compare the model's predictions with large-scale structure observations.« less

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

Mallow, Anne M; Abdelaziz, Omar; Graham, Samuel

The thermal charging performance of phase change materials, specifically paraffin wax, combined with compressed expanded natural graphite foam is studied under constant heat flux and constant temperature conditions. By varying the heat flux between 0.39 W/cm2 and 1.55 W/cm2 or maintaining a boundary temperature of 60 C for four graphite foam bulk densities, the impact on the rate of thermal energy storage is discussed. Thermal charging experiments indicate that thermal conductivity of the composite is an insufficient metric to compare the influence of graphite foam on the rate of thermal energy storage of the PCM composite. By dividing the latentmore » heat of the composite by the time to melt for various boundary conditions and graphite foam bulk densities, it is determined that bulk density selection is dependent on the applied boundary condition. A greater bulk density is advantageous for samples exposed to a constant temperature near the melting temperature as compared to constant heat flux conditions where a lower bulk density is adequate. Furthermore, the anisotropic nature of graphite foam bulk densities greater than 50 kg/m3 is shown to have an insignificant impact on the rate of thermal charging. These experimental results are used to validate a computational model for future use in the design of thermal batteries for waste heat recovery.« less

Stretched hydrogen molecule from a constrained-search density-functional perspective

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

Valone, Steven M; Levy, Mel

2009-01-01

Constrained-search density functional theory gives valuable insights into the fundamentals of density functional theory. It provides exact results and bounds on the ground- and excited-state density functionals. An important advantage of the theory is that it gives guidance in the construction of functionals. Here they engage constrained search theory to explore issues associated with the functional behavior of 'stretched bonds' in molecular hydrogen. A constrained search is performed with familiar valence bond wavefunctions ordinarily used to describe molecular hydrogen. The effective, one-electron hamiltonian is computed and compared to the corresponding uncorrelated, Hartree-Fock effective hamiltonian. Analysis of the functional suggests themore » need to construct different functionals for the same density and to allow a competition among these functions. As a result the correlation energy functional is composed explicitly of energy gaps from the different functionals.« less

A comparative study of all-vanadium and iron-chromium redox flow batteries for large-scale energy storage

NASA Astrophysics Data System (ADS)

Zeng, Y. K.; Zhao, T. S.; An, L.; Zhou, X. L.; Wei, L.

2015-12-01

The promise of redox flow batteries (RFBs) utilizing soluble redox couples, such as all vanadium ions as well as iron and chromium ions, is becoming increasingly recognized for large-scale energy storage of renewables such as wind and solar, owing to their unique advantages including scalability, intrinsic safety, and long cycle life. An ongoing question associated with these two RFBs is determining whether the vanadium redox flow battery (VRFB) or iron-chromium redox flow battery (ICRFB) is more suitable and competitive for large-scale energy storage. To address this concern, a comparative study has been conducted for the two types of battery based on their charge-discharge performance, cycle performance, and capital cost. It is found that: i) the two batteries have similar energy efficiencies at high current densities; ii) the ICRFB exhibits a higher capacity decay rate than does the VRFB; and iii) the ICRFB is much less expensive in capital costs when operated at high power densities or at large capacities.

On the path to fusion energy

NASA Astrophysics Data System (ADS)

Tabak, M.

2016-10-01

There is a need to develop alternate energy sources in the coming century because fossil fuels will become depleted and their use may lead to global climate change. Inertial fusion can become such an energy source, but significant progress must be made before its promise is realized. The high-density approach to inertial fusion suggested by Nuckolls et al. leads reaction chambers compatible with civilian power production. Methods to achieve the good control of hydrodynamic stability and implosion symmetry required to achieve these high fuel densities will be discussed. Fast Ignition, a technique that achieves fusion ignition by igniting fusion fuel after it is assembled, will be described along with its gain curves. Fusion costs of energy for conventional hotspot ignition will be compared with those of Fast Ignition and their capital costs compared with advanced fission plants. Finally, techniques that may improve possible Fast Ignition gains by an order of magnitude and reduce driver scales by an order of magnitude below conventional ignition requirements are described.

Relativistically induced transparency acceleration of light ions by an ultrashort laser pulse interacting with a heavy-ion-plasma density gradient

NASA Astrophysics Data System (ADS)

Sahai, Aakash A.; Tsung, Frank S.; Tableman, Adam R.; Mori, Warren B.; Katsouleas, Thomas C.

2013-10-01

The relativistically induced transparency acceleration (RITA) scheme of proton and ion acceleration using laser-plasma interactions is introduced, modeled, and compared to the existing schemes. Protons are accelerated with femtosecond relativistic pulses to produce quasimonoenergetic bunches with controllable peak energy. The RITA scheme works by a relativistic laser inducing transparency [Akhiezer and Polovin, Zh. Eksp. Teor. Fiz 30, 915 (1956); Kaw and Dawson, Phys. FluidsPFLDAS0031-917110.1063/1.1692942 13, 472 (1970); Max and Perkins, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.27.1342 27, 1342 (1971)] to densities higher than the cold-electron critical density, while the background heavy ions are stationary. The rising laser pulse creates a traveling acceleration structure at the relativistic critical density by ponderomotively [Lindl and Kaw, Phys. FluidsPFLDAS0031-917110.1063/1.1693437 14, 371 (1971); Silva , Phys. Rev. E1063-651X10.1103/PhysRevE.59.2273 59, 2273 (1999)] driving a local electron density inflation, creating an electron snowplow and a co-propagating electrostatic potential. The snowplow advances with a velocity determined by the rate of the rise of the laser's intensity envelope and the heavy-ion-plasma density gradient scale length. The rising laser is incrementally rendered transparent to higher densities such that the relativistic-electron plasma frequency is resonant with the laser frequency. In the snowplow frame, trace density protons reflect off the electrostatic potential and get snowplowed, while the heavier background ions are relatively unperturbed. Quasimonoenergetic bunches of velocity equal to twice the snowplow velocity can be obtained and tuned by controlling the snowplow velocity using laser-plasma parameters. An analytical model for the proton energy as a function of laser intensity, rise time, and plasma density gradient is developed and compared to 1D and 2D PIC OSIRIS [Fonseca , Lect. Note Comput. Sci.9783-540410.1007/3-540-47789-6_36 2331, 342 (2002)] simulations. We model the acceleration of protons to GeV energies with tens-of-femtoseconds laser pulses of a few petawatts. The scaling of proton energy with laser power compares favorably to other mechanisms for ultrashort pulses [Schreiber , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.97.045005 97, 045005 (2006); Esirkepov , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.92.175003 92, 175003 (2004); Silva , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.92.015002 92, 015002 (2004); Fiuza , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.109.215001 109, 215001 (2012)].

Nutrient Density and the Cost of Vegetables from Elementary School Lunches.

PubMed

Ishdorj, Ariun; Capps, Oral; Murano, Peter S

2016-01-01

Vegetables are the major source of the dietary fiber, magnesium, potassium, and vitamins A and C that are crucial in the diets of children. This study assessed the nutrient content of vegetables offered through the National School Lunch Program and examined the relation between the overall nutrient density of vegetable subgroups and the costs of nutrients offered and wasted before and after the changes in school meal standards. Using data collected from 3 elementary schools before and after the changes in school meal standards, we found that vegetable plate waste increased from 52% to 58%. Plate waste for starchy vegetables, exclusive of potatoes, was relatively high compared with other subgroups; however, plate waste for white potatoes was the lowest among any type of vegetable. Energy density; cost per 100 g, per serving, and per 100 kcal; and percentage daily value were calculated and used to estimate nutrient density value and nutrient density per dollar. Cost per 100 kcal was highest for red/orange vegetables followed by dark green vegetables; however, nutrient density for red/orange vegetables was the highest in the group and provided the most nutrients per dollar compared with other subgroups. Given that many vegetables are less energy dense, measuring vegetable costs per 100 g and per serving by accounting for nutrient density perhaps is a better way of calculating the cost of vegetables in school meals. © 2016 American Society for Nutrition.

Nutrient Density and the Cost of Vegetables from Elementary School Lunches123

PubMed Central

Ishdorj, Ariun; Capps, Oral; Murano, Peter S

2016-01-01

Vegetables are the major source of the dietary fiber, magnesium, potassium, and vitamins A and C that are crucial in the diets of children. This study assessed the nutrient content of vegetables offered through the National School Lunch Program and examined the relation between the overall nutrient density of vegetable subgroups and the costs of nutrients offered and wasted before and after the changes in school meal standards. Using data collected from 3 elementary schools before and after the changes in school meal standards, we found that vegetable plate waste increased from 52% to 58%. Plate waste for starchy vegetables, exclusive of potatoes, was relatively high compared with other subgroups; however, plate waste for white potatoes was the lowest among any type of vegetable. Energy density; cost per 100 g, per serving, and per 100 kcal; and percentage daily value were calculated and used to estimate nutrient density value and nutrient density per dollar. Cost per 100 kcal was highest for red/orange vegetables followed by dark green vegetables; however, nutrient density for red/orange vegetables was the highest in the group and provided the most nutrients per dollar compared with other subgroups. Given that many vegetables are less energy dense, measuring vegetable costs per 100 g and per serving by accounting for nutrient density perhaps is a better way of calculating the cost of vegetables in school meals. PMID:26773034

A well-scaling natural orbital theory

DOE PAGES

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-11-01

Here, we introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals ofmore » the oneparticle density matrix.« less

Chapman Enskog-maximum entropy method on time-dependent neutron transport equation

NASA Astrophysics Data System (ADS)

Abdou, M. A.

2006-09-01

The time-dependent neutron transport equation in semi and infinite medium with linear anisotropic and Rayleigh scattering is proposed. The problem is solved by means of the flux-limited, Chapman Enskog-maximum entropy for obtaining the solution of the time-dependent neutron transport. The solution gives the neutron distribution density function which is used to compute numerically the radiant energy density E(x,t), net flux F(x,t) and reflectivity Rf. The behaviour of the approximate flux-limited maximum entropy neutron density function are compared with those found by other theories. Numerical calculations for the radiant energy, net flux and reflectivity of the proposed medium are calculated at different time and space.

A well-scaling natural orbital theory

PubMed Central

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-01-01

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals of the one-particle density matrix. PMID:27803328

Dual energy approach for cone beam artifacts correction

NASA Astrophysics Data System (ADS)

Han, Chulhee; Choi, Shinkook; Lee, Changwoo; Baek, Jongduk

2017-03-01

Cone beam computed tomography systems generate 3D volumetric images, which provide further morphological information compared to radiography and tomosynthesis systems. However, reconstructed images by FDK algorithm contain cone beam artifacts when a cone angle is large. To reduce the cone beam artifacts, two-pass algorithm has been proposed. The two-pass algorithm considers the cone beam artifacts are mainly caused by high density materials, and proposes an effective method to estimate error images (i.e., cone beam artifacts images) by the high density materials. While this approach is simple and effective with a small cone angle (i.e., 5 - 7 degree), the correction performance is degraded as the cone angle increases. In this work, we propose a new method to reduce the cone beam artifacts using a dual energy technique. The basic idea of the proposed method is to estimate the error images generated by the high density materials more reliably. To do this, projection data of the high density materials are extracted from dual energy CT projection data using a material decomposition technique, and then reconstructed by iterative reconstruction using total-variation regularization. The reconstructed high density materials are used to estimate the error images from the original FDK images. The performance of the proposed method is compared with the two-pass algorithm using root mean square errors. The results show that the proposed method reduces the cone beam artifacts more effectively, especially with a large cone angle.

Electron Density Distribution Changes of Magnesiowüstite With Pressure

NASA Astrophysics Data System (ADS)

Diamond, M. R.; Popov, D.; Shen, G.; Jeanloz, R.

2017-12-01

Magnesiowüstite is one of the dominant minerals in the earth's lower mantle; its density and elasticity, substantially altered by its spin crossover, have direct consequence to interpreting deep-earth geophysical data. High-resolution single-crystal x-ray diffraction data can portray the 3-dimensional distribution of electron density through the Fourier transform of measured form factors. Here we present experimentally measured changes in electron density distribution of single-crystal (Mg.85,Fe.15)O as it goes through its iron(II) high-spin to low-spin electronic transition between about 40 and 60 GPa [Lin and Tsuchiya, 2008], in a diamond-anvil cell. As (Mg,Fe)O undergoes a pressure induced spin crossover (from high spin at low pressure to low spin at high pressure) due to overlap of its eg orbitals, the t2g orbitals become more pronounced to due a higher population of electrons, while the eg orbitals diminish. The spin splitting energy becomes increasingly unfavorable compared to the spin orbital pairing energy. By looking at the population of electrons at different directions in real space, we directly observe these changes in orbital occupation leading up to and during the spin crossover. Since high-Mg magnesiowüstite has a high symmetry structure at these pressure conditions, detecting relative changes in electron density distribution (comparing subsequent pressure steps) is feasible by collecting high resolution data offered by high-energy X rays and wide opening-angle diamond-anvil cells.

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 potential at 1mA/cm 2. A brief study on non-polar co-solvents for EDLC was studied. Among the solvents studied, fluorinated solvents had low melting point and viscosity due to incorporation of asymmetry. However, because of low dielectric constant, TEABF4 is insoluble and had to be mixed with other solvents. The mixed fluorinated solvents had slightly higher voltage window due to decreased donicity of lone pairs of electrons. The second approach to increasing energy density is to increase capacitance. Capacitance is mainly dependent on surface area and porosity of electrodes. Nanostructured materials which can offer multiple charge storage are currently of interest. Hence, novel NiSi nanotubes were studied as electrodes for supercapacitor applications. Silicon material has high capacity and these inert electrodes can enable higher capacitance by controlling the porosity and functional groups in specific electrolytes. The Silicon wafers were made porous by anodization using hydrofluoric acid. In order to improve the conductivity, the porous silicon was doped, then plated with Ni using electroless plating method and annealed to form nickel mono silicide. Gold was deposited on the back side of the electrode to enhance conductivity. Our porous NiSi electrodes gave capacitance of about 1185muF /cm2 in 0.5 M H 2SO4. Further investigation of oxide formation and modification of functional groups will help achieve higher capacitance.

EXPLORING PROOF OF CONCEPT IN OCEAN CURRENT ENERGY EXTRACTION

EPA Science Inventory

The small-scale OCEE is expected to yield a power density similar to that of an average wind turbine of comparable size. The project will result in specifications for materials, turbine geometries and turbine location/orientation that will extract the most energy from ocean curre...

Dietary change, energy balance and body weight regulation among migrating students.

PubMed

Reeves, S L; Henry, C J

2000-11-01

This study was conducted to examine how subjects modulate their food intake and energy balance when they migrate from a low energy density food intake pattern to one of high energy density. It was hypothesised that an increase in the energy density of food consumed would result in increased body weight of the migrating subjects unless food intake and energy balance could be modulated. Food selection, food intake, basal metabolic rate (BMR) and anthropometric measurements were made on 53 female and 56 male newly arrived overseas students. All subjects were from Malaysia, but the data was collected at Oxford Brookes University where the subjects were studying. Food intake using 3-day food diaries and food frequency questionnaires (FFQs). BMR and anthropometric measurements including body weight were measured on arrival in the UK and after 3 and 6 months' stay. Student's t-tests and analysis of variance (ANOVA) were used to compare the data. A significant difference (P < 0.05) was found between the energy density of the foods consumed in Malaysia and after 3 and 6 months in the UK. There was also a significant decrease (P < 0.05) in protein consumed. However, there were no differences in total energy intake. From results of the FFQs, differences were found in food selection due mainly to the lack of availability of certain foods in UK supermarkets. No significant differences were found in the BMR and anthropometric measurements made at the start of the study and later assessments. It appears that Malaysian students are able to remain in energy balance and are weight stable at least during the first 6 months of residence in the UK, despite the wider choice of energy dense food available. This suggests that at least in the short term, subjects are able to modulate their food intake in response to changes in the energy densities and free choice of food.

Improved Performance of Ionic Liquid Supercapacitors by using Tetracyanoborate Anions.

PubMed

Martins, Vitor L; Rennie, Anthony J R; Sanchez-Ramirez, Nedher; Torresi, Roberto M; Hall, Peter J

2018-02-01

Supercapacitors are energy storage devices designed to operate at higher power densities than conventional batteries, but their energy density is still too low for many applications. Efforts are made to design new electrolytes with wider electrochemical windows than aqueous or conventional organic electrolytes in order to increase energy density. Ionic liquids (ILs) with wide electrochemical stability windows are excellent candidates to be employed as supercapacitor electrolytes. ILs containing tetracyanoborate anions [B(CN) 4 ] offer wider electrochemical stability than conventional electrolytes and maintain a high ionic conductivity (6.9 mS cm -1 ). Herein, we report the use of ILs containing the [B(CN) 4 ] anion for such an application. They presented a high maximum operating voltage of 3.7 V, and two-electrode devices demonstrate high specific capacitances even when operating at relatively high rates (ca. 20 F g -1 @ 15 A g -1 ). This supercapacitor stored more energy and operated at a higher power at all rates studied when compared with cells using a commonly studied ILs.

Relative distribution of cosmic rays and magnetic fields

NASA Astrophysics Data System (ADS)

Seta, Amit; Shukurov, Anvar; Wood, Toby S.; Bushby, Paul J.; Snodin, Andrew P.

2018-02-01

Synchrotron radiation from cosmic rays is a key observational probe of the galactic magnetic field. Interpreting synchrotron emission data requires knowledge of the cosmic ray number density, which is often assumed to be in energy equipartition (or otherwise tightly correlated) with the magnetic field energy. However, there is no compelling observational or theoretical reason to expect such a tight correlation to hold across all scales. We use test particle simulations, tracing the propagation of charged particles (protons) through a random magnetic field, to study the cosmic ray distribution at scales comparable to the correlation scale of the turbulent flow in the interstellar medium (≃100 pc in spiral galaxies). In these simulations, we find that there is no spatial correlation between the cosmic ray number density and the magnetic field energy density. In fact, their distributions are approximately statistically independent. We find that low-energy cosmic rays can become trapped between magnetic mirrors, whose location depends more on the structure of the field lines than on the field strength.

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.

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

On strain and stress in living cells

NASA Astrophysics Data System (ADS)

Cox, Brian N.; Smith, David W.

2014-11-01

Recent theoretical simulations of amelogenesis and network formation and new, simple analyses of the basic multicellular unit (BMU) allow estimation of the order of magnitude of the strain energy density in populations of living cells in their natural environment. A similar simple calculation translates recent measurements of the force-displacement relation for contacting cells (cell-cell adhesion energy) into equivalent volume energy densities, which are formed by averaging the changes in contact energy caused by a cell's migration over the cell's volume. The rates of change of these mechanical energy densities (energy density rates) are then compared to the order of magnitude of the metabolic activity of a cell, expressed as a rate of production of metabolic energy per unit volume. The mechanical energy density rates are 4-5 orders of magnitude smaller than the metabolic energy density rate in amelogenesis or bone remodeling in the BMU, which involve modest cell migration velocities, and 2-3 orders of magnitude smaller for innervation of the gut or angiogenesis, where migration rates are among the highest for all cell types. For representative cell-cell adhesion gradients, the mechanical energy density rate is 6 orders of magnitude smaller than the metabolic energy density rate. The results call into question the validity of using simple constitutive laws to represent living cells. They also imply that cells need not migrate as inanimate objects of gradients in an energy field, but are better regarded as self-powered automata that may elect to be guided by such gradients or move otherwise. Thus Ġel=d/dt 1/2 >[(C11+C12)ɛ02+2μγ02]=(C11+C12)ɛ0ɛ˙0+2μγ0γ˙0 or Ġel=ηEɛ0ɛ˙0+η‧Eγ0γ˙0 with 1.4≤η≤3.4 and 0.7≤η‧≤0.8 for Poisson's ratio in the range 0.2≤ν≤0.4 and η=1.95 and η‧=0.75 for ν=0.3. The spatial distribution of shear strains arising within an individual cell as cells slide past one another during amelogenesis is not known in detail. However, estimates can be inferred from the known relative velocities of the cells' centers of mass. When averaged over a volume comparable to the cell size, representative values of the strain are, to order of magnitude, ɛ0≈0.1 and γ0≈0.1. The shape distortions of cells seen, for example, in Fig. 1c, imply peak strains in minor segments of a cell of magnitude unity, ɛ0≈1 and γ0≈1; these values represent the upper bound of plausible values and are included for discussion of the extremes of attainable strain energy rates.Given the strain magnitudes, the strain rates follow from the fact that a cell switches from one contacting neighbor in the adjacent row to the next in approximately 0.25 d, during which motion the strains might vary from zero to their maximum values and back again. Thus the most probable shear strain rate is inferred to be γ˙0=10-6 s-1 and the most probable tensile strain rate is inferred to be ɛ˙0≈10-6 s-1, with high bounds γ˙0=10-5 s-1 and ɛ˙0=10-5 s-1.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Spectral Characteristics of VLF Sferics Associated With RHESSI TGFs.

PubMed

Mezentsev, Andrew; Lehtinen, Nikolai; Østgaard, Nikolai; Pérez-Invernón, F J; Cummer, Steven A

2018-01-16

We compared the modeled energy spectral density of very low frequency (VLF) radio emissions from terrestrial gamma ray flashes (TGFs) with the energy spectral density of VLF radio sferics recorded by Duke VLF receiver simultaneously with those TGFs. In total, six events with world wide lightning location network (WWLLN) defined locations were analyzed to exhibit a good fit between the modeled and observed energy spectral densities. In VLF range the energy spectral density of the TGF source current moment is found to be dominated by the contribution of secondary low-energy electrons and independent of the relativistic electrons which play their role in low-frequency (LF) range. Additional spectral modulation by the multiplicity of TGF peaks was found and demonstrated a good fit for two TGFs whose VLF sferics consist of two overlapping pulses each. The number of seeding pulses in TGF defines the spectral shape in VLF range, which allows to retrieve this number from VLF sferics, assuming they were radiated by TGFs. For two events it was found that the number of seeding pulses is small, of the order of 10. For the rest of the events the lower boundary of the number of seeding pulses was found to be between 10 to 10 3 .

Theoretical investigations on the structures and properties of CL-20/TNT cocrystal and its defective models by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao

2018-06-09

"Perfect" and defective models of CL-20/TNT cocrystal explosive were established. Molecular dynamics methods were introduced to determine the structures and predict the comprehensive performances, including stabilities, sensitivity, energy density and mechanical properties, of the different models. The influences of crystal defects on the properties of these explosives were investigated and evaluated. The results show that, compared with the "perfect" model, the rigidity and toughness of defective models are decreased, while the ductility, tenacity and plastic properties are enhanced. The binding energies, interaction energy of the trigger bond, and the cohesive energy density of defective crystals declined, thus implying that stabilities are weakened, the explosive molecule is activated, trigger bond strength is diminished and safety is worsened. Detonation performance showed that, owing to the influence of crystal defects, the density is lessened, detonation pressure and detonation velocity are also declined, i.e., the power of defective explosive is decreased. In a word, the crystal defects may have a favorable effect on the mechanical properties, but have a disadvantageous influence on sensitivity, stability and energy density of CL-20/TNT cocrystal explosive. The results could provide theoretical guidance and practical instructions to estimate the properties of defective crystal models.

Effects of retarded electrical fields on observables sensitive to the high-density behavior of the nuclear symmetry energy in heavy-ion collisions at intermediate energies

NASA Astrophysics Data System (ADS)

Wei, Gao-Feng; Li, Bao-An; Yong, Gao-Chan; Ou, Li; Cao, Xin-Wei; Liu, Xu-Yang

2018-03-01

Within the isospin- and momentum-dependent transport model IBUU11, we examine the relativistic retardation effects of electrical fields on the π-/π+ ratio and neutron-proton differential transverse flow in heavy-ion collisions at intermediate energies. Compared to the static Coulomb fields, the retarded electric fields of fast-moving charges are known to be anisotropic and the associated relativistic corrections can be significant. They are found to increase the number of energetic protons in the participant region at the maximum compression by as much as 25% but that of energetic neutrons by less than 10% in 197Au+197Au reactions at a beam energy of 400 MeV/nucleon. Consequently, more π+ and relatively fewer π- mesons are produced, leading to an appreciable reduction of the π-/π+ ratio compared to calculations with the static Coulomb fields. Also, the neutron-proton differential transverse flow, as another sensitive probe of high-density symmetry energy, is also decreased appreciably due to the stronger retarded electrical fields in directions perpendicular to the velocities of fast-moving charges compared to calculations using the isotropic static electrical fields. Moreover, the retardation effects on these observables are found to be approximately independent of the reaction impact parameter.

Lake whitefish diet, condition, and energy density in Lake Champlain and the lower four Great Lakes following dreissenid invasions

USGS Publications Warehouse

Herbst, Seth J.; Marsden, J. Ellen; Lantry, Brian F.

2013-01-01

Lake Whitefish Coregonus clupeaformis support some of the most valuable commercial freshwater fisheries in North America. Recent growth and condition decreases in Lake Whitefish populations in the Great Lakes have been attributed to the invasion of the dreissenid mussels, zebra mussels Dreissena polymorpha and quagga mussels D. bugensis, and the subsequent collapse of the amphipod, Diporeia, a once-abundant high energy prey source. Since 1993, Lake Champlain has also experienced the invasion and proliferation of zebra mussels, but in contrast to the Great Lakes, Diporeia were not historically abundant. We compared the diet, condition, and energy density of Lake Whitefish from Lake Champlain after the dreissenid mussel invasion to values for those of Lake Whitefish from Lakes Michigan, Huron, Erie, and Ontario. Lake Whitefish were collected using gill nets and bottom trawls, and their diets were quantified seasonally. Condition was estimated using Fulton's condition factor (K) and by determining energy density. In contrast to Lake Whitefish from some of the Great Lakes, those from Lake Champlain Lake Whitefish did not show a dietary shift towards dreissenid mussels, but instead fed primarily on fish eggs in spring, Mysis diluviana in summer, and gastropods and sphaeriids in fall and winter. Along with these dietary differences, the condition and energy density of Lake Whitefish from Lake Champlain were high compared with those of Lake Whitefish from Lakes Michigan, Huron, and Ontario after the dreissenid invasion, and were similar to Lake Whitefish from Lake Erie; fish from Lakes Michigan, Huron, and Ontario consumed dreissenids, whereas fish from Lake Erie did not. Our comparisons of Lake Whitefish populations in Lake Champlain to those in the Great Lakes indicate that diet and condition of Lake Champlain Lake Whitefish were not negatively affected by the dreissenid mussel invasion.

A cumulant functional for static and dynamic correlation

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

Hollett, Joshua W., E-mail: j.hollett@uwinnipeg.ca; Department of Chemistry, University of Manitoba, Winnipeg, Manitoba R3T 2N2; Hosseini, Hessam

A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H{sub 2}, LiH, and N{sub 2} with equilibrium bond lengths and dissociationmore » energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F{sub 2}, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional.« less

Airfoil-based electromagnetic energy harvester containing parallel array motion between moving coil and multi-pole magnets towards enhanced power density.

PubMed

Leung, Chung Ming; Wang, Ya; Chen, Wusi

2016-11-01

In this letter, the airfoil-based electromagnetic energy harvester containing parallel array motion between moving coil and trajectory matching multi-pole magnets was investigated. The magnets were aligned in an alternatively magnetized formation of 6 magnets to explore enhanced power density. In particular, the magnet array was positioned in parallel to the trajectory of the tip coil within its tip deflection span. The finite element simulations of the magnetic flux density and induced voltages at an open circuit condition were studied to find the maximum number of alternatively magnetized magnets that was required for the proposed energy harvester. Experimental results showed that the energy harvester with a pair of 6 alternatively magnetized linear magnet arrays was able to generate an induced voltage (V o ) of 20 V, with an open circuit condition, and 475 mW, under a 30 Ω optimal resistance load operating with the wind speed (U) at 7 m/s and a natural bending frequency of 3.54 Hz. Compared to the traditional electromagnetic energy harvester with a single magnet moving through a coil, the proposed energy harvester, containing multi-pole magnets and parallel array motion, enables the moving coil to accumulate a stronger magnetic flux in each period of the swinging motion. In addition to the comparison made with the airfoil-based piezoelectric energy harvester of the same size, our proposed electromagnetic energy harvester generates 11 times more power output, which is more suitable for high-power-density energy harvesting applications at regions with low environmental frequency.

Extracorporeal shock wave therapy with low-energy flux density inhibits hypertrophic scar formation in an animal model.

PubMed

Zhao, Jing-Chun; Zhang, Bo-Ru; Hong, Lei; Shi, Kai; Wu, Wei-Wei; Yu, Jia-Ao

2018-04-01

Hypertrophic scar is characterized by excessive deposits of collagen during skin wound healing, which could become a challenge to clinicians. This study assessed the effects of the extracorporeal shock wave therapy (ESWT) on hypertrophic scar formation and the underlying gene regu-lation. A rabbit ear hypertrophic scar model was generated and randomly divided into three groups: L-ESWT group to receive L-ESWT (energy flux density of 0.1 mJ/mm2), H-ESWT (energy flux density of 0.2 mJ/mm2) and sham ESWT group (S-ESWT). Hypertrophic scar tissues were then collected and stained with hematoxylin and eosin (H&E) and Masson's trichrome staining, respectively, to assess scar elevation index (SEI), fibroblast density and collagen fiber arrangement. Expression of cell proliferation marker proliferating cell nuclear antigen (PCNA) and α-smooth muscle actin (α-SMA) were assessed using RT-PCR and immunohistochemistry in hypertrophic scar tissues. H&E staining sections showed significant reduction of SEI and fibroblast density in both ESWT treatment groups compared to S-ESWT, but there was no dramatic difference between L-ESWT and H-ESWT groups. Masson's trichrome staining showed that collagen fibers were more slender and broader and oriented in parallel to skin surface after administration of ESWT compared to control tissues. At the gene level, PCNA‑positive fibroblasts and α-SMA-positive myofibroblasts were significantly decreased after L-ESWT or H-ESWT compared to the controls. Furthermore, there was no significant difference in expression of PCNA mRNA between L-ESWT or H-ESWT and S-ESWT, whereas expression of α-SMA mRNA significantly decreased in L-ESWT compared to that of H-ESWT and S-ESWT (P=0.002 and P=0.030, respectively). In conclusion, L-ESWT could be effective on suppression of hypertrophic scar formation by inhibition of scar elevation index and fibroblast density as well as α-SMA expression in hypertrophic scar tissues of the rabbit model.

Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations

NASA Astrophysics Data System (ADS)

Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle; Wang, Bao-Tian

2017-12-01

We present a systematic investigation of the structural, magnetic, electronic, mechanical, and thermodynamic properties of CmO2 with the local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U approaches. The strong Coulomb repulsion and the spin-orbit coupling (SOC) effects on the lattice structures, electronic density of states, and band gaps are carefully studied, and compared with other A O2 (A =U , Np, Pu, and Am). The ferromagnetic configuration with half-metallic character is predicted to be energetically stable while a charge-transfer semiconductor is predicted for the antiferromagnetic configuration. The elastic constants and phonon spectra show that the fluorite structure is mechanically and dynamically stable. Based on the first-principles phonon density of states, the lattice vibrational energy is calculated using the quasiharmonic approximation. Then, the Gibbs free energy, thermal expansion coefficient, specific heat, and entropy are obtained and compared with experimental data. The mode Grüneisen parameters are presented to analyze the anharmonic properties. The Slack relation is applied to obtain the lattice thermal conductivity in temperature range of 300-1600 K. The phonon group velocities are also calculated to investigate the heat transfer. For all these properties, if available, we compare the results of CmO2 with other A O2 .

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).

Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions.

PubMed

Hoyer, Chad E; Gagliardi, Laura; Truhlar, Donald G

2015-11-05

Time-dependent Kohn-Sham density functional theory (TD-KS-DFT) is useful for calculating electronic excitation spectra of large systems, but the low-energy spectra are often complicated by artificially lowered higher-energy states. This affects even the lowest energy excited states. Here, by calculating the lowest energy spin-conserving excited state for atoms from H to K and for formaldehyde, we show that this problem does not occur in multiconfiguration pair-density functional theory (MC-PDFT). We use the tPBE on-top density functional, which is a translation of the PBE exchange-correlation functional. We compare to a robust multireference method, namely, complete active space second-order perturbation theory (CASPT2), and to TD-KS-DFT with two popular exchange-correlation functionals, PBE and PBE0. We find for atoms that the mean unsigned error (MUE) of MC-PDFT with the tPBE functional improves from 0.42 to 0.40 eV with a double set of diffuse functions, whereas the MUEs for PBE and PBE0 drastically increase from 0.74 to 2.49 eV and from 0.45 to 1.47 eV, respectively.

Activated carbons derived from coconut shells as high energy density cathode material for Li-ion capacitors

PubMed Central

Jain, Akshay; Aravindan, Vanchiappan; Jayaraman, Sundaramurthy; Kumar, Palaniswamy Suresh; Balasubramanian, Rajasekhar; Ramakrishna, Seeram; Madhavi, Srinivasan; Srinivasan, M. P.

2013-01-01

In this manuscript, a dramatic increase in the energy density of ~ 69 Wh kg−1 and an extraordinary cycleability ~ 2000 cycles of the Li-ion hybrid electrochemical capacitors (Li-HEC) is achieved by employing tailored activated carbon (AC) of ~ 60% mesoporosity derived from coconut shells (CS). The AC is obtained by both physical and chemical hydrothermal carbonization activation process, and compared to the commercial AC powders (CAC) in terms of the supercapacitance performance in single electrode configuration vs. Li. The Li-HEC is fabricated with commercially available Li4Ti5O12 anode and the coconut shell derived AC as cathode in non-aqueous medium. The present research provides a new routine for the development of high energy density Li-HEC that employs a mesoporous carbonaceous electrode derived from bio-mass precursors. PMID:24141527

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.

Capacitance of carbon-based electrical double-layer capacitors.

PubMed

Ji, Hengxing; Zhao, Xin; Qiao, Zhenhua; Jung, Jeil; Zhu, Yanwu; Lu, Yalin; Zhang, Li Li; MacDonald, Allan H; Ruoff, Rodney S

2014-01-01

Experimental electrical double-layer capacitances of porous carbon electrodes fall below ideal values, thus limiting the practical energy densities of carbon-based electrical double-layer capacitors. Here we investigate the origin of this behaviour by measuring the electrical double-layer capacitance in one to five-layer graphene. We find that the capacitances are suppressed near neutrality, and are anomalously enhanced for thicknesses below a few layers. We attribute the first effect to quantum capacitance effects near the point of zero charge, and the second to correlations between electrons in the graphene sheet and ions in the electrolyte. The large capacitance values imply gravimetric energy storage densities in the single-layer graphene limit that are comparable to those of batteries. We anticipate that these results shed light on developing new theoretical models in understanding the electrical double-layer capacitance of carbon electrodes, and on opening up new strategies for improving the energy density of carbon-based capacitors.

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.

On the phase diagram of water with density functional theory potentials: the melting temperature of Ice I-h with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals

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

Yoo, Soohaeng; Zeng, Xiao Cheng; Xantheas, Sotiris S.

2009-06-11

The melting temperature (Tm) of ice Ih was determined from constant enthalphy (NPH) Born-Oppenheimer Molecular Dynamics (BOMD) simulations to be 417±3 K for the Perdew-Burke-Ernzerhof (PBE) and 411±4 K for the Becke-Lee-Yang-Parr (BLYP) density functionals using a coexisting ice (Ih)-liquid phase at constant pressures of P = 2,500 and 10,000 bar and a density ρ = 1 g/cm3, respectively. This suggests that ambient condition simulations at ρ = 1 g/cm3 will rather describe a supercooled state that is overstructured when compared to liquid water. This work was supported by the US Department of Energy Office of Basic Energy Sciences' Chemicalmore » Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.« less

Mass-number and excitation-energy dependence of the spin cutoff parameter

DOE PAGES

Grimes, S. M.; Voinov, A. V.; Massey, T. N.

2016-07-12

Here, the spin cutoff parameter determining the nuclear level density spin distribution ρ(J) is defined through the spin projection as < J 2 z > 1/2 or equivalently for spherical nuclei, (< J(J+1) >/3) 1/2. It is needed to divide the total level density into levels as a function of J. To obtain the total level density at the neutron binding energy from the s-wave resonance count, the spin cutoff parameter is also needed. The spin cutoff parameter has been calculated as a function of excitation energy and mass with a super-conducting Hamiltonian. Calculations have been compared with two commonlymore » used semiempirical formulas. A need for further measurements is also observed. Some complications for deformed nuclei are discussed. The quality of spin cut off parameter data derived from isomeric ratio measurement is examined.« less

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

Engineering the Pores of Biomass-Derived Carbon: Insights for Achieving Ultrahigh Stability at High Power in High-Energy Supercapacitors.

PubMed

Thangavel, Ranjith; Kaliyappan, Karthikeyan; Ramasamy, Hari Vignesh; Sun, Xueliang; Lee, Yun-Sung

2017-07-10

Electrochemical supercapacitors with high energy density are promising devices due to their simple construction and long-term cycling performance. The development of a supercapacitor based on electrical double-layer charge storage with high energy density that can preserve its cyclability at higher power presents an ongoing challenge. Herein, we provide insights to achieve a high energy density at high power with an ultrahigh stability in an electrical double-layer capacitor (EDLC) system by using carbon from a biomass precursor (cinnamon sticks) in a sodium ion-based organic electrolyte. Herein, we investigated the dependence of EDLC performance on structural, textural, and functional properties of porous carbon engineered by using various activation agents. The results demonstrate that the performance of EDLCs is not only dependent on their textural properties but also on their structural features and surface functionalities, as is evident from the electrochemical studies. The electrochemical results are highly promising and revealed that the porous carbon with poor textural properties has great potential to deliver high capacitance and outstanding stability over 300 000 cycles compared with porous carbon with good textural properties. A very low capacitance degradation of around 0.066 % per 1000 cycles, along with high energy density (≈71 Wh kg -1 ) and high power density, have been achieved. These results offer a new platform for the application of low-surface-area biomass-derived carbons in the design of highly stable high-energy supercapacitors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mass density images from the diffraction enhanced imaging technique.

PubMed

Hasnah, M O; Parham, C; Pisano, E D; Zhong, Z; Oltulu, O; Chapman, D

2005-02-01

Conventional x-ray radiography measures the projected x-ray attenuation of an object. It requires attenuation differences to obtain contrast of embedded features. In general, the best absorption contrast is obtained at x-ray energies where the absorption is high, meaning a high absorbed dose. Diffraction-enhanced imaging (DEI) derives contrast from absorption, refraction, and extinction. The refraction angle image of DEI visualizes the spatial gradient of the projected electron density of the object. The projected electron density often correlates well with the projected mass density and projected absorption in soft-tissue imaging, yet the mass density is not an "energy"-dependent property of the object, as is the case of absorption. This simple difference can lead to imaging with less x-ray exposure or dose. In addition, the mass density image can be directly compared (i.e., a signal-to-noise comparison) with conventional radiography. We present the method of obtaining the mass density image, the results of experiments in which comparisons are made with radiography, and an application of the method to breast cancer imaging.

The energy balance and pressure in the solar transition zone for network and active region features

NASA Technical Reports Server (NTRS)

Nicolas, K. R.; Bartoe, J.-D. F.; Brueckner, G. E.; Vanhoosier, M. E.

1979-01-01

The electron pressure and energy balance in the solar transition zone are determined for about 125 network and active region features on the basis of high spectral and spatial resolution extreme ultraviolet spectra. Si III line intensity ratios obtained from the Naval Research Laboratory high-resolution telescope and spectrograph during a rocket flight are used as diagnostics of electron density and pressure for solar features near 3.5 x 10 to the 4th K. Observed ratios are compared with the calculated dependence of the 1301 A/1312 A and 1301 A/1296 A line intensity ratios on electron density, temperature and pressure. Electron densities ranging from 2 x 10 to the 10th/cu cm to 10 to the 12th/cu cm and active region pressures from 3 x 10 to the 15th to 10 to the 16th/cu cm K are obtained. Energy balance calculations reveal the balance of the divergence of the conductive flux and turbulent energy dissipation by radiative energy losses in a plane-parallel homogeneous transition zone (fill factor of 1), and an energy source requirement for a cylindrical zone geometry (fill factor less than 0.04).

Fuel-powered artificial muscles.

PubMed

Ebron, Von Howard; Yang, Zhiwei; Seyer, Daniel J; Kozlov, Mikhail E; Oh, Jiyoung; Xie, Hui; Razal, Joselito; Hall, Lee J; Ferraris, John P; Macdiarmid, Alan G; Baughman, Ray H

2006-03-17

Artificial muscles and electric motors found in autonomous robots and prosthetic limbs are typically battery-powered, which severely restricts the duration of their performance and can necessitate long inactivity during battery recharge. To help solve these problems, we demonstrated two types of artificial muscles that convert the chemical energy of high-energy-density fuels to mechanical energy. The first type stores electrical charge and uses changes in stored charge for mechanical actuation. In contrast with electrically powered electrochemical muscles, only half of the actuator cycle is electrochemical. The second type of fuel-powered muscle provides a demonstrated actuator stroke and power density comparable to those of natural skeletal muscle and generated stresses that are over a hundred times higher.

An Assessment of Subsurface Residual Stress Analysis in SLM Ti-6Al-4V

PubMed Central

Mishurova, Tatiana; Cabeza, Sandra; Artzt, Katia; Haubrich, Jan; Klaus, Manuela; Genzel, Christoph; Requena, Guillermo; Bruno, Giovanni

2017-01-01

Ti-6Al-4V bridges were additively fabricated by selective laser melting (SLM) under different scanning speed conditions, to compare the effect of process energy density on the residual stress state. Subsurface lattice strain characterization was conducted by means of synchrotron diffraction in energy dispersive mode. High tensile strain gradients were found at the frontal surface for samples in an as-built condition. The geometry of the samples promotes increasing strains towards the pillar of the bridges. We observed that the higher the laser energy density during fabrication, the lower the lattice strains. A relief of lattice strains takes place after heat treatment. PMID:28772706

Structure of 8Li from a reaction cross-section measurement

NASA Astrophysics Data System (ADS)

Fan, G. W.; Fukuda, M.; Nishimura, D.; Cai, X. L.; Fukuda, S.; Hachiuma, I.; Ichikawa, C.; Izumikawa, T.; Kanazawa, M.; Kitagawa, A.; Kuboki, T.; Lantz, M.; Mihara, M.; Nagashima, M.; Namihira, K.; Ohkuma, Y.; Ohtsubo, T.; Ren, Zhongzhou; Sato, S.; Shen, Z. Q.; Sugiyama, M.; Suzuki, S.; Suzuki, T.; Takechi, M.; Yamaguchi, T.; Xu, B. J.; Xu, W.

2014-10-01

We have precisely measured reaction cross sections (σR) for 8Li using 9Be, 12C , 27Al, and proton targets at intermediate energies by the transmission method. From the energy dependence of the σR including the high energy data, the density distribution of 8Li was deduced through a modified Glauber model. It is shown that 8Li has a shorter tail structure in the density as compared with that of 8B and the matter radius of 8Li is similar to those of the other nonhalo Li isotopes. The result is consistent with the previous experiments that there is a tendency for 8Li to be a skin nucleus.

First-principles equation-of-state table of silicon and its effects on high-energy-density plasma simulations

NASA Astrophysics Data System (ADS)

Hu, S. X.; Gao, R.; Ding, Y.; Collins, L. A.; Kress, J. D.

2017-04-01

Using density-functional theory-based molecular-dynamics simulations, we have investigated the equation of state for silicon in a wide range of plasma density and temperature conditions of ρ =0.001 -500 g /c m3 and T =2000 -108K . With these calculations, we have established a first-principles equation-of-state (FPEOS) table of silicon for high-energy-density (HED) plasma simulations. When compared with the widely used SESAME-EOS model (Table 3810), we find that the FPEOS-predicted Hugoniot is ˜20% softer; for off-Hugoniot plasma conditions, the pressure and internal energy in FPEOS are lower than those of SESAME EOS for temperatures above T ≈ 1-10 eV (depending on density), while the former becomes higher in the low-T regime. The pressure difference between FPEOS and SESAME 3810 can reach to ˜50%, especially in the warm-dense-matter regime. Implementing the FPEOS table of silicon into our hydrocodes, we have studied its effects on Si-target implosions. When compared with the one-dimensional radiation-hydrodynamics simulation using the SESAME 3810 EOS model, the FPEOS simulation showed that (1) the shock speed in silicon is ˜10% slower; (2) the peak density of an in-flight Si shell during implosion is ˜20% higher than the SESAME 3810 simulation; (3) the maximum density reached in the FPEOS simulation is ˜40% higher at the peak compression; and (4) the final areal density and neutron yield are, respectively, ˜30% and ˜70% higher predicted by FPEOS versus the traditional simulation using SESAME 3810. All of these features can be attributed to the larger compressibility of silicon predicted by FPEOS. These results indicate that an accurate EOS table, like the FPEOS presented here, could be essential for the precise design of targets for HED experiments.

First-principles equation-of-state table of silicon and its effects on high-energy-density plasma simulations

DOE PAGES

Hu, S. X.; Gao, R.; Ding, Y.; ...

2017-04-21

Using density-functional theory–based molecular-dynamics simulations, we have investigated the equation of state for silicon in a wide range of plasma density and temperature conditions of ρ=0.001–500g/cm 3 and T=2000–10 8K. With these calculations, we have established a first-principles equation-of-state (FPEOS) table of silicon for high-energy-density (HED) plasma simulations. When compared with the widely used SESAME-EOS model (Table 3810), we find that the FPEOS-predicted Hugoniot is ~20% softer; for off-Hugoniot plasma conditions, the pressure and internal energy in FPEOS are lower than those of SESAME EOS for temperatures above T ≈ 1–10 eV (depending on density), while the former becomes highermore » in the low- T regime. The pressure difference between FPEOS and SESAME 3810 can reach to ~50%, especially in the warm-dense-matter regime. Implementing the FPEOS table of silicon into our hydrocodes, we have studied its effects on Si-target implosions. When compared with the one-dimensional radiation-hydrodynamics simulation using the SESAME 3810 EOS model, the FPEOS simulation showed that (1) the shock speed in silicon is ~10% slower; (2) the peak density of an in-flight Si shell during implosion is ~20% higher than the SESAME 3810 simulation; (3) the maximum density reached in the FPEOS simulation is ~40% higher at the peak compression; and (4) the final areal density and neutron yield are, respectively, ~30% and ~70% higher predicted by FPEOS versus the traditional simulation using SESAME 3810. All of these features can be attributed to the larger compressibility of silicon predicted by FPEOS. Furthermore, these results indicate that an accurate EOS table, like the FPEOS presented here, could be essential for the precise design of targets for HED experiments.« less

High Performance Microbial Fuel Cells and Supercapacitors Using Micro-Electro-Mechanical System (MEMS) Technology

NASA Astrophysics Data System (ADS)

Ren, Hao

A Microbial fuel cell (MFC) is a bio-inspired carbon-neutral, renewable electrochemical converter to extract electricity from catabolic reaction of micro-organisms. It is a promising technology capable of directly converting the abundant biomass on the planet into electricity and potentially alleviate the emerging global warming and energy crisis. The current and power density of MFCs are low compared with conventional energy conversion techniques. Since its debut in 2002, many studies have been performed by adopting a variety of new configurations and structures to improve the power density. The reported maximum areal and volumetric power densities range from 19 mW/m2 to 1.57 W/m2 and from 6.3 W/m3 to 392 W/m 3, respectively, which are still low compared with conventional energy conversion techniques. In this dissertation, the impact of scaling effect on the performance of MFCs are investigated, and it is found that by scaling down the characteristic length of MFCs, the surface area to volume ratio increases and the current and power density improves. As a result, a miniaturized MFC fabricated by Micro-Electro-Mechanical System (MEMS) technology with gold anode is presented in this dissertation, which demonstrate a high power density of 3300 W/m3. The performance of the MEMS MFC is further improved by adopting anodes with higher surface area to volume ratio, such as carbon nanotube (CNT) and graphene based anodes, and the maximum power density is further improved to a record high power density of 11220 W/m3. A novel supercapacitor by regulating the respiration of the bacteria is also presented, and a high power density of 531.2 A/m2 (1,060,000 A/m3) and 197.5 W/m2 (395,000 W/m3), respectively, are marked, which are one to two orders of magnitude higher than any previously reported microbial electrochemical techniques.

First-principles equation-of-state table of silicon and its effects on high-energy-density plasma simulations

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

Hu, S. X.; Gao, R.; Ding, Y.

Using density-functional theory–based molecular-dynamics simulations, we have investigated the equation of state for silicon in a wide range of plasma density and temperature conditions of ρ=0.001–500g/cm 3 and T=2000–10 8K. With these calculations, we have established a first-principles equation-of-state (FPEOS) table of silicon for high-energy-density (HED) plasma simulations. When compared with the widely used SESAME-EOS model (Table 3810), we find that the FPEOS-predicted Hugoniot is ~20% softer; for off-Hugoniot plasma conditions, the pressure and internal energy in FPEOS are lower than those of SESAME EOS for temperatures above T ≈ 1–10 eV (depending on density), while the former becomes highermore » in the low- T regime. The pressure difference between FPEOS and SESAME 3810 can reach to ~50%, especially in the warm-dense-matter regime. Implementing the FPEOS table of silicon into our hydrocodes, we have studied its effects on Si-target implosions. When compared with the one-dimensional radiation-hydrodynamics simulation using the SESAME 3810 EOS model, the FPEOS simulation showed that (1) the shock speed in silicon is ~10% slower; (2) the peak density of an in-flight Si shell during implosion is ~20% higher than the SESAME 3810 simulation; (3) the maximum density reached in the FPEOS simulation is ~40% higher at the peak compression; and (4) the final areal density and neutron yield are, respectively, ~30% and ~70% higher predicted by FPEOS versus the traditional simulation using SESAME 3810. All of these features can be attributed to the larger compressibility of silicon predicted by FPEOS. Furthermore, these results indicate that an accurate EOS table, like the FPEOS presented here, could be essential for the precise design of targets for HED experiments.« less

Theoretical Design on a Series of Novel Bicyclic and Cage Nitramines as High Energy Density Compounds.

PubMed

Pan, Yong; Zhu, Weihua

2017-11-30

We designed four bicyclic nitramines and three cage nitramines by incorporating -N(NO 2 )-CH 2 -N(NO 2 )-, -N(NO 2 )-, and -O- linkages based on the HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) framework. Then, their electronic structure, heats of formation, energetic properties, strain energy, thermal stability, and impact sensitivity were systematically studied using density functional theory (DFT). Compared to the parent compound HMX, all the title compounds have much higher density, better detonation properties, and better oxygen balance. Among them, four compounds have extraordinary high detonation properties (D > 9.70 km/s and P > 44.30 GPa). Moreover, most of the title compounds exhibit better thermal stability and lower impact sensitivity than CL-20 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) or HNHAA (hexanitrohexaazaadamantane). Thus, all of the seven new nitramine compounds are promising candidates for high energy density compounds. In particular, five compounds exhibit a best combination of better oxygen balance, good thermal stability, excellent detonation properties superior to or comparable to CL-20 or HNHAA, and lower impact sensitivity than CL-20 or HNHAA. The results indicate that our unusual design strategy that constructing bicyclic or cage nitramines based on the HMX framework by incorporating the intramolecular linkages is very useful for developing novel energetic compounds with excellent detonation performance and low sensitivity.

Walnut consumption in a weight reduction intervention: effects on body weight, biological measures, blood pressure and satiety.

PubMed

Rock, Cheryl L; Flatt, Shirley W; Barkai, Hava-Shoshana; Pakiz, Bilge; Heath, Dennis D

2017-12-04

Dietary strategies that help patients adhere to a weight reduction diet may increase the likelihood of weight loss maintenance and improved long-term health outcomes. Regular nut consumption has been associated with better weight management and less adiposity. The objective of this study was to compare the effects of a walnut-enriched reduced-energy diet to a standard reduced-energy-density diet on weight, cardiovascular disease risk factors, and satiety. Overweight and obese men and women (n = 100) were randomly assigned to a standard reduced-energy-density diet or a walnut-enriched (15% of energy) reduced-energy diet in the context of a behavioral weight loss intervention. Measurements were obtained at baseline and 3- and 6-month clinic visits. Participants rated hunger, fullness and anticipated prospective consumption at 3 time points during the intervention. Body measurements, blood pressure, physical activity, lipids, tocopherols and fatty acids were analyzed using repeated measures mixed models. Both study groups reduced body weight, body mass index and waist circumference (time effect p < 0.001 for each). Change in weight was -9.4 (0.9)% vs. -8.9 (0.7)% (mean [SE]), for the standard vs. walnut-enriched diet groups, respectively. Systolic blood pressure decreased in both groups at 3 months, but only the walnut-enriched diet group maintained a lower systolic blood pressure at 6 months. The walnut-enriched diet group, but not the standard reduced-energy-density diet group, reduced total cholesterol and low-density lipoprotein cholesterol (LDL-C) at 6 months, from 203 to 194 mg/dL and 121 to 112 mg/dL, respectively (p < 0.05). Self-reported satiety was similar in the groups. These findings provide further evidence that a walnut-enriched reduced-energy diet can promote weight loss that is comparable to a standard reduced-energy-density diet in the context of a behavioral weight loss intervention. Although weight loss in response to both dietary strategies was associated with improvements in cardiovascular disease risk factors, the walnut-enriched diet promoted more favorable effects on LDL-C and systolic blood pressure. The trial is registered at ( NCT02501889 ).

Bone Density in Adolescents and Young Adults with Autism Spectrum Disorders

ERIC Educational Resources Information Center

Ekhlaspour, Laya; Baskaran, Charumathi; Campoverde, Karen Joanie; Sokoloff, Natalia Cano; Neumeyer, Ann M.; Misra, Madhusmita

2016-01-01

Patients with autism spectrum disorder (ASD) are at increased risk for fracture, and peri-pubertal boys with ASD have lower bone mineral density (BMD) than controls. Data are lacking regarding BMD in older adolescents with ASD. We compared BMD using dual-energy X-ray absorptiometry in 9 adolescents/young adults with ASD against 9 typically…

Favre-Averaged Turbulence Statistics in Variable Density Mixing of Buoyant Jets

NASA Astrophysics Data System (ADS)

Charonko, John; Prestridge, Kathy

2014-11-01

Variable density mixing of a heavy fluid jet with lower density ambient fluid in a subsonic wind tunnel was experimentally studied using Particle Image Velocimetry and Planar Laser Induced Fluorescence to simultaneously measure velocity and density. Flows involving the mixing of fluids with large density ratios are important in a range of physical problems including atmospheric and oceanic flows, industrial processes, and inertial confinement fusion. Here we focus on buoyant jets with coflow. Results from two different Atwood numbers, 0.1 (Boussinesq limit) and 0.6 (non-Boussinesq case), reveal that buoyancy is important for most of the turbulent quantities measured. Statistical characteristics of the mixing important for modeling these flows such as the PDFs of density and density gradients, turbulent kinetic energy, Favre averaged Reynolds stress, turbulent mass flux velocity, density-specific volume correlation, and density power spectra were also examined and compared with previous direct numerical simulations. Additionally, a method for directly estimating Reynolds-averaged velocity statistics on a per-pixel basis is extended to Favre-averages, yielding improved accuracy and spatial resolution as compared to traditional post-processing of velocity and density fields.

Self-injection of electrons in a laser-wakefield accelerator by using longitudinal density ripple

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

Dahiya, Deepak; Sharma, A. K.; Sajal, Vivek

By introducing a longitudinal density ripple (periodic modulation in background plasma density), we demonstrate self-injection of electrons in a laser-wakefield accelerator. The wakefield driven plasma wave, in presence of density ripple excites two side band waves of same frequency but different wave numbers. One of these side bands, having smaller phase velocity compared to wakefield driven plasma wave, preaccelerates the background plasma electrons. Significant number of these preaccelerated electrons get trapped in the laser-wakefield and further accelerated to higher energies.

Benefits of snacking in older Americans.

PubMed

Zizza, Claire A; Tayie, Francis A; Lino, Mark

2007-05-01

Because energy intakes decline with age, the purpose of this study was to evaluate the influence of snacking on energy intakes and energy density in older adults. Twenty-four-hour dietary recall data from the National Health and Nutrition Examination Survey 1999-2002 were used to compare the diets of snackers and nonsnackers. This study included 2,002 adults aged 65 years and older. All statistical analyses accounted for the survey design and sample weights. Linear regression was used to estimate energy and energy-yielding nutrient intakes, eating occasions, energy intake per eating occasions, and energy density of eating occasions. The prevalence of snacking was high (84%) among this age group, and snackers had significantly higher daily intakes of energy, protein, carbohydrate, and total fat. Alcohol intakes were not significantly different. For those who snacked, it contributed almost a quarter of their energy and carbohydrate intakes and a fifth of their daily fat intakes. Snacking contributed 14% of their daily protein intakes. Snackers had, on average, two and a half snacking occasions per day, with each snacking occasion contributing 150 kcal. The average energy contribution of meals was not different between snackers and nonsnackers. The energy density of meals is significantly greater for snackers than for nonsnackers. Results from this study demonstrate that snacking is an important dietary behavior among older adults. Whereas snacking may promote energy imbalance resulting in obesity among other age groups, our results suggest snacking may ensure older adults consume diets adequate in energy.

Quantum corrections in thermal states of fermions on anti-de Sitter space-time

NASA Astrophysics Data System (ADS)

Ambruş, Victor E.; Winstanley, Elizabeth

2017-12-01

We study the energy density and pressure of a relativistic thermal gas of massless fermions on four-dimensional Minkowski and anti-de Sitter space-times using relativistic kinetic theory. The corresponding quantum field theory quantities are given by components of the renormalized expectation value of the stress-energy tensor operator acting on a thermal state. On Minkowski space-time, the renormalized vacuum expectation value of the stress-energy tensor is by definition zero, while on anti-de Sitter space-time the vacuum contribution to this expectation value is in general nonzero. We compare the properties of the vacuum and thermal expectation values of the energy density and pressure for massless fermions and discuss the circumstances in which the thermal contribution dominates over the vacuum one.

Energy, nutrient and food content of snacks in French adults.

PubMed

Si Hassen, Wendy; Castetbon, Katia; Tichit, Christine; Péneau, Sandrine; Nechba, Anouar; Ducrot, Pauline; Lampuré, Aurélie; Bellisle, France; Hercberg, Serge; Méjean, Caroline

2018-02-27

Snacking raises concern since it may lead to an additional energy intake and poor nutrient quality. A snacking occasion can be defined as any eating occasion apart from main meals, regardless of the amount or type of foods consumed. We described the frequency of snacking occasions according to daily timing in French adults, and compared them between each other, and with the main meals, in terms of energy intake, energy and nutrient density, and food content. This cross-sectional analysis included 104,265 adults from the NutriNet-Santé cohort. Food intake was estimated using 24-h records of weekdays. For each eating occasion, nutrient density and energy content and density were computed. After weighting, 47.6% of our sample were men and mean age was 45.6 (15.3). Overall, 68% of participants ate at least one snack during the reported record, mainly in the morning or afternoon. Overall snack had a lower nutrient density [22.8 (SD = 278.3)] than main meals [25.8 (36.9) to 30.0 (30.4)]; but higher energy density [222.2 (163.3) kcal/100 g] than meals [133.9 (57.3) to 175.9 (99.6) kcal/100 g]. Morning snack was the snacking occasion with the lowest energy density [211 kcal/100 g], the lowest energy intake [104.1 kcal] and the highest nutrient density [60.1]. Afternoon and evening snacks had the highest energy loads [192.4 kcal and 207.6 kcal], but low nutrient scores [16 and 13, respectively]. The main food groups contributing to energy intake from snacks were fatty-sweet and sugary foods, fruit, hot beverages, and bread. Our findings highlight the frequency of snacking and the varying nutritional quality of snacks over the day. The morning snack was shown to be healthier than afternoon and evening snacks. This study was conducted according to guidelines laid down in the Declaration of Helsinki, and all procedures were approved by the Institutional Review Board of the French Institute for Health and Medical Research (IRB Inserm No. 0000388FWA00005831) and the French Data Protection Authority (Commission Nationale Informatique et Libertés No. 908450 and No. 909216). Electronic informed consent was obtained from all participants (Clinical Trial no. NCT03335644 ).

Extending density functional embedding theory for covalently bonded systems.

PubMed

Yu, Kuang; Carter, Emily A

2017-12-19

Quantum embedding theory aims to provide an efficient solution to obtain accurate electronic energies for systems too large for full-scale, high-level quantum calculations. It adopts a hierarchical approach that divides the total system into a small embedded region and a larger environment, using different levels of theory to describe each part. Previously, we developed a density-based quantum embedding theory called density functional embedding theory (DFET), which achieved considerable success in metals and semiconductors. In this work, we extend DFET into a density-matrix-based nonlocal form, enabling DFET to study the stronger quantum couplings between covalently bonded subsystems. We name this theory density-matrix functional embedding theory (DMFET), and we demonstrate its performance in several test examples that resemble various real applications in both chemistry and biochemistry. DMFET gives excellent results in all cases tested thus far, including predicting isomerization energies, proton transfer energies, and highest occupied molecular orbital-lowest unoccupied molecular orbital gaps for local chromophores. Here, we show that DMFET systematically improves the quality of the results compared with the widely used state-of-the-art methods, such as the simple capped cluster model or the widely used ONIOM method.

High-current fast electron beam propagation in a dielectric target.

PubMed

Klimo, Ondrej; Tikhonchuk, V T; Debayle, A

2007-01-01

Recent experiments demonstrate an efficient transformation of high intensity laser pulse into a relativistic electron beam with a very high current density exceeding 10(12) A cm(-2). The propagation of such a beam inside the target is possible if its current is neutralized. This phenomenon is not well understood, especially in dielectric targets. In this paper, we study the propagation of high current density electron beam in a plastic target using a particle-in-cell simulation code. The code includes both ionization of the plastic and collisions of newborn electrons. The numerical results are compared with a relatively simple analytical model and a reasonable agreement is found. The temporal evolution of the beam velocity distribution, the spatial density profile, and the propagation velocity of the ionization front are analyzed and their dependencies on the beam density and energy are discussed. The beam energy losses are mainly due to the target ionization induced by the self-generated electric field and the return current. For the highest beam density, a two-stream instability is observed to develop in the plasma behind the ionization front and it contributes to the beam energy losses.

Irradiation-induced Ag nanocluster nucleation in silicate glasses: Analogy with photography

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

Espiau de Lamaestre, R.; Fontainebleau Research Center, Corning SA, 77210 Avon; Bea, H.

2007-11-15

The synthesis of Ag nanoclusters in soda lime silicate glasses and silica was studied by optical absorption and electron spin resonance experiments under both low (gamma ray) and high (MeV ion) deposited energy density irradiation conditions. Both types of irradiation create electrons and holes whose density and thermal evolution--notably via their interaction with defects--are shown to determine the clustering and growth rates of Ag nanocrystals. We thus establish the influence of redox interactions of defects and silver (poly)ions. The mechanisms are similar to the latent image formation in photography: Irradiation-induced photoelectrons are trapped within the glass matrix, notably on dissolvedmore » noble metal ions and defects, which are thus neutralized (reverse oxidation reactions are also shown to exist). Annealing promotes metal atom diffusion, which, in turn, leads to cluster nuclei formation. The cluster density depends not only on the irradiation fluence but also--and primarily--on the density of deposited energy and the redox properties of the glass. Ion irradiation (i.e., large deposited energy density) is far more effective in cluster formation, despite its lower neutralization efficiency (from Ag{sup +} to Ag{sup 0}) as compared to gamma photon irradiation.« less

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.

Effects of ultrasonic pretreatment on quantity and composition of bacterial DNA recovered from granular activated carbon used for drinking water treatment.

PubMed

Kim, Tae Gwan; Kim, Sun-Hye; Cho, Kyung-Suk

2014-01-01

Effects of ultrasonic pretreatment on bacterial DNA recovery from granular activated carbon (GAC) were investigated. GAC (Calgon F400), biologically activated, was sampled from an actual drinking water plant. Different ultrasonic energy densities (0-400 J·cm(-3)) were applied with agitation (250 rpm for 30 min), and recovered bacterial DNA was quantified using quantitative PCR. Energy density was linearly correlated with the concentration of carbon fines produced from GAC during ultrasonication. Ultrasonication alone had no effect on DNA recovery at ≤60 J·cm(-3), but a strongly adverse effect at >67 J·cm(-3) due to the produced carbon fines. Agitation along with ultrasonication strongly enhanced the bacterial DNA recovery when ≤40 J·cm(-3) was applied, although it did not affect the production of carbon fines. Ribosomal tag pyrosequencing was used to compare recovered bacterial communities (0, 20 and 30 J·cm(-3) with or without agitation). Ultrasonication allowed for obtaining a more diverse and richer bacterial community from GAC, compared with the control. Agitation did not show a positive effect on community organization (richness and diversity). Consistently, canonical correspondence analysis indicated that the energy density was associated with the relative abundances of particular bacterial members (P < 0.05), while agitation did not. Correspondence analysis revealed that the recovered bacterial communities were grouped according to the applied energy densities. In conclusion, ultrasonication and agitation influence the recovered DNA in quality and quantity, respectively, and carbon fines as a by-product by ultrasonication interfere with the DNA recovery.

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

Nuclear structure and reaction properties of Ne, Mg and Si isotopes with RMF densities

NASA Astrophysics Data System (ADS)

Panda, R. N.; Sharma, Mahesh K.; Patra, S. K.

2014-01-01

We have studied nuclear structure and reaction properties of Ne, Mg and Si isotopes, using relativistic mean field (RMF) densities, in the framework of Glauber model. Total reaction cross-section σR for Ne isotopes on 12C target have been calculated at incident energy 240 MeV. The results are compared with the experimental data and with the recent theoretical study [W. Horiuchi et al., Phys. Rev. C 86, 024614 (2012)]. Study of σR using deformed densities have shown a good agreement with the data. We have also predicted total reaction cross-section σR for Ne, Mg and Si isotopes as projectiles and 12C as target at different incident energies.

Effects of NN potentials on p Nuclides in the A ˜100-120 region

NASA Astrophysics Data System (ADS)

Lahiri, C.; Biswal, S. K.; Patra, S. K.

2016-02-01

Microscopic optical potentials for low-energy proton reactions have been obtained by folding density dependent M3Y (DDM3Y) interaction derived from nuclear matter calculation with densities from mean field approach to study astrophysically important proton rich nuclei in mass 100-120 region. We compare S factors for low-energy (p,γ) reactions with available experimental data and further calculate astrophysical reaction rates for (p,γ) and (p,n) reactions. Again, we choose some nonlinear R3Y (NR3Y) interactions from relativistic mean field (RMF) calculation and folded them with corresponding RMF densities to reproduce experimental S-factor values in this mass region. Finally, the effect of nonlinearity on our result is discussed.

Storage of Organic and Inorganic Carbon in Human Settlements

NASA Astrophysics Data System (ADS)

Churkina, G.

2009-12-01

It has been shown that urban areas have carbon density comparable with tropical forest. Carbon density of urban areas may be even higher, because the density of organic carbon only was taking into account. Human settlements store carbon in two forms such as organic and inorganic. Carbon is stored in organic form in living biomass such as trees, grasses or in artifacts derived from biomass such as wooden furniture, building structures, paper, clothes and shoes made from natural materials. Inorganic carbon or fossil carbon, meanwhile, is primarily stored in objects fabricated by people like concrete, plastic, asphalt, and bricks. The key difference between organic and inorganic forms of carbon is how they return to the gaseous state. Organic carbon can be returned to the atmosphere without applying additional artificial energy through decomposition of organic matter, whereas energy input such as burning is needed to release inorganic carbon. In this study I compare inorganic with organic carbon storage, discuss their carbon residence time, decomposition rates, and possible implications for carbon emissions.

High Performance Lithium-Ion Hybrid Capacitors Employing Fe3O4-Graphene Composite Anode and Activated Carbon Cathode.

PubMed

Zhang, Shijia; Li, Chen; Zhang, Xiong; Sun, Xianzhong; Wang, Kai; Ma, Yanwei

2017-05-24

Lithium-ion capacitors (LICs) are considered as promising energy storage devices to realize excellent electrochemical performance, with high energy-power output. In this work, we employed a simple method to synthesize a composite electrode material consisting of Fe 3 O 4 nanocrystallites mechanically anchored among the layers of three-dimensional arrays of graphene (Fe 3 O 4 -G), which exhibits several advantages compared with other traditional electrode materials, such as high Li storage capacity (820 mAh g -1 at 0.1 A g -1 ), high electrical conductivity, and improved electrochemical stability. Furthermore, on the basis of the appropriated charge balance between cathode and anode, we successfully fabricated Fe 3 O 4 -G//activated carbon (AC) soft-packaging LICs with a high energy density of 120.0 Wh kg -1 , an outstanding power density of 45.4 kW kg -1 (achieved at 60.5 Wh kg -1 ), and an excellent capacity retention of up to 94.1% after 1000 cycles and 81.4% after 10 000 cycles. The energy density of the Fe 3 O 4 -G//AC hybrid device is comparable with Ni-metal hydride batteries, and its capacitive power capability and cycle life is on par with supercapacitors (SCs). Therefore, this lithium-ion hybrid capacitor is expected to bridge the gap between Li-ion battery and SCs and gain bright prospects in next-generation energy storage fields.

Investigation of radiological properties of some shielding materials on charged and uncharged radiation interaction for neutron generator

NASA Astrophysics Data System (ADS)

Büyükyıldız, Mehmet

2017-04-01

Radiation interaction parameters such as total stopping power, projected range (longitudinal and lateral) straggling, mass attenuation coefficient, effective atomic number (Zeff) and electron density (Neff) of some shielding materials were investigated for photon and heavy charged particle interactions. The ranges, stragglings and mass attenuation coefficients were calculated for the high-density polyethylene(HDPE), borated polyethylene (BPE), brick (common silica), concrete (regular), wood, water, stainless steel (304), aluminum (alloy 6061-O), lead and bismuth using SRIM Monte Carlo software and WinXCom program. In addition, effective atomic numbers (Zeff) and electron densities (Neff) of HDPE, BPE, brick (common silica), concrete (regular), wood, water, stainless steel (304) and aluminum (alloy 6061-O) were calculated in the energy region 10 keV-100 MeV using mass stopping powers and mass attenuation coefficients. Two different methods namely direct and interpolation procedures were used to calculate Zeff for comparison and significant differences were determined between the methods. Variations of the ranges, longitudinal and lateral stragglings of water, concrete and stainless steel (304) were compared with each other in the continuous kinetic energy region and discussed with respect to their Zeffs. Moreover, energy absorption buildup factors (EABF) and exposure buildup factors (EBF) of the materials were determined for gamma rays as well and were compared with each other for different photon energies and different mfps in the photon energy region 0.015-15 MeV.

Bioenergy from Coastal bermudagrass receiving subsurface drip irrigation with advance-treated swine wastewater.

PubMed

Cantrell, Keri B; Stone, Kenneth C; Hunt, Patrick G; Ro, Kyoung S; Vanotti, Matias B; Burns, Joseph C

2009-07-01

Coastal bermudagrass (Cynodon dactylon L.) may be a potentially important source of bio-based energy in the southern US due to its vast acreage. It is often produced as part of a waste management plan with varying nutrient composition and energy characteristics on fields irrigated with livestock wastewater. The objective of this study was to determine the effect of subsurface drip irrigation with treated swine wastewater on both the quantity and quality of bermudagrass bioenergy. The treated wastewater was recycled from an advanced treatment system and used for irrigation of bermudagrass in two crop seasons. The experiment had nine water and drip line spacing treatments arrayed in a randomized complete block-design with four replicates. The bermudagrass was analyzed for calorific and mineral contents. Bermudagrass energy yields for 2004 and 2005 ranged from 127.4 to 251.4MJ ha(-1). Compared to irrigation with commercial nitrogen fertilizer, the least biomass energy density was associated with bermudagrass receiving treated swine wastewater. Yet, in 2004 the wastewater irrigated bermudagrass had greater hay yields leading to greater energy yield per ha. This decrease in energy density of wastewater irrigated bermudagrass was associated with increased concentrations of K, Ca, and Na. After thermal conversion, these compounds are known to remain in the ash portion thereby decreasing the energy density. Nonetheless, the loss of energy density using treated effluent via SDI may be offset by the positive influence of these three elements for their catalytic properties in downstream thermal conversion processes such as promoting a lesser char yield and greater combustible gas formation.

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.

A density functional theory (DFT) and time-dependent density functional theory (TDDFT) study on optical transitions in oligo(p-phenylenevinylene)-fullerene dyads and the applicability to resonant energy transfer.

PubMed

Toivonen, Teemu L J; Hukka, Terttu I

2007-06-07

The optical transitions of three different size oligo(p-phenylenevinylene)-fullerene dyads (OPV(n)-MPC(60); n = 2-4) and of the corresponding separate molecules are studied using density functional theory (DFT) and time-dependent density functional theory. The DFT is used to determine the geometries and the electronic structures of the ground states. Transition energies and excited-state structures are obtained from the TDDFT calculations. Resonant energy transfer from OPV(n) to MPC(60) is also studied and the Fermi golden rule is used, along with two simple models to describe the electronic coupling to calculate the energy transfer rates. The hybrid-type PBE0 functional is used with a split-valence basis set augmented with a polarization function (SV(P)) in calculations and the calculated results are compared to the corresponding experimental results. The calculated PBE0 spectra of the OPV(n)-MPC(60) dyads correspond to the experimental spectra very well and are approximately sums of the absorption spectra of the separate OPV(n) and MPC(60) molecules. Also, the absorption energies of OPV(n) and MPC(60) and the emission energies of OPV(n) are predicted well with the PBE0 functional. The PBE0 calculated resonant energy transfer rates are in a good agreement with the experimental rates and show the existence of many possible pathways for energy transfer from the first excited singlet states of the OPV(n) molecules to the MPC(60) molecule.

Energy Density, Nutrient Adequacy, and Cost per Serving Can Provide Insight into Food Choices in the Lower Mississippi Delta

ERIC Educational Resources Information Center

Connell, Carol L.; Zoellner, Jamie M.; Yadrick, M. Kathleen; Chekuri, Srinivasa C.; Crook, Lashaundrea B.; Bogle, Margaret L.

2012-01-01

Objective: To compare differences across food groups for food cost, energy, and nutrient profiles of 100 items from a cross-sectional survey of 225 stores in 18 counties across the Lower Mississippi Delta of Arkansas, Louisiana, and Mississippi. Methods: Energy, nutrient, and cost profiles for food items were calculated by using Naturally Nutrient…

Nucleon localization and fragment formation in nuclear fission

DOE PAGES

Zhang, C. L.; Schuetrumpf, B.; Nazarewicz, W.

2016-12-27

An electron localization measure was originally introduced to characterize chemical bond structures in molecules. Recently, a nucleon localization based on Hartree-Fock densities has been introduced to investigate α-cluster structures in light nuclei. Compared to the local nucleonic densities, the nucleon localization function has been shown to be an excellent indicator of shell effects and cluster correlations. In this work, using the spatial nucleon localization measure, we investigated the emergence of fragments in fissioning heavy nuclei using the self-consistent energy density functional method with a quantified energy density functional optimized for fission studies. We studied the particle densities and spatial nucleonmore » localization distributions along the fission pathways of 264Fm, 232Th, and 240Pu. We demonstrated that the fission fragments were formed fairly early in the evolution, well before scission. To illustrate the usefulness of the localization measure, we showed how the hyperdeformed state of 232Th could be understood in terms of a quasimolecular state made of 132Sn and 100Zr fragments. Compared to nucleonic distributions, the nucleon localization function more effectively quantifies nucleonic clustering: its characteristic oscillating pattern, traced back to shell effects, is a clear fingerprint of cluster/fragment configurations. This is of particular interest for studies of fragment formation and fragment identification in fissioning nuclei.« less

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

Zhang, C. L.; Schuetrumpf, B.; Nazarewicz, W.

An electron localization measure was originally introduced to characterize chemical bond structures in molecules. Recently, a nucleon localization based on Hartree-Fock densities has been introduced to investigate α-cluster structures in light nuclei. Compared to the local nucleonic densities, the nucleon localization function has been shown to be an excellent indicator of shell effects and cluster correlations. In this work, using the spatial nucleon localization measure, we investigated the emergence of fragments in fissioning heavy nuclei using the self-consistent energy density functional method with a quantified energy density functional optimized for fission studies. We studied the particle densities and spatial nucleonmore » localization distributions along the fission pathways of 264Fm, 232Th, and 240Pu. We demonstrated that the fission fragments were formed fairly early in the evolution, well before scission. To illustrate the usefulness of the localization measure, we showed how the hyperdeformed state of 232Th could be understood in terms of a quasimolecular state made of 132Sn and 100Zr fragments. Compared to nucleonic distributions, the nucleon localization function more effectively quantifies nucleonic clustering: its characteristic oscillating pattern, traced back to shell effects, is a clear fingerprint of cluster/fragment configurations. This is of particular interest for studies of fragment formation and fragment identification in fissioning nuclei.« less

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.

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.

Energy and nutritional value of the meals in kindergartens in Nis (Serbia).

PubMed

Lazarevic, Konstansa; Stojanovic, Dusica; Bogdanović, Dragan

2014-01-01

It is well known that high-energy diet, rich in fat and carbohydrates, increases the risk of obesity. Preschool age is an important period to acquire the eating habits continued later in adulthood. Therefore, evaluation of child nutrition in kindergartens is especially important in the prevention of future obesity. To determine the energy value and energy density of meals consumed by children in kindergartens in Nis (Serbia), including the different types of food, in respect to a probable risk of obesity. The study had been conducted in the years 1998-2012. Three-hundred samples of the meals were gathered and analysed, and the amount of selected food groups used to prepare the meals in kindergartens was calculated (weight, protein, fat and carbohydrate content) in the accredited laboratory of the Public Health Institute in Nis according to the ISO 17025 recommendation. The mean energy value of meals was 978.9 kcal (range: 810 - 1144 kcal). The energy density was low (mean: 1.02 kcal/g, range: 0.92 - 1.42 kcal/g) and decreased over the years, what would imply a reduction in the risk of obesity. The intake of same high-energy food products, such as fats and oils as well as sweets (13.9% and 7.3%, respectively) was higher compared to low-energy foods (fruits - 5.2% and vegetables - 10.8%). The results of our study indicate that children in kindergarten in Nis, in general, were properly nourished in total energy content. The energy value and energy density of the meals consumed did not pose a risk of developing obesity. However, the distribution of food groups differentiated by the energy density level was unfavourable; the deficit of low-energy foods was observed. Planning the child nutrition in kindergartens, with laboratory control of meals, may be an effective strategy in adequate energy intake and prevention of obesity. Providing the higher amount of low-energy foods (fruits and vegetables) in meals in kindergartens is recommended.

Functional Carbon Materials for Electrochemical Energy Storage

NASA Astrophysics Data System (ADS)

Zhou, Huihui

The ability to harvest and convert solar energy has been associated with the evolution of human civilization. The increasing consumption of fossil fuels since the industrial revolution, however, has brought to concerns in ecological deterioration and depletion of the fossil fuels. Facing these challenges, humankind is forced to seek for clean, sustainable and renewable energy resources, such as biofuels, hydraulic power, wind power, geothermal energy and other kinds of alternative energies. However, most alternative energy sources, generally in the form of electrical energy, could not be made available on a continuous basis. It is, therefore, essential to store such energy into chemical energy, which are portable and various applications. In this context, electrochemical energy-storage devices hold great promises towards this goal. The most common electrochemical energy-storage devices are electrochemical capacitors (ECs, also called supercapacitors) and batteries. In comparison to batteries, ECs posses high power density, high efficiency, long cycling life and low cost. ECs commonly utilize carbon as both (symmetric) or one of the electrodes (asymmetric), of which their performance is generally limited by the capacitance of the carbon electrodes. Therefore, developing better carbon materials with high energy density has been emerging as one the most essential challenges in the field. The primary objective of this dissertation is to design and synthesize functional carbon materials with high energy density at both aqueous and organic electrolyte systems. The energy density (E) of ECs are governed by E = CV 2/2, where C is the total capacitance and V is the voltage of the devices. Carbon electrodes with high capacitance and high working voltage should lead to high energy density. In the first part of this thesis, a new class of nanoporous carbons were synthesized for symmetric supercapacitors using aqueous Li2SO4 as the electrolyte. A unique precursor was adopted to create uniformly distributed nanopores with large surface area, leading to high-performance electrodes with high capacitance, excellent rate performance and stable cycling, even under a high working voltage of 1.6V. The second part of this dissertation work further improved the capacitance of the carbon electrodes by fluorine doping. This doping process enhances the affinity of the carbon surface with organic electrolytes, leading to further improved capacitance and energy density. In the third part, carbon materials were synthesized with high surface area, capacitance and working voltage of 4V in organic electrolyte, leading to the construction of prototyped devices with energy density comparable to those of the current lead-acid batteries. Besides the abovementioned research, hierarchical graphitic carbons were also explored for lithium ion batteries and supercapacitors. Overall, through rational design of carbons with optimized pore configuration and surface chemistry, carbon electrodes with improved energy density and rate performance were improved significantly. Collectively, this thesis work systematically unveils simple yet effective strategies to achieve high performance carbon-based supercapacitors with high power density and high energy density, including the following aspects: 1) Constructed electrodes with high capacitance through building favorable ion/electron transportation pathways, tuning pore structure and pore size. 2) Improved the capacitance through enhancing the affinity between the carbon electrodes and electrolytes by doping the carbons with heteroatoms. 3) Explored and understand the roles of heteroatom doping in the capacitive behavior by both experimental measurement and computational modeling. 4) Improved energy density of carbon electrodes by enlarging their working voltage in aqueous and organic electrolyte. 5) Scalable and effective production of hierarchically porous graphite particles through aerosol process for use as the anode materials of lithium ion batteries. These strategies can be extended as a general design platform for other high-performance energy storage materials such as fuel cells and lithium-ion batteries.

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

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.

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

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.

Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN.

PubMed

Bao, Jie J; Gagliardi, Laura; Truhlar, Donald G

2017-11-15

Multiconfiguration pair-density functional theory (MC-PDFT) is a post multiconfiguration self-consistent field (MCSCF) method with similar performance to complete active space second-order perturbation theory (CASPT2) but with greater computational efficiency. Cyano radical (CN) is a molecule whose spectrum is well established from experiments and whose excitation energies have been used as a testing ground for theoretical methods to treat excited states of open-shell systems, which are harder and much less studied than excitation energies of closed-shell singlets. In the present work, we studied the adiabatic excitation energies of CN with MC-PDFT. Then we compared this multireference (MR) method to some single-reference (SR) methods, including time-dependent density functional theory (TDDFT) and completely renormalized equation-of-motion coupled-cluster theory with singles, doubles and noniterative triples [CR-EOM-CCSD(T)]; we also compared to some other MR methods, including configuration interaction singles and doubles (MR-CISD) and multistate CASPT2 (MS-CASPT2). Through a comparison between SR and MR methods, we achieved a better appreciation of the need to use MR methods to accurately describe higher excited states, and we found that among the MR methods, MC-PDFT stands out for its accuracy for the first four states out of the five doublet states studied this paper; this shows its efficiency for calculating doublet excited states.

Silicon-Based Lithium-Ion Capacitor for High Energy and High Power Application

NASA Technical Reports Server (NTRS)

Wu, James J.; Demattia, Brianne; Loyselle, Patricia; Reid, Concha; Kohout, Lisa

2017-01-01

Si-based Li-ion capacitor has been developed and demonstrated. The results show it is feasible to improve both power density and energy density in this configuration. The applied current density impacts the power and energy density: low current favors energy density while high current favors power density. Active carbon has a better rate capability than Si. Next StepsFuture Directions. Si electrode needs to be further studied and improved. Further optimization of SiAC ratio and evaluation of its impact on energy density and power density.

Relationships among Egg Size, Composition, and Energy: A Comparative Study of Geminate Sea Urchins

PubMed Central

McAlister, Justin S.; Moran, Amy L.

2012-01-01

Egg size is one of the fundamental parameters in the life histories of marine organisms. However, few studies have examined the relationships among egg size, composition, and energetic content in a phylogenetically controlled context. We investigated the associations among egg size, composition, and energy using a comparative system, geminate species formed by the closure of the Central American Seaway. We examined western Atlantic (WA) and eastern Pacific (EP) species in three echinoid genera, Echinometra, Eucidaris, and Diadema. In the genus with the largest difference in egg size between geminates (Echinometra), the eggs of WA species were larger, lipid rich and protein poor compared to the smaller eggs of their EP geminate. In addition, the larger WA eggs had significantly greater total egg energy and summed biochemical constituents yet significantly lower egg energy density (energy-per-unit-volume). However, the genera with smaller (Eucidaris) or no (Diadema) differences in egg size were not significantly different in summed biochemical constituents, total egg energy, or energy density. Theoretical models generally assume a strong tradeoff between egg size and fecundity that limits energetic investment and constrains life history evolution. We show that even among closely-related taxa, large eggs cannot be assumed to be scaled-up small eggs either in terms of energy or composition. Although our data comes exclusively from echinoid echinoderms, this pattern may be generalizable to other marine invertebrate taxa. Because egg composition and egg size do not necessarily evolve in lockstep, selective factors such as sperm limitation could act on egg volume without necessarily affecting maternal or larval energetics. PMID:22911821

Feasibility of generating quantitative composition images in dual energy mammography: a simulation study

NASA Astrophysics Data System (ADS)

Lee, Donghoon; Kim, Ye-seul; Choi, Sunghoon; Lee, Haenghwa; Choi, Seungyeon; Kim, Hee-Joung

2016-03-01

Breast cancer is one of the most common malignancies in women. For years, mammography has been used as the gold standard for localizing breast cancer, despite its limitation in determining cancer composition. Therefore, the purpose of this simulation study is to confirm the feasibility of obtaining tumor composition using dual energy digital mammography. To generate X-ray sources for dual energy mammography, 26 kVp and 39 kVp voltages were generated for low and high energy beams, respectively. Additionally, the energy subtraction and inverse mapping functions were applied to provide compositional images. The resultant images showed that the breast composition obtained by the inverse mapping function with cubic fitting achieved the highest accuracy and least noise. Furthermore, breast density analysis with cubic fitting showed less than 10% error compare to true values. In conclusion, this study demonstrated the feasibility of creating individual compositional images and capability of analyzing breast density effectively.

Battery materials for ultrafast charging and discharging.

PubMed

Kang, Byoungwoo; Ceder, Gerbrand

2009-03-12

The storage of electrical energy at high charge and discharge rate is an important technology in today's society, and can enable hybrid and plug-in hybrid electric vehicles and provide back-up for wind and solar energy. It is typically believed that in electrochemical systems very high power rates can only be achieved with supercapacitors, which trade high power for low energy density as they only store energy by surface adsorption reactions of charged species on an electrode material. Here we show that batteries which obtain high energy density by storing charge in the bulk of a material can also achieve ultrahigh discharge rates, comparable to those of supercapacitors. We realize this in LiFePO(4) (ref. 6), a material with high lithium bulk mobility, by creating a fast ion-conducting surface phase through controlled off-stoichiometry. A rate capability equivalent to full battery discharge in 10-20 s can be achieved.

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

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

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

DOE PAGES

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.; ...

2014-09-27

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Experimental differential cross sections, level densities, and spin cutoffs as a testing ground for nuclear reaction codes

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

Voinov, Alexander V.; Grimes, Steven M.; Brune, Carl R.

Proton double-differential cross sections from 59Co(α,p) 62Ni, 57Fe(α,p) 60Co, 56Fe( 7Li,p) 62Ni, and 55Mn( 6Li,p) 60Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys. 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for 62Ni and 60Co above the excitation energy range of discrete levels (in continuum) have been obtainedmore » with a Monte Carlo technique. Furthermore, excitation energy dependencies were found to be inconsistent with the Fermi-gas model.« less

The vibrational spectroscopic studies and molecular property analysis of L-Phenylalanine using quantum chemical method

NASA Astrophysics Data System (ADS)

Borah, Mukunda Madhab; Devi, Th. Gomti

2017-05-01

In the present work, L-phenylalanine is studied using the experimental and theoretical methods. The spectral characterization of the molecule has been done using Raman, FTIR, Hartee-Fock(HF), density functional theory (DFT) and vibrational energy distribution analysis (VEDA) calculation. The optimization of the molecule has been studied using basis set HF/6-31G(d,p) and B3LYP/6-31G(d,p) for Hartree Fock and density functional theory calculation. The complete vibrational assignment of the molecule in monomer and dimer states have been attempted. The potential energy distribution and normal mode analysis are also carried out to determine the contributions of bond oscillators in each normal mode. The molecular geometry, HOMO-LUMO energy gap, molecular hardness (η), ionization energy (IE), electron affinity (EA), total energy and dipole moment were determined from the calculated data. The observed experimental and the scaled theoretical results are compared and found to be in good agreement. The vibrational assignment of molecule in different dimer states has also been done using SERS data and better correlated Raman peaks are observed as compare to normal Raman technique.

SU-F-J-213: Feasibility Study of Using a Dual-Energy Cone Beam CT (DECBCT) in Proton Therapy Treatment Planning

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

Peng, H; Xing, L; Kanehira, T

2016-06-15

Purpose: The aim of this study is to evaluate the feasibility of using a dual-energy CBCT (DECBCT) in proton therapy treatment planning to allow for accurate electron density estimation. Methods: For direct comparison, two scenarios were selected: a dual-energy fan-beam CT (high: 140 kVp, low: 80 kVp) and a DECBCT (high: 125 kVp, low: 80 kVp). A Gammex 467 tissue characterization phantom was used, including the rods of air, water, bone (B2–30% mineral), cortical bone (SB3), lung (LN-300), brain, liver and adipose. For the CBCT, Hounsfield Unit (HU) numbers were first obtained from the reconstructed images after a calibration wasmore » made based on water (=0) and air materials (=−1000). For each tissue surrogate, region-of-interest (ROI) analyses were made to derive high-energy and low-energy HU values (HUhigh and HUlow), which were subsequently used to estimate electron density based on the algorithm as previously described by Hunemohr N., et al. Parameters k1 and k2 are energy dependent and can be derived from calibration materials. Results: While for the dual-energy FBCT, the electron density is found be within +/−3% error relative to the values provided by the phantom vendor: −1.8% (water), 0.03% (lung), 1.1% (brain), −2.82% (adipose), −0.49% (liver) and −1.89% (cortical bones). While for the DECBCT, the estimation of electron density exhibits a relatively larger variation: −1.76% (water), −36.7% (lung), −1.92% (brain), −3.43% (adipose), 8.1% (liver) and 9.5% (cortical bones). Conclusion: For DECBCT, the accuracy of electron density estimation is inferior to that of a FBCT, especially for materials of either low-density (lung) or high density (cortical bone) compared to water. Such limitation arises from inaccurate HU number derivation in a CBCT. Advanced scatter-correction and HU calibration routines, as well as the deployment of photon counting CT detectors need be investigated to minimize the difference between FBCT and CBCT.« less

Nonaqueous lithium-ion capacitors with high energy densities using trigol-reduced graphene oxide nanosheets as cathode-active material.

PubMed

Aravindan, Vanchiappan; Mhamane, Dattakumar; Ling, Wong Chui; Ogale, Satishchandra; Madhavi, Srinivasan

2013-12-01

One HEC of a material: The use of trigol-reduced graphene oxide nanosheets as cathode material in hybrid lithium-ion electrochemical capacitors (Li-HECs) results in an energy density of 45 Wh kg(-1) ; much enhanced when compared to similar devices. The mass loading of the active materials is optimized, and the devices show good cycling performance. Li-HECs employing these materials outperform other supercapacitors, making them attractive for use in power sources. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Test of level density models from reactions of Li6 on Fe58 and Li7 on Fe57

NASA Astrophysics Data System (ADS)

Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D. E.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J. E.; Schiller, A.

2009-09-01

The reactions of Li6 on Fe58 and Li7 on Fe57 have been studied at 15 MeV beam energy. These two reactions produce the same compound nucleus, Cu64. The charged particle spectra were measured at backward angles. The data obtained have been compared with Hauser-Feshbach model calculations. The level density parameters of Ni63 and Co60 have been obtained from the particle evaporation spectra. We also find contributions from the break up of the lithium projectiles to the low energy region of the α spectra.

Electronic structure and normal vibrations of the 1-ethyl-3-methylimidazolium ethyl sulfate ion pair.

PubMed

Dhumal, Nilesh R; Kim, Hyung J; Kiefer, Johannes

2011-04-21

Electronic and structural properties of the ion pair 1-ethyl-3-methylimidazolium ethyl sulfate are studied using density functional methods. Three locally stable conformers of the ion pair complex are considered to analyze molecular interactions between its cation and anion. Manifestations of these interactions in the vibrational spectra are discussed and compared with experimental IR and Raman spectroscopy data. NBO analysis and difference electron density coupled with molecular electron density topography are used to interpret the frequency shifts of the normal vibrations of the ion pair, compared to the free anion and cation. Excitation energies of low-lying singlet excited states of the conformers are also studied. The density functional theory results are found to be in a reasonable agreement with experimental UV/vis absorption spectra.

Bone Mineral Density in Boys Diagnosed with Autism Spectrum Disorder: A Case-Control Study

ERIC Educational Resources Information Center

Barnhill, Kelly; Ramirez, Lucas; Gutierrez, Alan; Richardson, Wendy; Marti, C. Nathan; Potts, Amy; Shearer, Rebeca; Schutte, Claire; Hewitson, Laura

2017-01-01

This study compared bone mineral density (BMD) of the spine obtained by dual-energy X-ray absorptiometry (DEXA), nutritional status, biochemical markers, and gastrointestinal (GI) symptoms in 4-8 year old boys with Autism Spectrum Disorder (ASD) with a group of age-matched, healthy boys without ASD. Boys with ASD had significantly lower spine BMD…

Experimental results of use of triple-energy X-ray beam with K-edge filter in multi-energy imaging

NASA Astrophysics Data System (ADS)

Kim, D.; Lee, S.; Jeon, P.-H.

2016-04-01

Multi-energy imaging is useful for contrast enhancement of lesions, quantitative analysis of specific materials and material separation in the human body. Generally, dual-energy methods are applied to discriminating two materials, but this method cannot discriminate more than two materials. Photon-counting detectors provide spectral information from polyenergetic X-rays using multiple energy bins. In this work, we developed triple-energy X-ray beams using a filter with K-edge energy and applied them experimentally. The energy spectra of triple-energy X-ray beams were assessed by using a spectrometer. The designed triple-energy X-ray beams were validated by measuring quantitative evaluations with mean energy ratio (MER), contrast variation ratio (CVR) and exposure efficiency (EE). Then, triple-energy X-ray beams were used to extract density map of three materials, iodine (I), aluminum (Al) and polymethyl methacrylate (PMMA). The results of the thickness density maps obtained with the developed triple-energy X-ray beams were compared to those acquired using the photon-counting method. As a result, it was found experimentally that the proposed triple-energy X-ray beam technique can separate the three materials as well as the photon-counting method.

Molecular structure and interactions in the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide.

PubMed

Dhumal, Nilesh R; Noack, Kristina; Kiefer, Johannes; Kim, Hyung J

2014-04-03

Electronic structure theory (density functional and Møller-Plesset perturbation theory) and vibrational spectroscopy (FT-IR and Raman) are employed to study molecular interactions in the room-temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. Different conformers of a cation-anion pair based on their molecular interactions are simulated in the gas phase and in a dielectric continuum solvent environment. Although the ordering of conformers in energy varies with theoretical methods, their predictions for three lowest energy conformers in the gas phase are similar. Strong C-H---N interactions between the acidic hydrogen atom of the cation imidazole ring and the nitrogen atom of the anion are predicted for either the lowest or second lowest energy conformer. In a continuum solvent, different theoretical methods yield the same ion-pair conformation for the lowest energy state. In both phases, the density functional method predicts that the anion is in a trans conformation in the lowest energy ion pair state. The theoretical results are compared with experimental observations from Raman scattering and IR absorption spectroscopies and manifestations of the molecular interactions in the vibrational spectra are discussed. The directions of the frequency shifts of the characteristic vibrations relative to the free anion and cation are explained by calculating the difference electron density coupled with electron density topography.

Proton acceleration by multi-terawatt interaction with a near-critical density hydrogen jet

NASA Astrophysics Data System (ADS)

Goers, Andy; Feder, Linus; Hine, George; Salehi, Fatholah; Woodbury, Daniel; Su, J. J.; Papadopoulos, Dennis; Zigler, Arie; Milchberg, Howard

2016-10-01

We investigate the high intensity laser interaction with thin, near critical density plasmas as a means of efficient acceleration of MeV protons. A promising mechanism is magnetic vortex acceleration, where the ponderomotive force of a tightly focused laser pulse drives a relativistic electron current which generates a strong azimuthal magnetic field. The rapid expansion of this azimuthal magnetic field at the back side of the target can accelerate plasma ions to MeV scale energies. Compared to typical ion acceleration experiments utilizing a laser- thin solid foil interaction, magnetic vortex acceleration in near critical density plasma may be realized in a high density gas jet, making it attractive for applications requiring high repetition rates. We present preliminary experiments studying laser-plasma interaction and proton acceleration in a thin (< 200 μm) near-critical density hydrogen gas jet delivering electron densities 1020 -1021 cm-3 . This research was funded by the United States Department of Energy and the Defense Advanced Research Projects Agency (DARPA) under Contract Number W911-NF-15-C-0217, issued by the Army Research Office.

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

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.

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

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.

Bacillus spores as building blocks for stimuli-responsive materials and nanogenerators

NASA Astrophysics Data System (ADS)

Sahin, Ozgur; Chen, Xi

2014-03-01

Materials that mechanically respond to external chemical stimuli have applications in a wide range of fields. Inspired by biological systems, stimuli-responsive materials that can oscillate, transport fluid, mimic homeostasis, and undergo complex changes in shape have been previously demonstrated. However, the effectiveness of synthetic stimuli-responsive materials in generating work is limited when compared to mechanical actuators. During studies of bacterial sporulation, we have found that the mechanical response of Bacillus spores to water gradients exhibits an energy density of more than 10 MJ/m3, which is two orders of magnitude higher than synthetic water-responsive materials. We also identified mutations that can approximately double the energy density of the spores, and found that spores can self-assemble into dense, submicron-thick monolayers on substrates such as silicon microcantilevers and elastomer sheets, creating self-assembled actuators that can remotely generate electrical power from an evaporating body of water. The energy conversion mechanism of Bacillus spores may facilitate synthetic stimuli-responsive materials with significantly higher energy densities. We acknowledge support from the U.S. Dept. of Energy Early Career Research Program, the Wyss Institute for Biologically Inspired Engineering, and the Rowland Institute at Harvard.

Nanostructured mesoporous materials for lithium-ion battery applications

NASA Astrophysics Data System (ADS)

Balaya, P.; Saravanan, K.; Hariharan, S.; Ramar, V.; Lee, H. S.; Kuezma, M.; Devaraj, S.; Nagaraju, D. H.; Ananthanarayanan, K.; Mason, C. W.

2011-06-01

The Energy crisis happens to be one of the greatest challenges we are facing today. In this view, much effort has been made in developing new, cost effective, environmentally friendly energy conversion and storage devices. The performance of such devices is fundamentally related to material properties. Hence, innovative materials engineering is important in solving the energy crisis problem. One such innovation in materials engineering is porous materials for energy storage. Porous electrode materials for lithium-ion batteries (LIBs) offer a high degree of electrolyte-electrode wettability, thus enhancing the electrochemical activity within the material. Among the porous materials, mesoporous materials draw special attention, owing to shorter diffusion lengths for Li+ and electronic movement. Nanostructured mesoporous materials also offer better packing density compared to their nanostructured counterparts such as nanopowders, nanowires, nanotubes etc., thus opening a window for developing electrode materials with high volumetric energy densities. This would directly translate into a scenario of building batteries which are much lighter than today's commercial LIBs. In this article, the authors present a simple, soft template approach for preparing both cathode and anode materials with high packing density for LIBs. The impact of porosity on the electrochemical storage performance is highlighted.

A Thin Film Flexible Supercapacitor Based on Oblique Angle Deposited Ni/NiO Nanowire Arrays.

PubMed

Ma, Jing; Liu, Wen; Zhang, Shuyuan; Ma, Zhe; Song, Peishuai; Yang, Fuhua; Wang, Xiaodong

2018-06-11

With high power density, fast charging-discharging speed, and a long cycling life, supercapacitors are a kind of highly developed novel energy-storage device that has shown a growing performance and various unconventional shapes such as flexible, linear-type, stretchable, self-healing, etc. Here, we proposed a rational design of thin film, flexible micro-supercapacitors with in-plane interdigital electrodes, where the electrodes were fabricated using the oblique angle deposition technique to grow oblique Ni/NiO nanowire arrays directly on polyimide film. The obtained electrodes have a high specific surface area and good adhesion to the substrate compared with other in-plane micro-supercapacitors. Meanwhile, the as-fabricated micro-supercapacitors have good flexibility and satisfactory energy-storage performance, exhibiting a high specific capacity of 37.1 F/cm³, a high energy density of 5.14 mWh/cm³, a power density of up to 0.5 W/cm³, and good stability during charge-discharge cycles and repeated bending-recovery cycles, respectively. Our micro-supercapacitors can be used as ingenious energy storage devices for future portable and wearable electronic applications.

Molecular dynamics calculation on structures, stabilities, mechanical properties, and energy density of CL-20/FOX-7 cocrystal explosives.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

2017-11-30

In this article, different CL-20/FOX-7 cocrystal models were established by the substitution method based on the molar ratios of CL-20:FOX-7. The structures and comprehensive properties, including mechanical properties, stabilities, and energy density, of different cocrystal models were obtained and compared with each other. The main aim was to estimate the influence of molar ratios on properties of cocrystal explosives. The molecular dynamics (MD) simulation results show that the cocrystal model with molar ratio 1:1 has the best mechanical properties and highest binding energy, so the CL-20/FOX-7 cocrystal model is more likely to form in 1:1 M ratio. The detonation parameters show that the cocrystal explosive exhibited preferable energy density and excellent detonation performance. In a word, the 1:1 cocrystal model has the best comprehensive properties, is very promising, and worth more theoretical investigations and experimental tests. This paper gives some original theories to better understand the cocrystal mechanism and provides some helpful guidance and useful instructions to help design CL-20 cocrystal explosives.

Proximate analysis, in vitro organic matter digestibility, and energy content of common guava (Psidium guajava L.) and yellow, strawberry guava (Psidium cattleianum Var. lucidum) tree parts and fruits as potential forage.

PubMed

Adrian, Julie Ann Luiz; Arancon, Norman Q; Mathews, Bruce W; Carpenter, James R

2012-10-24

The nutrient composition of common guava, Psidium guajava L., and strawberry guava (waiwi), Psidium cattleianum var. lucidum, tree parts and fruits was determined during three seasons for six locations in Hawaii to assess guava as a potential feed for cattle. All guava plant parts were higher (p < 0.001) in crude protein than waiwi, but there were no differences in the fiber and energy densities for bark, shoots, and branches. Guava leaves were higher in fiber and had lower energy densities (p < 0.05) than waiwi. Ripe and breaker stage fruits were lower (p < 0.05) in fiber, similar in protein (CP), and higher (p < 0.05) in energy density than immature fruits. Guava fruits were higher in CP (p < 0.05) and organic matter (p < 0.001) and lower in ash (p < 0.001) than waiwi fruits. The primary nutritional concern with guava is low in vitro organic matter digestibility as compared to tropical forage grasses; therefore, it is not recommended as a feedstock for livestock.

The Mechanical Properties of Energetically Deposited Non-Crystalline Carbon Thin Films

DOE PAGES

Kracica, M.; Kocer, C.; Lau, D.; ...

2015-11-05

The mechanical behaviour of carbon films prepared with a variety of densities and microstructures was investigated using nanoindentation. Deposition energies between 25 and 600 eV and temperatures in the range 25-600 °C were used. Films prepared at low temperatures and moderate energy were amorphous with a high density. Finite element methods were used to model the stress fields, reproduce the indentation behaviour and evaluate elastic properties. Young s moduli up to 670 GPa and a low Poisson s ratio of ~ 0.17 were found, comparable to polycrystalline cubic boron nitride, one of the hardest materials known. Films with the samemore » density did not always show the same behaviour, emphasising the role of microstructure in determining mechanical response. Extended graphite- like regions within the films grown at high energy and high temperature observed in transmission electron microscopy caused plastic deformation and failure to recover after a complete indentation cycle. At low deposition energies, the graphite-like regions were smaller in size causing plastic deformation but with complete recovery after indentation.« less

A Membrane-Free Ferrocene-Based High-Rate Semiliquid Battery.

PubMed

Ding, Yu; Zhao, Yu; Yu, Guihua

2015-06-10

We report here a ferrocene-based membrane-free, high-rate semiliquid battery that takes advantage of a highly soluble ferrocene/ferrocenium redox couple in nonaqueous phase. The designed battery exhibits stable capacity retention up to 94% of theoretical capacity of ferrocene (145 mAh g(-1)) at a broad current rate up to 60 C owing to rapid mass transport in a liquid phase and fast redox kinetics. The diffusion coefficient and the standard reaction constant are determined to be in the order of 10(-6) cm(2) s(-1) and 10(-1) cm s(-1), respectively, orders of magnitude greater than those in a solid-phase electrode and those in conventional redox flow batteries. Additionally, the battery demonstrates power density and energy density exceeding 1400 W L(-1) and 40 Wh L(-1), respectively, and stable cyclability with capacity retention of ∼80% for 500 cycles. Compared with state-of-the-art energy storage technologies such as Li-ion batteries or conventional redox flow batteries, the proposed liquid battery shows the potential to be an efficient energy storage system with exceptionally high power and reasonable energy density.

Improved Performance of Ionic Liquid Supercapacitors by using Tetracyanoborate Anions

PubMed Central

Martins, Vitor L.; Rennie, Anthony J. R.; Sanchez‐Ramirez, Nedher; Torresi, Roberto M.; Hall, Peter J.

2018-01-01

Abstract Supercapacitors are energy storage devices designed to operate at higher power densities than conventional batteries, but their energy density is still too low for many applications. Efforts are made to design new electrolytes with wider electrochemical windows than aqueous or conventional organic electrolytes in order to increase energy density. Ionic liquids (ILs) with wide electrochemical stability windows are excellent candidates to be employed as supercapacitor electrolytes. ILs containing tetracyanoborate anions [B(CN)4] offer wider electrochemical stability than conventional electrolytes and maintain a high ionic conductivity (6.9 mS cm−1). Herein, we report the use of ILs containing the [B(CN)4] anion for such an application. They presented a high maximum operating voltage of 3.7 V, and two‐electrode devices demonstrate high specific capacitances even when operating at relatively high rates (ca. 20 F g−1 @ 15 A g−1). This supercapacitor stored more energy and operated at a higher power at all rates studied when compared with cells using a commonly studied ILs. PMID:29577008

A first search for coincident gravitational waves and high energy neutrinos using LIGO, Virgo and ANTARES data from 2007

NASA Astrophysics Data System (ADS)

Adrián-Martínez, S.; Samarai, I. Al; Albert, A.; André, M.; Anghinolfi, M.; Anton, G.; Anvar, S.; Ardid, M.; Astraatmadja, T.; Aubert, J.-J.; Baret, B.; Basa, S.; Bertin, V.; Biagi, S.; Bigongiari, C.; Bogazzi, C.; Bou-Cabo, M.; Bouhou, B.; Bouwhuis, M. C.; Brunner, J.; Busto, J.; Capone, A.; Cârloganu, C.; Carr, J.; Cecchini, S.; Charif, Z.; Charvis, Ph.; Chiarusi, T.; Circella, M.; Coniglione, R.; Core, L.; Costantini, H.; Coyle, P.; Creusot, A.; Curtil, C.; De Bonis, G.; Decowski, M. P.; Dekeyser, I.; Deschamps, A.; Distefano, C.; Donzaud, C.; Dornic, D.; Dorosti, Q.; Drouhin, D.; Eberl, T.; Emanuele, U.; Enzenhöfer, A.; Ernenwein, J.-P.; Escoffier, S.; Fehn, K.; Fermani, P.; Ferri, M.; Ferry, S.; Flaminio, V.; Folger, F.; Fritsch, U.; Fuda, J.-L.; Galatà, S.; Gay, P.; Geyer, K.; Giacomelli, G.; Giordano, V.; Gómez-González, J. P.; Graf, K.; Guillard, G.; Hallewell, G.; Hamal, M.; van Haren, H.; Heijboer, A. J.; Hello, Y.; Hernández-Rey, J. J.; Herold, B.; Hößl, J.; Hsu, C. C.; de Jong, M.; Kadler, M.; Kalekin, O.; Kappes, A.; Katz, U.; Kavatsyuk, O.; Kooijman, P.; Kopper, C.; Kouchner, A.; Kreykenbohm, I.; Kulikovskiy, V.; Lahmann, R.; Lambard, G.; Larosa, G.; Lattuada, D.; Lefèvre, D.; Lim, G.; Lo Presti, D.; Loehner, H.; Loucatos, S.; Louis, F.; Mangano, S.; Marcelin, M.; Margiotta, A.; Martínez-Mora, J. A.; Martini, S.; Meli, A.; Montaruli, T.; Morganti, M.; Moscoso, L.; Motz, H.; Neff, M.; Nezri, E.; Palioselitis, D.; Păvălaş, G. E.; Payet, K.; Petrovic, J.; Piattelli, P.; Popa, V.; Pradier, T.; Presani, E.; Racca, C.; Reed, C.; Riccobene, G.; Richardt, C.; Richter, R.; Rivière, C.; Robert, A.; Roensch, K.; Rostovtsev, A.; Ruiz-Rivas, J.; Rujoiu, M.; Russo, G. V.; Samtleben, D. F. E.; Sánchez-Losa, A.; Sapienza, P.; Schmid, J.; Schnabel, J.; Schöck, F.; Schuller, J.-P.; Schüssler, F.; Seitz, T.; Shanidze, R.; Simeone, F.; Spies, A.; Spurio, M.; Steijger, J. J. M.; Stolarczyk, Th.; Taiuti, M.; Tamburini, C.; Trovato, A.; Vallage, B.; Vallée, C.; Van Elewyck, V.; Vecchi, M.; Vernin, P.; Visser, E.; Wagner, S.; Wijnker, G.; Wilms, J.; de Wolf, E.; Yepes, H.; Zaborov, D.; Zornoza, J. D.; Zúñiga, J.; Aasi, J.; Abadie, J.; Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M.; Accadia, T.; Acernese, F.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Ajith, P.; Allen, B.; Allocca, A.; Amador Ceron, E.; Amariutei, D.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Araya, M. C.; Ast, S.; Aston, S. M.; Astone, P.; Atkinson, D.; Aufmuth, P.; Aulbert, C.; Aylott, B. E.; Babak, S.; Baker, P.; Ballardin, G.; Ballmer, S.; Bao, Y.; Barayoga, J. C. B.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barton, M. A.; Bartos, I.; Bassiri, R.; Bastarrika, M.; Basti, A.; Batch, J.; Bauchrowitz, J.; Bauer, Th. S.; Bebronne, M.; Beck, D.; Behnke, B.; Bejger, M.; Beker, M. G.; Bell, A. S.; Bell, C.; Belopolski, I.; Benacquista, M.; Berliner, J. M.; Bertolini, A.; Betzwieser, J.; Beveridge, N.; Beyersdorf, P. T.; Bhadbade, T.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Biswas, R.; Bitossi, M.; Bizouard, M. A.; Black, E.; Blackburn, J. K.; Blackburn, L.; Blair, D.; Bland, B.; Blom, M.; Bock, O.; Bodiya, T. P.; Bogan, C.; Bond, C.; Bondarescu, R.; Bondu, F.; Bonelli, L.; Bonnand, R.; Bork, R.; Born, M.; Boschi, V.; Bose, S.; Bosi, L.; Braccini, S.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Breyer, J.; Briant, T.; Bridges, D. O.; Brillet, A.; Brinkmann, M.; Brisson, V.; Britzger, M.; Brooks, A. F.; Brown, D. A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Burguet–Castell, J.; Buskulic, D.; Buy, C.; Byer, R. L.; Cadonati, L.; Cagnoli, G.; Calloni, E.; Camp, J. B.; Campsie, P.; Cannon, K.; Canuel, B.; Cao, J.; Capano, C. D.; Carbognani, F.; Carbone, L.; Caride, S.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C.; Cesarini, E.; Chalermsongsak, T.; Charlton, P.; Chassande-Mottin, E.; Chen, W.; Chen, X.; Chen, Y.; Chincarini, A.; Chiummo, A.; Cho, H. S.; Chow, J.; Christensen, N.; Chua, S. S. Y.; Chung, C. T. Y.; Chung, S.; Ciani, G.; Clara, F.; Clark, D. E.; Clark, J. A.; Clayton, J. H.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colacino, C. N.; Colla, A.; Colombini, M.; Conte, A.; Conte, R.; Cook, D.; Corbitt, T. R.; Cordier, M.; Cornish, N.; Corsi, A.; Costa, C. A.; Coughlin, M.; Coulon, J.-P.; Couvares, P.; Coward, D. M.; Cowart, M.; Coyne, D. C.; Creighton, J. D. E.; Creighton, T. D.; Cruise, A. M.; Cumming, A.; Cunningham, L.; Cuoco, E.; Cutler, R. M.; Dahl, K.; Damjanic, M.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Dattilo, V.; Daudert, B.; Daveloza, H.; Davier, M.; Daw, E. J.; Day, R.; Dayanga, T.; De Rosa, R.; DeBra, D.; Debreczeni, G.; Degallaix, J.; Del Pozzo, W.; Dent, T.; Dergachev, V.; DeRosa, R.; Dhurandhar, S.; Di Fiore, L.; Di Lieto, A.; Di Palma, I.; Emilio, M. Di Paolo; Di Virgilio, A.; Díaz, M.; Dietz, A.; Donovan, F.; Dooley, K. L.; Doravari, S.; Dorsher, S.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Du, Z.; Dumas, J.-C.; Dwyer, S.; Eberle, T.; Edgar, M.; Edwards, M.; Effler, A.; Ehrens, P.; Endrőczi, G.; Engel, R.; Etzel, T.; Evans, K.; Evans, M.; Evans, T.; Factourovich, M.; Fafone, V.; Fairhurst, S.; Farr, B. F.; Favata, M.; Fazi, D.; Fehrmann, H.; Feldbaum, D.; Ferrante, I.; Ferrini, F.; Fidecaro, F.; Finn, L. S.; Fiori, I.; Fisher, R. P.; Flaminio, R.; Foley, S.; Forsi, E.; Forte, L. A.; Fotopoulos, N.; Fournier, J.-D.; Franc, J.; Franco, S.; Frasca, S.; Frasconi, F.; Frede, M.; Frei, M. A.; Frei, Z.; Freise, A.; Frey, R.; Fricke, T. T.; Friedrich, D.; Fritschel, P.; Frolov, V. V.; Fujimoto, M.-K.; Fulda, P. J.; Fyffe, M.; Gair, J.; Galimberti, M.; Gammaitoni, L.; Garcia, J.; Garufi, F.; Gáspár, M. E.; Gelencser, G.; Gemme, G.; Genin, E.; Gennai, A.; Gergely, L. Á.; Ghosh, S.; Giaime, J. A.; Giampanis, S.; Giardina, K. D.; Giazotto, A.; Gil-Casanova, S.; Gill, C.; Gleason, J.; Goetz, E.; González, G.; Gorodetsky, M. L.; Goßler, S.; Gouaty, R.; Graef, C.; Graff, P. B.; Granata, M.; Grant, A.; Gray, C.; Greenhalgh, R. J. S.; Gretarsson, A. M.; Griffo, C.; Grote, H.; Grover, K.; Grunewald, S.; Guidi, G. M.; Guido, C.; Gupta, R.; Gustafson, E. K.; Gustafson, R.; Hallam, J. M.; Hammer, D.; Hammond, G.; Hanks, J.; Hanna, C.; Hanson, J.; Harms, J.; Harry, G. M.; Harry, I. W.; Harstad, E. D.; Hartman, M. T.; Haughian, K.; Hayama, K.; Hayau, J.-F.; Heefner, J.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M. A.; Heng, I. S.; Heptonstall, A. W.; Herrera, V.; Heurs, M.; Hewitson, M.; Hild, S.; Hoak, D.; Hodge, K. A.; Holt, K.; Holtrop, M.; Hong, T.; Hooper, S.; Hough, J.; Howell, E. J.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh-Dinh, T.; Ingram, D. R.; Inta, R.; Isogai, T.; Ivanov, A.; Izumi, K.; Jacobson, M.; James, E.; Jang, Y. J.; Jaranowski, P.; Jesse, E.; Johnson, W. W.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; Kalmus, P.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Kasprzack, M.; Kasturi, R.; Katsavounidis, E.; Katzman, W.; Kaufer, H.; Kaufman, K.; Kawabe, K.; Kawamura, S.; Kawazoe, F.; Keitel, D.; Kelley, D.; Kells, W.; Keppel, D. G.; Keresztes, Z.; Khalaidovski, A.; Khalili, F. Y.; Khazanov, E. A.; Kim, B. K.; Kim, C.; Kim, H.; Kim, K.; Kim, N.; Kim, Y. M.; King, P. J.; Kinzel, D. L.; Kissel, J. S.; Klimenko, S.; Kline, J.; Kokeyama, K.; Kondrashov, V.; Koranda, S.; Korth, W. Z.; Kowalska, I.; Kozak, D.; Kringel, V.; Krishnan, B.; Królak, A.; Kuehn, G.; Kumar, P.; Kumar, R.; Kurdyumov, R.; Kwee, P.; Lam, P. K.; Landry, M.; Langley, A.; Lantz, B.; Lastzka, N.; Lawrie, C.; Lazzarini, A.; Le Roux, A.; Leaci, P.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Leong, J. R.; Leonor, I.; Leroy, N.; Letendre, N.; Lhuillier, V.; Li, J.; Li, T. G. F.; Lindquist, P. E.; Litvine, V.; Liu, Y.; Liu, Z.; Lockerbie, N. A.; Lodhia, D.; Logue, J.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J.; Lubinski, M.; Lück, H.; Lundgren, A. P.; Macarthur, J.; Macdonald, E.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Mageswaran, M.; Mailand, K.; Majorana, E.; Maksimovic, I.; Malvezzi, V.; Man, N.; Mandel, I.; Mandic, V.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A.; Maros, E.; Marque, J.; Martelli, F.; Martin, I. W.; Martin, R. M.; Marx, J. N.; Mason, K.; Masserot, A.; Matichard, F.; Matone, L.; Matzner, R. A.; Mavalvala, N.; Mazzolo, G.; McCarthy, R.; McClelland, D. E.; McGuire, S. C.; McIntyre, G.; McIver, J.; Meadors, G. D.; Mehmet, M.; Meier, T.; Melatos, A.; Melissinos, A. C.; Mendell, G.; Menéndez, D. F.; Mercer, R. A.; Meshkov, S.; Messenger, C.; Meyer, M. S.; Miao, H.; Michel, C.; Milano, L.; Miller, J.; Minenkov, Y.; Mingarelli, C. M. F.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moe, B.; Mohan, M.; Mohapatra, S. R. P.; Moraru, D.; Moreno, G.; Morgado, N.; Morgia, A.; Mori, T.; Morriss, S. R.; Mosca, S.; Mossavi, K.; Mours, B.; Mow–Lowry, C. M.; Mueller, C. L.; Mueller, G.; Mukherjee, S.; Mullavey, A.; Müller-Ebhardt, H.; Munch, J.; Murphy, D.; Murray, P. G.; Mytidis, A.; Nash, T.; Naticchioni, L.; Necula, V.; Nelson, J.; Neri, I.; Newton, G.; Nguyen, T.; Nishizawa, A.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E.; Nuttall, L.; Ochsner, E.; O'Dell, J.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; Oldenberg, R. G.; O'Reilly, B.; O'Shaughnessy, R.; Osthelder, C.; Ott, C. D.; Ottaway, D. J.; Ottens, R. S.; Overmier, H.; Owen, B. J.; Page, A.; Palladino, L.; Palomba, C.; Pan, Y.; Pankow, C.; Paoletti, F.; Paoletti, R.; Papa, M. A.; Parisi, M.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Pedraza, M.; Penn, S.; Perreca, A.; Persichetti, G.; Phelps, M.; Pichot, M.; Pickenpack, M.; Piergiovanni, F.; Pierro, V.; Pihlaja, M.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Pletsch, H. J.; Plissi, M. V.; Poggiani, R.; Pöld, J.; Postiglione, F.; Poux, C.; Prato, M.; Predoi, V.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Principe, M.; Privitera, S.; Prix, R.; Prodi, G. A.; Prokhorov, L. G.; Puncken, O.; Punturo, M.; Puppo, P.; Quetschke, V.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Rácz, I.; Radkins, H.; Raffai, P.; Rakhmanov, M.; Ramet, C.; Rankins, B.; Rapagnani, P.; Raymond, V.; Re, V.; Reed, C. M.; Reed, T.; Regimbau, T.; Reid, S.; Reitze, D. H.; Ricci, F.; Riesen, R.; Riles, K.; Roberts, M.; Robertson, N. A.; Robinet, F.; Robinson, C.; Robinson, E. L.; Rocchi, A.; Roddy, S.; Rodriguez, C.; Rodruck, M.; Rolland, L.; Rollins, J. G.; Romano, J. D.; Romano, R.; Romie, J. H.; Rosińska, D.; Röver, C.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Salemi, F.; Sammut, L.; Sandberg, V.; Sankar, S.; Sannibale, V.; Santamaría, L.; Santiago-Prieto, I.; Santostasi, G.; Saracco, E.; Sassolas, B.; Sathyaprakash, B. S.; Saulson, P. R.; Savage, R. L.; Schilling, R.; Schnabel, R.; Schofield, R. M. S.; Schulz, B.; Schutz, B. F.; Schwinberg, P.; Scott, J.; Scott, S. M.; Seifert, F.; Sellers, D.; Sentenac, D.; Sergeev, A.; Shaddock, D. A.; Shaltev, M.; Shapiro, B.; Shawhan, P.; Shoemaker, D. H.; Sidery, T. L.; Siemens, X.; Sigg, D.; Simakov, D.; Singer, A.; Singer, L.; Sintes, A. M.; Skelton, G. R.; Slagmolen, B. J. J.; Slutsky, J.; Smith, J. R.; Smith, M. R.; Smith, R. J. E.; Smith-Lefebvre, N. D.; Somiya, K.; Sorazu, B.; Speirits, F. C.; Sperandio, L.; Stefszky, M.; Steinert, E.; Steinlechner, J.; Steinlechner, S.; Steplewski, S.; Stochino, A.; Stone, R.; Strain, K. A.; Strigin, S. E.; Stroeer, A. S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sung, M.; Susmithan, S.; Sutton, P. J.; Swinkels, B.; Szeifert, G.; Tacca, M.; Taffarello, L.; Talukder, D.; Tanner, D. B.; Tarabrin, S. P.; Taylor, R.; ter Braack, A. P. M.; Thomas, P.; Thorne, K. A.; Thorne, K. S.; Thrane, E.; Thüring, A.; Titsler, C.; Tokmakov, K. V.; Tomlinson, C.; Toncelli, A.; Tonelli, M.; Torre, O.; Torres, C. V.; Torrie, C. I.; Tournefier, E.; Travasso, F.; Traylor, G.; Tse, M.; Ugolini, D.; Vahlbruch, H.; Vajente, G.; van den Brand, J. F. J.; Van Den Broeck, C.; van der Putten, S.; van Veggel, A. A.; Vass, S.; Vasuth, M.; Vaulin, R.; Vavoulidis, M.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Verkindt, D.; Vetrano, F.; Viceré, A.; Villar, A. E.; Vinet, J.-Y.; Vitale, S.; Vocca, H.; Vorvick, C.; Vyatchanin, S. P.; Wade, A.; Wade, L.; Wade, M.; Waldman, S. J.; Wallace, L.; Wan, Y.; Wang, M.; Wang, X.; Wanner, A.; Ward, R. L.; Was, M.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Welborn, T.; Wen, L.; Wessels, P.; West, M.; Westphal, T.; Wette, K.; Whelan, J. T.; Whitcomb, S. E.; White, D. J.; Whiting, B. F.; Wiesner, K.; Wilkinson, C.; Willems, P. A.; Williams, L.; Williams, R.; Willke, B.; Wimmer, M.; Winkelmann, L.; Winkler, W.; Wipf, C. C.; Wiseman, A. G.; Wittel, H.; Woan, G.; Wooley, R.; Worden, J.; Yablon, J.; Yakushin, I.; Yamamoto, H.; Yamamoto, K.; Yancey, C. C.; Yang, H.; Yeaton-Massey, D.; Yoshida, S.; Yvert, M.; Zadrożny, A.; Zanolin, M.; Zendri, J.-P.; Zhang, F.; Zhang, L.; Zhao, C.; Zotov, N.; Zucker, M. E.; Zweizig, J.

2013-06-01

We present the results of the first search for gravitational wave bursts associated with high energy neutrinos. Together, these messengers could reveal new, hidden sources that are not observed by conventional photon astronomy, particularly at high energy. Our search uses neutrinos detected by the underwater neutrino telescope ANTARES in its 5 line configuration during the period January - September 2007, which coincided with the fifth and first science runs of LIGO and Virgo, respectively. The LIGO-Virgo data were analysed for candidate gravitational-wave signals coincident in time and direction with the neutrino events. No significant coincident events were observed. We place limits on the density of joint high energy neutrino - gravitational wave emission events in the local universe, and compare them with densities of merger and core-collapse events.

A First Search for Coincident Gravitational Waves and High Energy Neutrinos Using LIGO, Virgo and ANTARES Data from 2007

NASA Technical Reports Server (NTRS)

Adrian-Martinez, S.; Samarai, Al; Albert, A.; Andre, M.; Anghinolfi, M.; Anton, G.; Anvar, S.; Ardid, M; Astraatmadja, T.; Aubert, J.-J.;

The stopping power and energy straggling of light ions in graphene oxide foils

NASA Astrophysics Data System (ADS)

Mikšová, R.; Macková, A.; Malinský, P.; Sofer, Z.

2017-09-01

Energy-loss and straggling experiments were performed using 2-4 MeV 1H+ and 7.4-9.0 MeV 4He2+ ions in graphene oxide foils by the transmission technique. The thickness of the graphene oxide foils was determined using a detailed image analysis of a graphene oxide cut, which was used to refine the graphene oxide density. The density was determined by the standard technique of micro-balance weighing. The stoichiometry of the graphene oxide foils before the irradiation was determined by Rutherford backscattering spectrometry (RBS) and elastic recoil detection analysis (ERDA) using 2 and 2.5 MeV 4He+. The measured energy stopping powers for hydrogen and helium ions in graphene oxide were compared with the predictions obtained from the SRIM-2013 code. The energy straggling was compared with that calculated using Bohr's, Bethe-Livingston and Yang predictions. The results show that the stopping power of graphene oxide foils irradiated by both ion species decreases with increasing energies, the differences between the measured and predicted values being below 3.8%. The energy straggling determined in our experiment is higher than Bohr's and Bethe-Livingston predicted values; the predictions by Yang are in better agreement with our experiment.

Analytical modeling of electron energy loss spectroscopy of graphene: Ab initio study versus extended hydrodynamic model.

PubMed

Djordjević, Tijana; Radović, Ivan; Despoja, Vito; Lyon, Keenan; Borka, Duško; Mišković, Zoran L

2018-01-01

We present an analytical modeling of the electron energy loss (EEL) spectroscopy data for free-standing graphene obtained by scanning transmission electron microscope. The probability density for energy loss of fast electrons traversing graphene under normal incidence is evaluated using an optical approximation based on the conductivity of graphene given in the local, i.e., frequency-dependent form derived by both a two-dimensional, two-fluid extended hydrodynamic (eHD) model and an ab initio method. We compare the results for the real and imaginary parts of the optical conductivity in graphene obtained by these two methods. The calculated probability density is directly compared with the EEL spectra from three independent experiments and we find very good agreement, especially in the case of the eHD model. Furthermore, we point out that the subtraction of the zero-loss peak from the experimental EEL spectra has a strong influence on the analytical model for the EEL spectroscopy data. Copyright © 2017 Elsevier B.V. All rights reserved.

On the properties of synchrotron-like X-ray emission from laser wakefield accelerated electron beams

NASA Astrophysics Data System (ADS)

McGuffey, C.; Schumaker, W.; Matsuoka, T.; Chvykov, V.; Dollar, F.; Kalintchenko, G.; Kneip, S.; Najmudin, Z.; Mangles, S. P. D.; Vargas, M.; Yanovsky, V.; Maksimchuk, A.; Thomas, A. G. R.; Krushelnick, K.

2018-04-01

The electric and magnetic fields responsible for electron acceleration in a Laser Wakefield Accelerator (LWFA) also cause electrons to radiate x-ray photons. Such x-ray pulses have several desirable properties including short duration and being well collimated with tunable high energy. We measure the scaling of this x-ray source experimentally up to laser powers greater than 100 TW. An increase in laser power allows electron trapping at a lower density as well as with an increased trapped charge. These effects resulted in an x-ray fluence that was measured to increase non-linearly with laser power. The fluence of x-rays was also compared with that produced from K-α emission resulting from a solid target interaction for the same energy laser pulse. The flux was shown to be comparable, but the LWFA x-rays had a significantly smaller source size. This indicates that such a source may be useful as a backlighter for probing high energy density plasmas with ultrafast temporal resolution.

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.

Design of activated carbon/activated carbon asymmetric capacitors

NASA Astrophysics Data System (ADS)

Piñeiro-Prado, Isabel; Salinas-Torres, David; Ruiz Rosas, Ramiro; Morallon, Emilia; Cazorla-Amoros, Diego

2016-03-01

Supercapacitors are energy storage devices that offer a high power density and a low energy density in comparison with batteries. Their limited energy density can be overcome by using asymmetric configuration in mass electrodes, where each electrode works within their maximum available potential window, rendering the maximum voltage output of the system. Such asymmetric capacitors must be optimized through careful electrochemical characterization of the electrodes for accurate determination of the capacitance and the potential stability limits. The results of the characterization are then used for optimizing mass ratio of the electrodes from the balance of stored charge. The reliability of the design largely depends on the approach taken for the electrochemical characterization. Therefore, the performance could be lower than expected and even the system could break down, if a well thought out procedure is not followed. In this work, a procedure for the development of asymmetric supercapacitors based on activated carbons is detailed. Three activated carbon materials with different textural properties and surface chemistry have been systematically characterized in neutral aqueous electrolyte. The asymmetric configuration of the masses of both electrodes in the supercapacitor has allowed to cover a higher potential window, resulting in an increase of the energy density of the three devices studied when compared with the symmetric systems, and an improved cycle life.

Transition metal sulfides grown on graphene fibers for wearable asymmetric supercapacitors with high volumetric capacitance and high energy density

NASA Astrophysics Data System (ADS)

Cai, Weihua; Lai, Ting; Lai, Jianwei; Xie, Haoting; Ouyang, Liuzhang; Ye, Jianshan; Yu, Chengzhong

2016-06-01

Fiber shaped supercapacitors are promising candidates for wearable electronics because they are flexible and light-weight. However, a critical challenge of the widespread application of these energy storage devices is their low cell voltages and low energy densities, resulting in limited run-time of the electronics. Here, we demonstrate a 1.5 V high cell voltage and high volumetric energy density asymmetric fiber supercapacitor in aqueous electrolyte. The lightweight (0.24 g cm-3), highly conductive (39 S cm-1), and mechanically robust (221 MPa) graphene fibers were firstly fabricated and then coated by NiCo2S4 nanoparticles (GF/NiCo2S4) via the solvothermal deposition method. The GF/NiCo2S4 display high volumetric capacitance up to 388 F cm-3 at 2 mV s-1 in a three-electrode cell and 300 F cm-3 at 175.7 mA cm-3 (568 mF cm-2 at 0.5 mA cm-2) in a two-electrode cell. The electrochemical characterizations show 1000% higher capacitance of the GF/NiCo2S4 as compared to that of neat graphene fibers. The fabricated device achieves high energy density up to 12.3 mWh cm-3 with a maximum power density of 1600 mW cm-3, outperforming the thin-film lithium battery. Therefore, these supercapacitors are promising for the next generation flexible and wearable electronic devices.

Transition metal sulfides grown on graphene fibers for wearable asymmetric supercapacitors with high volumetric capacitance and high energy density

PubMed Central

Cai, Weihua; Lai, Ting; Lai, Jianwei; Xie, Haoting; Ouyang, Liuzhang; Ye, Jianshan; Yu, Chengzhong

2016-01-01

Fiber shaped supercapacitors are promising candidates for wearable electronics because they are flexible and light-weight. However, a critical challenge of the widespread application of these energy storage devices is their low cell voltages and low energy densities, resulting in limited run-time of the electronics. Here, we demonstrate a 1.5 V high cell voltage and high volumetric energy density asymmetric fiber supercapacitor in aqueous electrolyte. The lightweight (0.24 g cm−3), highly conductive (39 S cm−1), and mechanically robust (221 MPa) graphene fibers were firstly fabricated and then coated by NiCo2S4 nanoparticles (GF/NiCo2S4) via the solvothermal deposition method. The GF/NiCo2S4 display high volumetric capacitance up to 388 F cm−3 at 2 mV s−1 in a three-electrode cell and 300 F cm−3 at 175.7 mA cm−3 (568 mF cm−2 at 0.5 mA cm−2) in a two-electrode cell. The electrochemical characterizations show 1000% higher capacitance of the GF/NiCo2S4 as compared to that of neat graphene fibers. The fabricated device achieves high energy density up to 12.3 mWh cm−3 with a maximum power density of 1600 mW cm−3, outperforming the thin-film lithium battery. Therefore, these supercapacitors are promising for the next generation flexible and wearable electronic devices. PMID:27248510

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.

Cataract production in mice by heavy charged particles

NASA Technical Reports Server (NTRS)

Ainsworth, E. J.; Jose, U.; Yang, V. V.; Barker, M. E.

1981-01-01

The cataractogenic effects of heavy charged particles are evaluated in mice in relation to dose and ionization density. The relative biological effectiveness in relation to linear energy transfer for various particles is considered. Results indicated that low single doses (5 to 20 rad) of Fe 56 or Ar 40 particles are cataractogenic at 11 to 18 months after irradiation; onset and density of the opacification are dose related and cataract density (grade) at 9, 11, 13, and 16 months after irradiation shows partial linear energy transfer dependence. The severity of cataracts is reduced significantly when 417 rad of Co 60 gamma radiation is given in 24 weekly 17 rad fractions compared to giving this radiation as a single dose, but cataract severity is not reduced by fractionation of C12 doses over 24 weeks.

High-power density piezoelectric energy harvesting using radially strained ultrathin trigonal tellurium nanowire assembly.

PubMed

Lee, Tae Il; Lee, Sangmin; Lee, Eungkyu; Sohn, Sungwoo; Lee, Yean; Lee, Sujeong; Moon, Geondae; Kim, Dohyang; Kim, Youn Sang; Myoung, Jae Min; Wang, Zhong Lin

2013-06-04

A high-yield solution-processed ultrathin (<10 nm) trigonal tellurium (t-Te) nanowire (NW) is introduced as a new class of piezoelectric nanomaterial with a six-fold higher piezoelectric constant compared to conventional ZnO NWs for a high-volume power-density nanogenerator (NG). While determining the energy-harvesting principle in a NG consisting of t-Te NW, it is theoretically and experimentally found that t-Te NW is piezoelectrically activated only by creating strain in its radial direction, along which it has an asymmetric crystal structure. Based upon this mechanism, a NG with a monolayer consisting of well-aligned t-Te NWs and a power density of 9 mW/cm(3) is fabricated. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular adsorption on metal surfaces with van der Waals density functionals

NASA Astrophysics Data System (ADS)

Li, Guo; Tamblyn, Isaac; Cooper, Valentino R.; Gao, Hong-Jun; Neaton, Jeffrey B.

2012-03-01

The adsorption of 1,4-benzenediamine (BDA) on Au(111) and azobenzene on Ag(111) is investigated using density functional theory (DFT) with the nonlocal van der Waals density functional (vdW-DF) and the semilocal Perdew-Burke-Ernzerhof functional. For BDA on Au(111), the inclusion of London dispersion interactions not only dramatically enhances the molecule-substrate binding, resulting in adsorption energies consistent with experimental results, but also significantly alters the BDA binding geometry. For azobenzene on Ag(111), vdW-DFs produce superior adsorption energies compared to those obtained with other dispersion-corrected DFT approaches. These results provide evidence for the applicability of the vdW-DF approach and serve as practical benchmarks for the investigation of molecules adsorbed on noble-metal surfaces.

Effects of medium on nuclear properties in multifragmentation

NASA Astrophysics Data System (ADS)

De, J. N.; Samaddar, S. K.; Viñas, X.; Centelles, M.; Mishustin, I. N.; Greiner, W.

2012-08-01

In multifragmentation of hot nuclear matter, properties of fragments embedded in a soup of nucleonic gas and other fragments should be modified as compared with isolated nuclei. Such modifications are studied within a simple model where only nucleons and one kind of heavy nuclei are considered. The interaction between different species is described with a momentum-dependent two-body potential whose parameters are fitted to reproduce properties of cold isolated nuclei. The internal energy of heavy fragments is parametrized according to a liquid-drop model with density- and temperature-dependent parameters. Calculations are carried out for several subnuclear densities and moderate temperatures, for isospin-symmetric and asymmetric systems. We find that the fragments get stretched due to interactions with the medium and their binding energies decrease with increasing temperature and density of nuclear matter.

Towards a methodology to formulate sustainable diets for livestock: accounting for environmental impact in diet formulation.

PubMed

Mackenzie, S G; Leinonen, I; Ferguson, N; Kyriazakis, I

2016-05-28

The objective of this study was to develop a novel methodology that enables pig diets to be formulated explicitly for environmental impact objectives using a Life Cycle Assessment (LCA) approach. To achieve this, the following methodological issues had to be addressed: (1) account for environmental impacts caused by both ingredient choice and nutrient excretion, (2) formulate diets for multiple environmental impact objectives and (3) allow flexibility to identify the optimal nutritional composition for each environmental impact objective. An LCA model based on Canadian pig farms was integrated into a diet formulation tool to compare the use of different ingredients in Eastern and Western Canada. By allowing the feed energy content to vary, it was possible to identify the optimum energy density for different environmental impact objectives, while accounting for the expected effect of energy density on feed intake. A least-cost diet was compared with diets formulated to minimise the following objectives: non-renewable resource use, acidification potential, eutrophication potential, global warming potential and a combined environmental impact score (using these four categories). The resulting environmental impacts were compared using parallel Monte Carlo simulations to account for shared uncertainty. When optimising diets to minimise a single environmental impact category, reductions in the said category were observed in all cases. However, this was at the expense of increasing the impact in other categories and higher dietary costs. The methodology can identify nutritional strategies to minimise environmental impacts, such as increasing the nutritional density of the diets, compared with the least-cost formulation.

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

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

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

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).

An Electrothermal Plasma Source Developed for Simulation of Transient Heat Loads in Future Large Fusion Devices

NASA Astrophysics Data System (ADS)

Gebhart, Trey; Baylor, Larry; Winfrey, Leigh

2016-10-01

The realization of fusion energy requires materials that can withstand high heat and particle fluxes at the plasma material interface. In this work, an electrothermal (ET) plasma source has been designed as a possible transient heat flux source for a linear plasma material interaction device. An ET plasma source operates in the ablative arc regime, which is driven by a DC capacitive discharge. The current travels through the 4mm bore of a boron nitride liner and subsequently ablates and ionizes the liner material. This results in a high density plasma with a large unidirectional bulk flow out of the source exit. The pulse length for the ET source has been optimized using a pulse forming network to have a duration of 1ms at full-width half maximum. The peak currents and maximum source energies seen in this system are 2kA and 5kJ. The goal of this work is to show that the ET source produces electron densities and heat fluxes that are comparable to transient events in future large magnetic confinement fusion devices. Heat flux, plasma temperature, and plasma density were determined for each test shot using infrared imaging and optical spectroscopy techniques. This work will compare the ET source output (heat flux, temperature, and density) with and without an applied magnetic field. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

The effect of different π-bridge configuration on bi-anchored triphenylamine and phenyl modified triphenylamine based dyes for dye sensitized solar cell (DSSC) application: A theoretical approach.

PubMed

Pounraj, P; Mohankumar, V; Pandian, M Senthil; Ramasamy, P

2018-01-01

Twenty eight bi-anchored triphenylamine (TH-1 to TH-14) and phenyl modified triphenylamine (PH-TH-1 to PH-TH-14) based metal free organic dyes are designed for DSSC application. The electronic effect of different π-bridge configurations in donor-π-bridge-acceptor (D-π-A) 2 structure was theoretically simulated and verified using density functional theory (DFT) and time dependent density functional theory (TD-DFT). The triphenylamine and phenyl modified triphenylamine groups are used as donor and cyanoacrylic acid group is used as acceptor. Thiophene and cyanovinyl groups are used as π-bridge. The ground state molecular structure was optimized by density functional theory and the electronic absorption spectra were calculated by time dependent density functional theory. The light harvesting efficiency (LHE), dye regeneration energy (ΔG reg ) and electron injection energy (ΔG inject ) are determined by computational examination. It is observed that, when the number of π-bridge increases, the band gap of the dye decreases. Also the absorption maximum and molar extinction coefficient of the dyes are increased. Theoretical result shows that the thiophene-cyanovinyl and thiophene-thiophene-cyanovinyl-cyanovinyl configurations give broader and red shifted absorption spectrum compared to other configurations. Also the results of phenyl modified triphenylamine (PH-TH) dyes clearly show better absorption and dye regeneration energy compared to TH dyes. Copyright © 2017 Elsevier Inc. All rights reserved.

Performance of beryllium targets with full-scale capsules in low-fill 6.72-mm hohlraums on the National Ignition Facility

DOE PAGES

Simakov, A. N.; Wilson, D. C.; Yi, S. A.; ...

2017-05-10

When used with 1.06-mm beryllium (Be) capsules on the National Ignition Facility, gold hohlraums with the inner diameter of 5.75 mm and helium gas fill density of 1.6 mg/cm 3 exhibit significant drive degradation due to laser energy backscatter (of order 14%–17%) and “missing” X-ray drive energy (about 32% during the main pulse). Also, hard to simulate cross-beam energy transfer (CBET) must be used to control the implosion symmetry. Larger, 6.72-mm hohlraums with fill densities ≤0.6 mg/cm 3 generally offer improved drive efficiency, reduced hot-electron preheat, and better control of the implosion symmetry without CBET. Recently, we carried out anmore » exploratory campaign to evaluate performance of 1.06-mm Be capsules in such hohlraums and determine optimal hohlraum parameters. Specifically, we performed in this paper a hohlraum fill-density scan with a three-shock, 9.5-ns laser pulse and found that an appropriate axial laser repointing and azimuthal outer-quad splitting resulted in significantly improved hohlraum energetics at fill densities ≤0.3 mg/cm 3 (with backscattered and “missing” energies being of about 5% and 23% of the total laser energy, respectively). The capsule shape at stagnation was slightly oblate and improved with lowering the fill density. We also performed an implosion with a lower-picket, 12.6-ns pulse at the hohlraum fill density of 0.15 mg/cm 3 to observe comparable hohlraum energetics (about 3% of backscattered and 27% of “missing” energy) but an even more oblate implosion shape. Finally, achieving symmetric implosions of 1.06-mm Be capsules in low-fill, 6.72-mm gold hohlraums with reasonably low-adiabat pulses may not be feasible. However, symmetric implosions have recently been successfully demonstrated in such hohlraums with 0.8-mm Be capsules.« less

Phase transitions in core-collapse supernova matter at sub-saturation densities

NASA Astrophysics Data System (ADS)

Pais, Helena; Newton, William G.; Stone, Jirina R.

2014-12-01

Phase transitions in hot, dense matter in the collapsing cores of massive stars have an important impact on the core-collapse supernova mechanism as they absorb heat, disrupt homology, and so weaken the developing shock. We perform a three-dimensional, finite temperature Skyrme-Hartree-Fock (SHF) study of inhomogeneous nuclear matter to determine the critical density and temperature for the phase transition between the pasta phase and homogeneous matter and its properties. We employ four different parametrizations of the Skyrme nuclear energy-density functional, SkM*, SLy4, NRAPR, and SQMC700, which span a range of saturation-density symmetry energy behaviors constrained by a variety of nuclear experimental probes. For each of these interactions we calculate free energy, pressure, entropy, and chemical potentials in the range of particle number densities where the nuclear pasta phases are expected to exist, 0.02-0.12 fm-3, temperatures 2-8 MeV, and a proton fraction of 0.3. We find unambiguous evidence for a first-order phase transition to uniform matter, unsoftened by the presence of the pasta phases. No conclusive signs of a first-order phase transition between the pasta phases is observed, and it is argued that the thermodynamic quantities vary continuously right up to the first-order phase transition to uniform matter. We compare our results with thermodynamic spinodals calculated using the same Skyrme parametrizations, finding that the effect of short-range Coulomb correlations and quantum shell effects included in our model leads to the pasta phases existing at densities up to 0.01 fm-3 above the spinodal boundaries, thus increasing the transition density to uniform matter by the same amount. The transition density is otherwise shown to be insensitive to the symmetry energy at saturation density within the range constrained by the concordance of a variety of experimental constraints, and can be taken to be a well determined quantity.

Molecular density functional theory of water describing hydrophobicity at short and long length scales

NASA Astrophysics Data System (ADS)

Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

2013-10-01

We present an extension of our recently introduced molecular density functional theory of water [G. Jeanmairet et al., J. Phys. Chem. Lett. 4, 619 (2013)] to the solvation of hydrophobic solutes of various sizes, going from angstroms to nanometers. The theory is based on the quadratic expansion of the excess free energy in terms of two classical density fields: the particle density and the multipolar polarization density. Its implementation requires as input a molecular model of water and three measurable bulk properties, namely, the structure factor and the k-dependent longitudinal and transverse dielectric susceptibilities. The fine three-dimensional water structure around small hydrophobic molecules is found to be well reproduced. In contrast, the computed solvation free-energies appear overestimated and do not exhibit the correct qualitative behavior when the hydrophobic solute is grown in size. These shortcomings are corrected, in the spirit of the Lum-Chandler-Weeks theory, by complementing the functional with a truncated hard-sphere functional acting beyond quadratic order in density, and making the resulting functional compatible with the Van-der-Waals theory of liquid-vapor coexistence at long range. Compared to available molecular simulations, the approach yields reasonable solvation structure and free energy of hard or soft spheres of increasing size, with a correct qualitative transition from a volume-driven to a surface-driven regime at the nanometer scale.

The energy density distribution of an ideal gas and Bernoulli’s equations

NASA Astrophysics Data System (ADS)

Santos, Leonardo S. F.

2018-05-01

This work discusses the energy density distribution in an ideal gas and the consequences of Bernoulli’s equation and the corresponding relation for compressible fluids. The aim of this work is to study how Bernoulli’s equation determines the energy flow in a fluid, although Bernoulli’s equation does not describe the energy density itself. The model from molecular dynamic considerations that describes an ideal gas at rest with uniform density is modified to explore the gas in motion with non-uniform density and gravitational effects. The difference between the component of the speed of a particle that is parallel to the gas speed and the gas speed itself is called ‘parallel random speed’. The pressure from the ‘parallel random speed’ is denominated as parallel pressure. The modified model predicts that the energy density is the sum of kinetic and potential gravitational energy densities plus two terms with static and parallel pressures. The application of Bernoulli’s equation and the corresponding relation for compressible fluids in the energy density expression has resulted in two new formulations. For incompressible and compressible gas, the energy density expressions are written as a function of stagnation, static and parallel pressures, without any dependence on kinetic or gravitational potential energy densities. These expressions of the energy density are the main contributions of this work. When the parallel pressure was uniform, the energy density distribution for incompressible approximation and compressible gas did not converge to zero for the limit of null static pressure. This result is rather unusual because the temperature tends to zero for null pressure. When the gas was considered incompressible and the parallel pressure was equal to static pressure, the energy density maintained this unusual behaviour with small pressures. If the parallel pressure was equal to static pressure, the energy density converged to zero for the limit of the null pressure only if the gas was compressible. Only the last situation describes an intuitive behaviour for an ideal gas.

Densities and temperatures in the polar thermosphere

NASA Technical Reports Server (NTRS)

Gardner, L. J.

1977-01-01

The atomic oxygen density at 120 km, the 630 nm airglow temperature, the helium density at 300 km and the molecular nitrogen density near 400 km were examined as functions of geomagnetic latitude, geomagnetic time, season and magnetic activity level. The long-term averages of these quantities were examined so as to provide a baseline of these thermospheric parameters from which future studies may be made for comparison. The hours around magnetic noon are characterized by low temperatures, high 0 and He densities, and median nitrogen densities. The pre-midnight hours exhibit high temperatures, high He density, low nitrogen density and median 0 densities. The post-midnight sector shows low 0 and He densities, median temperatures and high nitrogen densities. These results are compared to recent models and observations and are discussed with respect to their causes due to divergence of the wind field and energy deposition in the thermosphere.

Effect of metal in M 3(btc) 2 and M 2(dobdc) MOFs for O 2/N 2 separations: A combined density functional theory and experimental study

DOE PAGES

Parkes, Marie V.; Sava Gallis, Dorina F.; Greathouse, Jeffery A.; ...

2015-03-02

Computational screening of metal-organic framework (MOF) materials for selective oxygen adsorption from air could lead to new sorbents for the oxyfuel combustion process feedstock streams. A comprehensive study on the effect of MOF metal chemistry on gas binding energies in two common but structurally disparate metal-organic frameworks has been undertaken. Dispersion-corrected density functional theory methods were used to calculate the oxygen and nitrogen binding energies with each of fourteen metals, respectively, substituted into two MOF series, M 2(dobdc) and M 3(btc) 2. The accuracy of DFT methods was validated by comparing trends in binding energy with experimental gas sorption measurements.more » A periodic trend in oxygen binding energies was found, with greater oxygen binding energies for early transition-metal-substituted MOFs compared to late transition metal MOFs; this was independent of MOF structural type. The larger binding energies were associated with oxygen binding in a side-on configuration to the metal, with concomitant lengthening of the O-O bond. In contrast, nitrogen binding energies were similar across the transition metal series, regardless of both MOF structural type and metal identity. Altogether, these findings suggest that early transition metal MOFs are best suited to separating oxygen from nitrogen, and that the MOF structural type is less important than the metal identity.« less

Performances of 250 Amp-hr lithium/thionyl chloride cells

NASA Technical Reports Server (NTRS)

Goualard, Jacques

1991-01-01

A 250 Ah lithium thionyl chloride battery is being developed for a booster rocket engine. Extensive cell testing is running to evaluate functional and safety performances. Some results are presented. The lithium/thionyl chloride batteries were selected for their high energy density (low weight) as compared to other sources. The temperature of a lower weight item will be more sensitive to variations of internal and external heat fluxes than a heavier one. The use of high energy density L/TC batteries is subjected to stringent thermal environments to have benefit of energy density and to stay safe in any conditions. The battery thermal environment and discharge rate have to be adjusted to obtain the right temperature range at cell level, to have the maximum performances. Voltage and capacity are very sensitive to temperature. This temperature is the cell internal actual temperature during discharge. This temperature is directed by external thermal environment and by cell internal heat dissipation, i.e., cell actual voltage.

Ion energetics at Saturn's magnetosphere using Cassini/MIMI measurements: A simple model for the energetic ion integral moments

NASA Astrophysics Data System (ADS)

Dialynas, K.; Paranicas, C.; Roussos, E.; Krimigis, S. M.; Kane, M.; Mitchell, D. G.

2015-12-01

We present a composite analysis (H+ and O+) of energetic ion spectra and kappa distribution fits, using combined ion measurements from Charge Energy Mass Spectrometer (CHEMS, 3 to 236 keV/e), Low Energy Magnetospheric Measurements System (LEMMS, 0.024 < E < 18 MeV), and the Ion Neutral Camera (INCA, ~5.2 to >220 keV for H+). The modeled expressions of these energetic ion distributions are then used to obtain the four integral particle moments (from zeroth to 3rd moment: n, In, P, IE, i.e. Density, Integral number intensity, Pressure, Integral energy intensity) as well as the characteristic energy (EC=IE/In) of these ions as a function of Local Time and L-Shell. We find that a) protons dominate the energetic ion (>30 keV) integral number and energy intensity at all radial distances (L>5 Rs) and local times, while the H+ and O+ partial pressures and densities are comparable; b) the 12

Feasibility of dual-energy computed tomography in radiation therapy planning

NASA Astrophysics Data System (ADS)

Sheen, Heesoon; Shin, Han-Back; Cho, Sungkoo; Cho, Junsang; Han, Youngyih

2017-12-01

In this study, the noise level, effective atomic number ( Z eff), accuracy of the computed tomography (CT) number, and the CT number to the relative electron density EDconversion curve were estimated for virtual monochromatic energy and polychromatic energy. These values were compared to the theoretically predicted values to investigate the feasibility of the use of dual-energy CT in routine radiation therapy planning. The accuracies of the parameters were within the range of acceptability. These results can serve as a stepping stone toward the routine use of dual-energy CT in radiotherapy planning.

Design of Alpha Voltaic Power Source Using Americium 241 (241Am) and Diamond with a Power Density of 10 mW/cm3

DTIC Science & Technology

2017-10-19

GaN) was calculated and compared . Alpha-voltaic energy converters were designed in diamond and GaN based on the energy deposition calculations...Example Power Source Two example device designs are calculated and compared . A diamond device containing 2 charge collection regions (Schottky and p...ARL-TR-8189 ● OCT 2017 US Army Research Laboratory Design of Alpha-Voltaic Power Source Using Americium-241 (241Am) and Diamond

High energy ball milling study of Fe{sub 2}MnSn Heusler alloy

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

Jain, Vivek Kumar, E-mail: vivek.jain129@gmail.com; Lakshmi, N.; Jain, Vishal

The structural and magnetic properties of as-melted and high energy ball milled alloy samples have been studied by X-ray diffraction, DC magnetization and electronic structure calculations by means of density functional theory. The observed properties are compared to that of the bulk sample. There is a very good enhancement of saturation magnetization and coercivity in the nano-sized samples as compared to bulk which is explained in terms of structural disordering and size effect.

Frequency Rectification Applied to Piezoelectric Energy Harvesting and Improving Available Power of Piezoelectric Motors

NASA Astrophysics Data System (ADS)

Kuroda, Kazuaki; LCGT Collaboration

Piezoelectric materials are just now, within the last decade, coming into their own as a commercial material. Capable of converting energy from the mechanical domain to the electrical domain; piezos are ideal sensors, vibration dampers, energy harvesters, and actuators. Frequency rectification, or the conversion of small, high frequency piezoelectric vibrations into useful low frequency actuation, is required to obtain widespread industrial use of piezoelectric devices. This work examines three manifestations of piezoelectric frequency rectification: energy harvesting, a hydraulic motor, and friction based commercial-off-the-shelf motors. An energy harvesting device is developed, manufactured, and tested in this work, resulting in the development of a high Energy Density (J/m 3), high Power Density (W/m3) energy harvester. The device is shown to have an Energy Density nearly twice that of a similar conventional energy harvesting device. The result of this work is the development of an energy harvesting system that generates more energy in a given volume of piezoelectric material, opening the possibility of miniaturization of energy harvesting devices. Also presented is an effort to integrate a high frequency, high flow rate micromachined valve array into a PiezoHydraulic Pump (PHP), enabling resonant operation of the PHP. Currently, the device is limited by the resonant frequency of the proprietary passive check valves. The PHP is fully characterized, and the microvalve array is tested to determine its resonant frequency in a fluid medium. The valve testing resulted in a resonant frequency of 6.9 kHz, slightly lower than the target operating frequency of 10 kHz. Finally, the results of an examination of frequency rectification as applied to COTS piezoelectric motors are presented. Currently, motors are almost universally characterized based upon their available mechanical power. A better comparison is one based upon the actual Energy Density of the piezoelectric material utilized in the motor compared to the theoretical maximum Energy Density under the motor operating conditions (i.e., frequency, applied electric field). The result of this work is a more descriptive metric to evaluate piezoelectric motors that provides information on the effectiveness of the motor drive train; that is, how effectively the motion of the piezoelectric is transferred to the outside world.

Controlled porosity in electrodes

DOEpatents

Chiang, Yet-Ming; Bae, Chang-Jun; Halloran, John William; Fu, Qiang; Tomsia, Antoni P.; Erdonmez, Can K.

2015-06-23

Porous electrodes in which the porosity has a low tortuosity are generally provided. In some embodiments, the porous electrodes can be designed to be filled with electrolyte and used in batteries, and can include low tortuosity in the primary direction of ion transport during charge and discharge of the battery. In some embodiments, the electrodes can have a high volume fraction of electrode active material (i.e., low porosity). The attributes outlined above can allow the electrodes to be fabricated with a higher energy density, higher capacity per unit area of electrode (mAh/cm.sup.2), and greater thickness than comparable electrodes while still providing high utilization of the active material in the battery during use. Accordingly, the electrodes can be used to produce batteries with high energy densities, high power, or both compared to batteries using electrodes of conventional design with relatively highly tortuous pores.

Low-energy BF2, BCl2, and BBr2 implants for ultrashallow P+-N junctions

NASA Astrophysics Data System (ADS)

Nandan, S. R.; Agarwal, Vikas; Banerjee, Sanjay K.

1997-08-01

We have examined low energy BCl2 and BBr2 implants as a means of fabricating ultra-shallow P+-N junctions. Five keV and 9 keV BCl2 implants and 18 keV BBr2 implants have been compared to 5 keV BF2 implants to study the benefits of using these species. BCl2 and BBr2, being heavier species, have a lower projected range and produce more damage. The greater damage restricts channeling, resulting in shallower as-implanted profiles. The increased damage amorphizes the substrate at low implant doses which results in reduced transient enhanced diffusion (TED) during the post-implant anneal. Post-anneal SIMS profiles indicate a junction depth reduction of over 10 nm (at 5 X 1017 cm-3 background doping) for 5 keV BCl2 implants as compared to 5 keV BF2 implants. Annealed junctions as shallow as 10 nm have been obtained from the 18 keV BBr2 implants. The increased damage degrades the electrical properties of these junctions by enhancing the leakage current densities. BCl2 implanted junctions have leakage current densities of approximately 1 (mu) A/cm2 as compared to 10 nA/cm2 for the BF2 implants. BBr2 implants have a lower leakage density of approximately 50 nA/cm2. Low energy BBr2 implants offer an exciting alternative for fabricating low leakage, ultra-shallow P+-N junctions.

Nonlocal kinetic energy functionals by functional integration.

PubMed

Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

2018-05-14

Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, T s [ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δT s [ρ]δρ(r), yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for T s [ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

Effect of distribution, interface property and density of hydrogel-embedded vertically aligned carbon nanotube arrays on the properties of a flexible solid state supercapacitor

NASA Astrophysics Data System (ADS)

Zhu, Qi; Yuan, Xietao; Zhu, Yihao; Ni, Jiangfeng; Zhang, Xiaohua; Yang, Zhaohui

2018-05-01

In this paper we fabricate a robust flexible solid-state supercapacitor (FSC) device by embedding a conductive poly(vinyl alcohol) hydrogel into aligned carbon nanotube (CNT) arrays. We carefully investigate the effect of distribution, interface properties and densification of CNTs in the gel matrix on the electrochemical properties of an FSC. The total electrochemical capacitance of the device is measured to be 227 mF cm‑3 with a maximum energy density of 0.02 mWh cm‑3, which is dramatically enhanced compared with a similar device composed of non-parallel CNTs. Additionally, controllable in situ electrochemical oxidation greatly improved the compatibility between the hydrophobic CNTs and the hydrophilic hydrogel, which decreased the resistance of the device and introduced extra pseudocapacitance. After such oxidation treatment the energy storage ability further doubled to 430 mF cm‑3 with a maximum energy density of 0.04 mWh cm‑3 . The FSCs based on densified CNT arrays exhibited a much higher volumetric capacitance of 1140 mF cm‑3 and a larger energy density of 0.1 mWh cm‑3, with a large power density of 14 mW cm‑3. All devices show excellent stability of capacitance after at least 10 000 charge–discharge cycles with a loss of less than 2%. These easy-to-assemble hybrid arrays thus potentially provide a new method for manufacturing wearable devices and implantable medical devices.

Nonlocal kinetic energy functionals by functional integration

NASA Astrophysics Data System (ADS)

Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

2018-05-01

Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

Effect of distribution, interface property and density of hydrogel-embedded vertically aligned carbon nanotube arrays on the properties of a flexible solid state supercapacitor.

PubMed

Zhu, Qi; Yuan, Xietao; Zhu, Yihao; Ni, Jiangfeng; Zhang, Xiaohua; Yang, Zhaohui

2018-05-11

In this paper we fabricate a robust flexible solid-state supercapacitor (FSC) device by embedding a conductive poly(vinyl alcohol) hydrogel into aligned carbon nanotube (CNT) arrays. We carefully investigate the effect of distribution, interface properties and densification of CNTs in the gel matrix on the electrochemical properties of an FSC. The total electrochemical capacitance of the device is measured to be 227 mF cm -3 with a maximum energy density of 0.02 mWh cm -3 , which is dramatically enhanced compared with a similar device composed of non-parallel CNTs. Additionally, controllable in situ electrochemical oxidation greatly improved the compatibility between the hydrophobic CNTs and the hydrophilic hydrogel, which decreased the resistance of the device and introduced extra pseudocapacitance. After such oxidation treatment the energy storage ability further doubled to 430 mF cm -3 with a maximum energy density of 0.04 mWh cm -3 . The FSCs based on densified CNT arrays exhibited a much higher volumetric capacitance of 1140 mF cm -3 and a larger energy density of 0.1 mWh cm -3 , with a large power density of 14 mW cm -3 . All devices show excellent stability of capacitance after at least 10 000 charge-discharge cycles with a loss of less than 2%. These easy-to-assemble hybrid arrays thus potentially provide a new method for manufacturing wearable devices and implantable medical devices.

Dependence of mobility on shallow localized gap states in single-crystal organic field-effect-transistors

NASA Astrophysics Data System (ADS)

Butko, V. Y.; So, W.; Lang, D. V.; Chi, X.; Lashley, J. C.; Ramirez, A. P.

2009-12-01

In order to optimize the performance of molecular organic electronic devices it is important to study the intermolecular density of states and charge transport mechanisms in the environment of crystalline organic material. Using this approach in Field Effect Transistors (FETs) we show that material purification improves carrier mobility and decreases density of the deep localized electronic state. We also report a general exponential energy dependence of the density of localized states in a vicinity of the mobility edge (Fermi energies up to ∼7 times higher than the thermal energy (kT)) in a variety of the extensively purified molecular organic crystal FETs. This observation and the low activation energy of the order of ∼kT suggest that molecular structural misplacements of the sizes that are comparable with thermal molecular modes rather than impurity deep traps play a role in formation of these shallow states. We find that the charge carrier mobility in the FET nanochannels, μeff, is parameterized by two factors, the free-carrier mobility, μ0, and the ratio of the free carrier density to the total carrier density induced by gate bias. Crystalline FETs fabricated from rubrene, pentacene, and tetracene have a high free-carrier mobility, μ0∼50 cm2/Vs, at 300 K with lower device μeff dominated by localized shallow gap states. This relationship suggests that further improvements in electronic performance could be possible with enhanced device quality.

Electronic energy density in chemical reaction systems

NASA Astrophysics Data System (ADS)

Tachibana, Akitomo

2001-08-01

The energy of chemical reaction is visualized in real space using the electronic energy density nE(r⃗) associated with the electron density n(r⃗). The electronic energy density nE(r⃗) is decomposed into the kinetic energy density nT(r⃗), the external potential energy density nV(r⃗), and the interelectron potential energy density nW(r⃗). Using the electronic energy density nE(r⃗) we can pick up any point in a chemical reaction system and find how the electronic energy E is assigned to the selected point. We can then integrate the electronic energy density nE(r⃗) in any region R surrounding the point and find out the regional electronic energy ER to the global E. The kinetic energy density nT(r⃗) is used to identify the intrinsic shape of the reactants, the electronic transition state, and the reaction products along the course of the chemical reaction coordinate. The intrinsic shape is identified with the electronic interface S that discriminates the region RD of the electronic drop from the region RA of the electronic atmosphere in the density distribution of the electron gas. If the R spans the whole space, then the integral gives the total E. The regional electronic energy ER in thermodynamic ensemble is realized in electrochemistry as the intrinsic Volta electric potential φR and the intrinsic Herring-Nichols work function ΦR. We have picked up first a hydrogen-like atom for which we have analytical exact expressions of the relativistic kinetic energy density nTM(r⃗) and its nonrelativistic version nT(r⃗). These expressions are valid for any excited bound states as well as the ground state. Second, we have selected the following five reaction systems and show the figures of the nT(r⃗) as well as the other energy densities along the intrinsic reaction coordinates: a protonation reaction to He, addition reactions of HF to C2H4 and C2H2, hydrogen abstraction reactions of NH3+ from HF and NH3. Valence electrons possess their unique delocalized drop region remote from those heavily localized drop regions adhered to core electrons. The kinetic energy density nT(r⃗) and the tension density τ⃗S(r⃗) can vividly demonstrate the formation of the chemical bond. Various basic chemical concepts in these chemical reaction systems have been clearly visualized in real three-dimensional space.

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.

Evaluation of effective energy for QA and QC: measurement of half-value layer using radiochromic film density.

PubMed

Gotanda, T; Katsuda, T; Gotanda, R; Tabuchi, A; Yamamoto, K; Kuwano, T; Yatake, H; Takeda, Y

2009-03-01

The effective energy of diagnostic X-rays is important for quality assurance (QA) and quality control (QC). However, the half-value layer (HVL), which is necessary to evaluate the effective energy, is not ubiquitously monitored because ionization-chamber dosimetry is time-consuming and complicated. To verify the applicability of GAFCHROMIC XR type R (GAF-R) film for HVL measurement as an alternative to monitoring with an ionization chamber, a single-strip method for measuring the HVL has been evaluated. Calibration curves of absorbed dose versus film density were generated using this single-strip method with GAF-R film, and the coefficient of determination (r2) of the straight-line approximation was evaluated. The HVLs (effective energies) estimated using the GAF-R film and an ionization chamber were compared. The coefficient of determination (r2) of the straight-line approximation obtained with the GAF-R film was more than 0.99. The effective energies (HVLs) evaluated using the GAF-R film and the ionization chamber were 43.25 keV (5.10 mm) and 39.86 keV (4.45 mm), respectively. The difference in the effective energies determined by the two methods was thus 8.5%. These results suggest that GAF-R might be used to evaluate the effective energy from the film-density growth without the need for ionization-chamber measurements.

Influence of nutrition and lifestyle on bone mineral density in children from adoptive and biological families.

PubMed

Cvijetic, Selma; Baric, Irena Colic; Satalic, Zvonimir; Keser, Irena; Bobic, Jasminka

2014-01-01

The precise contributions of hereditary and environmental factors to bone density are not known. We compared lifestyle predictors of bone density among adopted and biological children. The study comprised 18 adopted children (mean [SD] age, 14.0 [4.1] years) with their non-biological parents and 17 children with their biological parents. Bone mineral density (BMD; g/cm(2)) was measured at the lumbar spine, total femur, and distal radius. Nutritional intake was assessed by food frequency questionnaire. Information on smoking and physical activity was obtained by questionnaire. Intakes of all nutrients, corrected for energy intake, and all lifestyle characteristics except sleep duration were similar in biological children and their parents. As compared with their parents, adopted children had significantly different energy, protein, and calcium intakes and physical activity levels. In a regression model, BMD z scores of adopted children and their parents were significantly inversely associated at the spine and total femur, whereas BMD z scores of biological children and their parents were significantly positively associated at all measurement sites. The greatest proportion of total variance in BMD was accounted for by calcium intake among adopted children and by parental BMD among biological children. For some lifestyle characteristics and nutrient intakes, the differences between parents and children were more obvious among adoptive families than among biological families. The most important lifestyle predictor of bone density was calcium intake.

DFT benchmark study for the oxidative addition of CH 4 to Pd. Performance of various density functionals

NASA Astrophysics Data System (ADS)

de Jong, G. Theodoor; Geerke, Daan P.; Diefenbach, Axel; Matthias Bickelhaupt, F.

2005-06-01

We have evaluated the performance of 24 popular density functionals for describing the potential energy surface (PES) of the archetypal oxidative addition reaction of the methane C-H bond to the palladium atom by comparing the results with our recent ab initio [CCSD(T)] benchmark study of this reaction. The density functionals examined cover the local density approximation (LDA), the generalized gradient approximation (GGA), meta-GGAs as well as hybrid density functional theory. Relativistic effects are accounted for through the zeroth-order regular approximation (ZORA). The basis-set dependence of the density-functional-theory (DFT) results is assessed for the Becke-Lee-Yang-Parr (BLYP) functional using a hierarchical series of Slater-type orbital (STO) basis sets ranging from unpolarized double-ζ (DZ) to quadruply polarized quadruple-ζ quality (QZ4P). Stationary points on the reaction surface have been optimized using various GGA functionals, all of which yield geometries that differ only marginally. Counterpoise-corrected relative energies of stationary points are converged to within a few tenths of a kcal/mol if one uses the doubly polarized triple-ζ (TZ2P) basis set and the basis-set superposition error (BSSE) drops to 0.0 kcal/mol for our largest basis set (QZ4P). Best overall agreement with the ab initio benchmark PES is achieved by functionals of the GGA, meta-GGA, and hybrid-DFT type, with mean absolute errors of 1.3-1.4 kcal/mol and errors in activation energies ranging from +0.8 to -1.4 kcal/mol. Interestingly, the well-known BLYP functional compares very reasonably with an only slightly larger mean absolute error of 2.5 kcal/mol and an underestimation by -1.9 kcal/mol of the overall barrier (i.e., the difference in energy between the TS and the separate reactants). For comparison, with B3LYP we arrive at a mean absolute error of 3.8 kcal/mol and an overestimation of the overall barrier by 4.5 kcal/mol.

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.

Comparative assessment of button cells using a normalized index for potential pollution by heavy metals.

PubMed

Moreno-Merino, Luis; Jiménez-Hernández, Maria Emilia; de la Losa, Almudena; Huerta-Muñoz, Virginia

2015-09-01

Many household batteries worldwide still end up in landfills or are incinerated due to inefficient collection and recycling schemes. Toxic heavy metals from improperly discarded button cells pose a serious risk to human health and the environment, as they can pollute air, soil and water. This paper analyses a series of button cells selected from batteries available on the retail market, and compares their polluting potential. A total of 64 batteries were subjected to chemical analyses of 19 elements - including metals and metalloids - , and energy density measurements. The samples were from four different brands of each of the four most common button cell technologies (alkaline, zinc-air, silver oxide and lithium). An energy-normalized index - the Weighted Potential Pollution Index (WPPI) - was proposed to compare the polluting potential of the different batteries. The higher the battery WPPI score, the greater the content in toxic elements and the lower the energy output. The results of the chemical composition and energy density varied depending on the construction technology of the button cells. However, significant differences in both variables were also found when comparing different brands within the same technology. The differences in WPPI values confirmed the existence of a significant margin to reduce the environmental impact of discarded button cells simply by avoiding the most polluting options. The choice of the battery with the most favourable WPPI produced a reduction in potential pollution of 3-53% for silver oxide batteries, 4-39% for alkaline, 20-28% for zinc-air and 12-26% for lithium. Comparative potential pollution could be assessed when selecting batteries using an energy-normalized index such as WPPI to reduce the environmental impact of improperly disposed button cells. Published by Elsevier B.V.

Comparative studies on molecular structure, vibrational spectra and hyperpolarizabilies of NLO chromophore Ethyl 4-Dimethylaminobenzoate

NASA Astrophysics Data System (ADS)

Amalanathan, M.; Jasmine, G. Femina; Roy, S. Dawn Dharma

2017-08-01

The molecular structure, vibrational spectra and polarizabilities of Ethyl 4-Dimethylaminobenzoate (EDAB) was investigated by density functional theory employing Becke's three parameter hybrid exchange functional with Lee-Yang-Parr (B3LYP) co-relational functional involving 6-311++G(d,p) basis set and compared with some other levels. A detailed interpretation of the IR and Raman spectra of EDBA have been reported and analyzed. Complete vibrational assignments of the vibrational modes have been done on the basis of the potential energy distribution (TED) using VEDA software. The molecular electrostatic potential mapped onto total density surface has been obtained. A study on the electronic properties, such as absorption wavelength, and frontier molecular orbitals energy, was performed using DFT approach. The stability of the molecule arising from hyper conjugative interactions and accompanying charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The natural and Mulliken charge also calculated and compared with different level of calculation. The dipole moment, polarizability and first, second order hyperpolarizabilities of the title molecule were calculated and compared with the experimental values. The energy gap between frontier orbitals has been used along with electric moments and first order hyperpolarizability, to understand the non linear optical (NLO) activity of the molecule. The NLO activity of molecule was confirmed by SHG analysis.

Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4-

NASA Astrophysics Data System (ADS)

Sharma, Prachi; Truhlar, Donald G.; Gagliardi, Laura

2018-03-01

The electronic spectrum of permanganate ions contains various highly multiconfigurational ligand-to-metal charge transfer states and is notorious for being one of the most challenging systems to be treated by quantum-chemical methods. Here we studied the lowest nine vertical excitation energies using restricted active space second-order perturbation theory (RASPT2) and multiconfiguration pair-density functional theory (MC-PDFT) to test and compare these two theories in computing such a challenging spectrum. The results are compared to literature data, including time-dependent density functional theory, completely renormalized equation-of-motion couple-cluster theory with single and double excitations, symmetry-adapted-cluster configuration interaction, and experimental spectra in the gas phase and solution. Our results show that MC-PDFT accurately predicts the spectrum at a significantly reduced cost as compared to RASPT2.

Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4.

PubMed

Sharma, Prachi; Truhlar, Donald G; Gagliardi, Laura

2018-03-28

The electronic spectrum of permanganate ions contains various highly multiconfigurational ligand-to-metal charge transfer states and is notorious for being one of the most challenging systems to be treated by quantum-chemical methods. Here we studied the lowest nine vertical excitation energies using restricted active space second-order perturbation theory (RASPT2) and multiconfiguration pair-density functional theory (MC-PDFT) to test and compare these two theories in computing such a challenging spectrum. The results are compared to literature data, including time-dependent density functional theory, completely renormalized equation-of-motion couple-cluster theory with single and double excitations, symmetry-adapted-cluster configuration interaction, and experimental spectra in the gas phase and solution. Our results show that MC-PDFT accurately predicts the spectrum at a significantly reduced cost as compared to RASPT2.

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.

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

NASA Astrophysics Data System (ADS)

Tsiklauri, David

2016-12-01

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

Role of radial nonuniformities in the interaction of an intense laser with atomic clusters

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

Holkundkar, Amol R.; Gupta, N. K.

A model for the interaction of an intense laser with atomic clusters is presented. The model takes into account the spatial nonuniformities of the cluster as it evolves in time. The cluster is treated as a stratified sphere having an arbitrary number of layers. Electric and magnetic fields are obtained by solving the vector Helmholtz equation coupled with one-dimensional Lagrangian hydrodynamics. Results are compared with the uniform density nanoplasma model. Enhancement in the amount of energy absorbed is seen over the uniform density model. In some cases the absorbed energy increases by as much as a factor of 40.

Study, selection, and preparation of solid cationic conductors. [characteristics of solid electrolytes for rechargeable high energy and high power density batteries

NASA Technical Reports Server (NTRS)

Roth, W. L.; Muller, O.

1974-01-01

Crystal chemical principles and transport theory have been used to predict structures and specific compounds which might find application as solid electrolytes in rechargeable high energy and high power density batteries operating at temperatures less than 200 C. Structures with 1-, 2-, and 3-dimensional channels were synthesized and screened by nuclear magnetic resonance, dielectric loss, and conductivity. There is significant conductivity at room temperature in some of the materials but none attain a level that is comparable to beta-alumina. Microwave and fast pulse methods were developed to measure conductivity in powders and in small crystals.

Application of Density Functional Theory to Systems Containing Metal Atoms

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.

2006-01-01

The accuracy of density functional theory (DFT) for problems involving metal atoms is considered. The DFT results are compared with experiment as well as results obtained using the coupled cluster approach. The comparisons include geometries, frequencies, and bond energies. The systems considered include MO2, M(OH)+n, MNO+, and MCO+2. The DFT works well for frequencies and geometries, even in case with symmetry breaking; however, some examples have been found where the symmetry breaking is quite severe and the DFT methods do not work well. The calculation of bond energies is more difficult and examples of successes as well as failures of DFT will be given.

The first principles study of elastic and thermodynamic properties of ZnSe

NASA Astrophysics Data System (ADS)

Khatta, Swati; Kaur, Veerpal; Tripathi, S. K.; Prakash, Satya

2018-05-01

The elastic and thermodynamic properties of ZnSe are investigated using thermo_pw package implemented in Quantum espresso code within the framework of density functional theory. The pseudopotential method within the local density approximation is used for the exchange-correlation potential. The physical parameters of ZnSe bulk modulus and shear modulus, anisotropy factor, Young's modulus, Poisson's ratio, Pugh's ratio and Frantsevich's ratio are calculated. The sound velocity and Debye temperature are obtained from elastic constant calculations. The Helmholtz free energy and internal energy of ZnSe are also calculated. The results are compared with available theoretical calculations and experimental data.

Nonrelativistic approaches derived from point-coupling relativistic models

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

Lourenco, O.; Dutra, M.; Delfino, A.

2010-03-15

We construct nonrelativistic versions of relativistic nonlinear hadronic point-coupling models, based on new normalized spinor wave functions after small component reduction. These expansions give us energy density functionals that can be compared to their relativistic counterparts. We show that the agreement between the nonrelativistic limit approach and the Skyrme parametrizations becomes strongly dependent on the incompressibility of each model. We also show that the particular case A=B=0 (Walecka model) leads to the same energy density functional of the Skyrme parametrizations SV and ZR2, while the truncation scheme, up to order {rho}{sup 3}, leads to parametrizations for which {sigma}=1.

An Efficient and Effective Design of InP Nanowires for Maximal Solar Energy Harvesting.

PubMed

Wu, Dan; Tang, Xiaohong; Wang, Kai; He, Zhubing; Li, Xianqiang

2017-11-25

Solar cells based on subwavelength-dimensions semiconductor nanowire (NW) arrays promise a comparable or better performance than their planar counterparts by taking the advantages of strong light coupling and light trapping. In this paper, we present an accurate and time-saving analytical design for optimal geometrical parameters of vertically aligned InP NWs for maximal solar energy absorption. Short-circuit current densities are calculated for each NW array with different geometrical dimensions under solar illumination. Optimal geometrical dimensions are quantitatively presented for single, double, and multiple diameters of the NW arrays arranged both squarely and hexagonal achieving the maximal short-circuit current density of 33.13 mA/cm 2 . At the same time, intensive finite-difference time-domain numerical simulations are performed to investigate the same NW arrays for the highest light absorption. Compared with time-consuming simulations and experimental results, the predicted maximal short-circuit current densities have tolerances of below 2.2% for all cases. These results unambiguously demonstrate that this analytical method provides a fast and accurate route to guide high performance InP NW-based solar cell design.

An Efficient and Effective Design of InP Nanowires for Maximal Solar Energy Harvesting

NASA Astrophysics Data System (ADS)

Wu, Dan; Tang, Xiaohong; Wang, Kai; He, Zhubing; Li, Xianqiang

2017-11-01

Solar cells based on subwavelength-dimensions semiconductor nanowire (NW) arrays promise a comparable or better performance than their planar counterparts by taking the advantages of strong light coupling and light trapping. In this paper, we present an accurate and time-saving analytical design for optimal geometrical parameters of vertically aligned InP NWs for maximal solar energy absorption. Short-circuit current densities are calculated for each NW array with different geometrical dimensions under solar illumination. Optimal geometrical dimensions are quantitatively presented for single, double, and multiple diameters of the NW arrays arranged both squarely and hexagonal achieving the maximal short-circuit current density of 33.13 mA/cm2. At the same time, intensive finite-difference time-domain numerical simulations are performed to investigate the same NW arrays for the highest light absorption. Compared with time-consuming simulations and experimental results, the predicted maximal short-circuit current densities have tolerances of below 2.2% for all cases. These results unambiguously demonstrate that this analytical method provides a fast and accurate route to guide high performance InP NW-based solar cell design.

Gain and energy storage in holmium YLF

NASA Technical Reports Server (NTRS)

Storm, Mark E.; Deyst, John P.

1991-01-01

It is demonstrated that Q-switched holmium lasers are capable of high-gain and high-energy operation at 300 K. Small-signal gain coefficients of 0.50 and 0.12/cm have been measured in YLF and YAG, respectively. Small-signal gains of 0.50/cm are comparable to those achievable in Nd:YAG and are not typical of low-gain materials. This large gain in the Ho:YLF material is made possible by operating the amplifier in the ground state depletion mode. The amplifier performance data and associated analysis presented demonstrate that efficient energy storage is possible with very high excited state ion densities of the Ho 5I7 upper laser level. This is an important result since upconversion can limit the 5I7 population. Although upconversion was still present in this experiment, it was possible to achieve efficient energy storage, demonstrating that the problem is manageable even at high excitation densities in YLF.

Development of indirect EFBEM for radiating noise analysis including underwater problems

NASA Astrophysics Data System (ADS)

Kwon, Hyun-Wung; Hong, Suk-Yoon; Song, Jee-Hun

2013-09-01

For the analysis of radiating noise problems in medium-to-high frequency ranges, the Energy Flow Boundary Element Method (EFBEM) was developed. EFBEM is the analysis technique that applies the Boundary Element Method (BEM) to Energy Flow Analysis (EFA). The fundamental solutions representing spherical wave property for radiating noise problems in open field and considering the free surface effect in underwater are developed. Also the directivity factor is developed to express wave's directivity patterns in medium-to-high frequency ranges. Indirect EFBEM by using fundamental solutions and fictitious source was applied to open field and underwater noise problems successfully. Through numerical applications, the acoustic energy density distributions due to vibration of a simple plate model and a sphere model were compared with those of commercial code, and the comparison showed good agreement in the level and pattern of the energy density distributions.

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

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

First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

NASA Astrophysics Data System (ADS)

Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

2018-04-01

Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

Method to produce durable pellets at lower energy consumption using high moisture corn stover and a corn starch binder in a flat die pellet mill

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

Tumuluru, Jaya Shankar; Conner, Craig C.; Hoover, Amber N.

Biomass from plants can serve as an alternative renewable energy resources for energy production. Low densities of 40–60 kg/m3 for ground lignocellulosic biomass like corn stover limit its operation for energy purposes. The common drawbacks are inefficient transportation, a bigger storage foot print, and handling problems. Densification of biomass using pellet mill helps to overcome these limitations. This study helps to understand the effect of binder on high moisture biomass with a focus on the quality (density and durability), the pelleting efficiency and the specific energy consumption of its pelleting process. Raw corn stover was pelleted at high moisture ofmore » 33% (w.b.) at both varying preheating temperatures and binder percentage. The die speed of the pellet mill was set at 60Hz. The pellets produced were analyzed and showed higher moisture content. They were further dried in a laboratory oven at 70°C for 3-4 hr bringing the pellet moisture to <9%. The dried pellets were evaluated for their physical properties like unit, bulk and tapped density, and durability. Furthermore, the results indicated increasing the binder percentage to 4% improved the physical properties of the pellets and reduced the specific energy consumption. Higher binder addition of 4% reduced the feedstock moisture loss during pelleting to <4%, which can be due reduced residence time of the material in the die. On the other hand the physical properties like density and durability improved significantly with binder addition. At 4% binder and 33% feedstock moisture content, the bulk density and durability values observed were >510 kg/m3 and >98% and the percent fines generation has reduced to <3%. Also at these conditions the specific energy consumption was reduced by about 30-40% compared no binder pelleting test.« less

Method to produce durable pellets at lower energy consumption using high moisture corn stover and a corn starch binder in a flat die pellet mill

DOE PAGES

Tumuluru, Jaya Shankar; Conner, Craig C.; Hoover, Amber N.

2016-06-15

Biomass from plants can serve as an alternative renewable energy resources for energy production. Low densities of 40–60 kg/m3 for ground lignocellulosic biomass like corn stover limit its operation for energy purposes. The common drawbacks are inefficient transportation, a bigger storage foot print, and handling problems. Densification of biomass using pellet mill helps to overcome these limitations. This study helps to understand the effect of binder on high moisture biomass with a focus on the quality (density and durability), the pelleting efficiency and the specific energy consumption of its pelleting process. Raw corn stover was pelleted at high moisture ofmore » 33% (w.b.) at both varying preheating temperatures and binder percentage. The die speed of the pellet mill was set at 60Hz. The pellets produced were analyzed and showed higher moisture content. They were further dried in a laboratory oven at 70°C for 3-4 hr bringing the pellet moisture to <9%. The dried pellets were evaluated for their physical properties like unit, bulk and tapped density, and durability. Furthermore, the results indicated increasing the binder percentage to 4% improved the physical properties of the pellets and reduced the specific energy consumption. Higher binder addition of 4% reduced the feedstock moisture loss during pelleting to <4%, which can be due reduced residence time of the material in the die. On the other hand the physical properties like density and durability improved significantly with binder addition. At 4% binder and 33% feedstock moisture content, the bulk density and durability values observed were >510 kg/m3 and >98% and the percent fines generation has reduced to <3%. Also at these conditions the specific energy consumption was reduced by about 30-40% compared no binder pelleting test.« less

Rating aircraft on energy

NASA Technical Reports Server (NTRS)

Maddalon, D. V.

1974-01-01

Questions concerning the energy efficiency of aircraft compared to ground transport are considered, taking into account as energy intensity the energy consumed per passenger statute mile. It is found that today's transport aircraft have an energy intensity potential comparable to that of ground modes. Possibilities for improving the energy density are also much better in the case of aircraft than in the case of ground transportation. Approaches for potential reductions in aircraft energy consumption are examined, giving attention to steps for increasing the efficiency of present aircraft and to reductions in energy intensity obtainable by the introduction of new aircraft utilizing an advanced technology. The use of supercritical aerodynamics is discussed along with the employment of composite structures, advances in propulsion systems, and the introduction of very large aircraft. Other improvements in fuel economy can be obtained by a reduction of skin-friction drag and a use of hydrogen fuel.

Centrality dependence of the pseudorapidity density distribution for charged particles in Pb-Pb collisions at √{sNN} = 5.02 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, S.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; An, M.; Andrei, C.; Andrews, H. A.; Andronic, A.; Anguelov, V.; Anson, C.; Antičić, T.; Antinori, F.; Antonioli, P.; Anwar, R.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barioglio, L.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Boldizsár, L.; Bombara, M.; Bonora, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Botta, E.; Bourjau, C.; Braun-Munzinger, P.; Bregant, M.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buhler, P.; Buitron, S. A. I.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Caines, H.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Capon, A. A.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Ceballos Sanchez, C.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, S.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crkovská, J.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Conti, C.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; de Souza, R. D.; Degenhardt, H. F.; Deisting, A.; Deloff, A.; Deplano, C.; Dhankher, P.; di Bari, D.; di Mauro, A.; di Nezza, P.; di Ruzza, B.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Duggal, A. K.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erhardt, F.; Espagnon, B.; Esumi, S.; Eulisse, G.; Eum, J.; Evans, D.; Evdokimov, S.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Francisco, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gajdosova, K.; Gallio, M.; Galvan, C. D.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Garg, K.; Garg, P.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Gay Ducati, M. B.; Germain, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, A. S.; Gonzalez, V.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Greiner, L.; Grelli, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grion, N.; Gronefeld, J. M.; Grosa, F.; Grosse-Oetringhaus, J. F.; Grosso, R.; Gruber, L.; Grull, F. R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Gupta, R.; Guzman, I. B.; Haake, R.; Hadjidakis, C.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Harris, J. W.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Hellbär, E.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Herrmann, F.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hippolyte, B.; Hladky, J.; Horak, D.; Hosokawa, R.; Hristov, P.; Hughes, C.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Inaba, M.; Ippolitov, M.; Irfan, M.; Isakov, V.; Islam, M. S.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacak, B.; Jacazio, N.; Jacobs, P. M.; Jadhav, M. B.; Jadlovska, S.; Jadlovsky, J.; Jahnke, C.; Jakubowska, M. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jercic, M.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Mohisin Khan, M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Khatun, A.; Khuntia, A.; Kielbowicz, M. M.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.; Kim, H.; Kim, J. S.; Kim, J.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kuhn, C.; Kuijer, P. G.; Kumar, A.; Kumar, J.; Kumar, L.; Kumar, S.; Kundu, S.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lapidus, K.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lavicka, R.; Lazaridis, L.; Lea, R.; Leardini, L.; Lee, S.; Lehas, F.; Lehner, S.; Lehrbach, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Litichevskyi, V.; Ljunggren, H. M.; Llope, W. J.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Loncar, P.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Lupi, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martinengo, P.; Martinez, J. A. L.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Mastroserio, A.; Mathis, A. M.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzilli, M.; Mazzoni, M. A.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Mhlanga, S.; Miake, Y.; Mieskolainen, M. M.; Mihaylov, D.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Mishra, T.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Montes, E.; Moreira de Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Münning, K.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Myers, C. J.; Naik, B.; Nair, R.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Natal da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Negrao de Oliveira, R. A.; Nellen, L.; Nesbo, S. V.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Ohlson, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Oravec, M.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pacik, V.; Pagano, D.; Pagano, P.; Paić, G.; Pal, S. K.; Palni, P.; Pan, J.; Pandey, A. K.; Panebianco, S.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, J.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.; Peng, X.; Pereira, L. G.; Pereira da Costa, H.; Peresunko, D.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Pezzi, R. P.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Poppenborg, H.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Pozdniakov, V.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Rana, D. B.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Ratza, V.; Ravasenga, I.; Read, K. F.; Redlich, K.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Saarinen, S.; Sadhu, S.; Sadovsky, S.; Šafařík, K.; Saha, S. K.; Sahlmuller, B.; Sahoo, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sandoval, A.; Sarkar, D.; Sarkar, N.; Sarma, P.; Sas, M. H. P.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schmidt, M. O.; Schmidt, M.; Schukraft, J.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Šefčík, M.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Senyukov, S.; Serradilla, E.; Sett, P.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, A.; Sharma, M.; Sharma, M.; Sharma, N.; Sheikh, A. I.; Shigaki, K.; Shou, Q.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singhal, V.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Song, J.; Song, M.; Soramel, F.; Sorensen, S.; Sozzi, F.; Spiriti, E.; Sputowska, I.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stankus, P.; Stenlund, E.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Suljic, M.; Sultanov, R.; Šumbera, M.; Sumowidagdo, S.; Suzuki, K.; Swain, S.; Szabo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thakur, D.; Thakur, S.; Thomas, D.; Tieulent, R.; Tikhonov, A.; Timmins, A. R.; Toia, A.; Tripathy, S.; Trogolo, S.; Trombetta, G.; Trubnikov, V.; Trzaska, W. H.; Trzeciak, B. A.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Umaka, E. N.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vala, M.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vázquez Doce, O.; Vechernin, V.; Veen, A. M.; Velure, A.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Vértesi, R.; Vickovic, L.; Vigolo, S.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Villatoro Tello, A.; Vinogradov, A.; Vinogradov, L.; Virgili, T.; Vislavicius, V.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Voscek, D.; Vranic, D.; Vrláková, J.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Weiser, D. F.; Wessels, J. P.; Westerhoff, U.; Whitehead, A. M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Willems, G. A.; Williams, M. C. S.; Windelband, B.; Witt, W. E.; Yalcin, S.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yoon, J. H.; Yurchenko, V.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zimmermann, S.; Zinovjev, G.; Zmeskal, J.; Alice Collaboration

2017-09-01

We present the charged-particle pseudorapidity density in Pb-Pb collisions at √{sNN} = 5.02 TeV in centrality classes measured by ALICE. The measurement covers a wide pseudorapidity range from -3.5 to 5, which is sufficient for reliable estimates of the total number of charged particles produced in the collisions. For the most central (0-5%) collisions we find 21 400 ± 1 300, while for the most peripheral (80-90%) we find 230 ± 38. This corresponds to an increase of (27 ± 4)% over the results at √{sNN} = 2.76 TeV previously reported by ALICE. The energy dependence of the total number of charged particles produced in heavy-ion collisions is found to obey a modified power-law like behaviour. The charged-particle pseudorapidity density of the most central collisions is compared to model calculations - none of which fully describes the measured distribution. We also present an estimate of the rapidity density of charged particles. The width of that distribution is found to exhibit a remarkable proportionality to the beam rapidity, independent of the collision energy from the top SPS to LHC energies.

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.

Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach

PubMed Central

2014-01-01

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y7P, a5S, and y5P excited states. The necessary Cr–He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z7P ← a7S, y7P ← a7S, z5P ← a5S, and y5P ← a5S are compared to recent fluorescence and photoionization experiments. PMID:24906160

Mechanical properties in crumple-formed paper derived materials subjected to compression.

PubMed

Hanaor, D A H; Flores Johnson, E A; Wang, S; Quach, S; Dela-Torre, K N; Gan, Y; Shen, L

2017-06-01

The crumpling of precursor materials to form dense three dimensional geometries offers an attractive route towards the utilisation of minor-value waste materials. Crumple-forming results in a mesostructured system in which mechanical properties of the material are governed by complex cross-scale deformation mechanisms. Here we investigate the physical and mechanical properties of dense compacted structures fabricated by the confined uniaxial compression of a cellulose tissue to yield crumpled mesostructuring. A total of 25 specimens of various densities were tested under compression. Crumple formed specimens exhibited densities in the range 0.8-1.3 g cm -3 , and showed high strength to weight characteristics, achieving ultimate compressive strength values of up to 200 MPa under both quasi-static and high strain rate loading conditions and deformation energy that compares well to engineering materials of similar density. The materials fabricated in this work and their mechanical attributes demonstrate the potential of crumple-forming approaches in the fabrication of novel energy-absorbing materials from low-cost precursors such as recycled paper. Stiffness and toughness of the materials exhibit density dependence suggesting this forming technique further allows controllable impact energy dissipation rates in dynamic applications.

Solvation and spectral line shifts of chromium atoms in helium droplets based on a density functional theory approach.

PubMed

Ratschek, Martin; Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E

2014-08-21

The interaction of an electronically excited, single chromium (Cr) atom with superfluid helium nanodroplets of various size (10 to 2000 helium (He) atoms) is studied with helium density functional theory. Solvation energies and pseudo-diatomic potential energy surfaces are determined for Cr in its ground state as well as in the y(7)P, a(5)S, and y(5)P excited states. The necessary Cr-He pair potentials are calculated by standard methods of molecular orbital-based electronic structure theory. In its electronic ground state the Cr atom is found to be fully submerged in the droplet. A solvation shell structure is derived from fluctuations in the radial helium density. Electronic excitations of an embedded Cr atom are simulated by confronting the relaxed helium density (ρHe), obtained for Cr in the ground state, with interaction pair potentials of excited states. The resulting energy shifts for the transitions z(7)P ← a(7)S, y(7)P ← a(7)S, z(5)P ← a(5)S, and y(5)P ← a(5)S are compared to recent fluorescence and photoionization experiments.

Ionosphere and atmosphere of the moon in the geomagnetic tail

NASA Technical Reports Server (NTRS)

Daily, W. D.; Barker, W. A.; Parkin, C. W.; Clark, M.; Dyal, P.

1977-01-01

The paper presents calculations of the densities and energies of the various constituents of the lunar ionosphere during the time that the moon is in the geomagnetic tail; the surface concentrations of neon and argon are calculated from a theoretical model to be 3,900 and 1,700, respectively. It is found that a hydrostatic model of the ionospheric plasma is inadequate because the gravitational potential energy of the plasma is considerably smaller than its thermal energy. A hydrodynamic model, comparable to that used to describe the solar wind, is developed to obtain plasma densities and flow velocities as functions of altitude. The electromagnetic properties of the quiescent ionosphere are then investigated, and it is concluded that plasma effects on lunar induction can be neglected for quiescent conditions in the geomagnetic tail lobes.

Quasiparticle and hybrid density functional methods in defect studies: An application to the nitrogen vacancy in GaN

NASA Astrophysics Data System (ADS)

Lewis, D. K.; Matsubara, M.; Bellotti, E.; Sharifzadeh, S.

2017-12-01

Defects in semiconductors can play a vital role in the performance of electronic devices, with native defects often dominating the electronic properties of the semiconductor. Understanding the relationship between structural defects and electronic function will be central to the design of new high-performance materials. In particular, it is necessary to quantitatively understand the energy and lifetime of electronic states associated with the defect. Here, we apply first-principles density functional theory (DFT) and many-body perturbation theory within the GW approximation to understand the nature and energy of the defect states associated with a charged nitrogen vacancy on the electronic properties of gallium nitride (GaN), as a model of a well-studied and important wide gap semiconductor grown with defects. We systematically investigate the sources of error associated with the GW approximation and the role of the underlying atomic structure on the predicted defect state energies. Additionally, analysis of the computed electronic density of states (DOS) reveals that there is one occupied defect state 0.2 eV below the valence band maximum and three unoccupied defect states at energy of 0.2-0.4 eV above the conduction band minimum, suggesting that this defect in the +1 charge state will not behave as a carrier trap. Furthermore, we compare the character and energy of the defect state obtained from GW and DFT using the HSE approximate density functional and find excellent agreement. This systematic study provides a more complete understanding of how to obtain quantitative defect energy states in bulk semiconductors.

Comparison of Boltzmann and Gibbs entropies for the analysis of single-chain phase transitions

NASA Astrophysics Data System (ADS)

Shakirov, T.; Zablotskiy, S.; Böker, A.; Ivanov, V.; Paul, W.

2017-03-01

In the last 10 years, flat histogram Monte Carlo simulations have contributed strongly to our understanding of the phase behavior of simple generic models of polymers. These simulations result in an estimate for the density of states of a model system. To connect this result with thermodynamics, one has to relate the density of states to the microcanonical entropy. In a series of publications, Dunkel, Hilbert and Hänggi argued that it would lead to a more consistent thermodynamic description of small systems, when one uses the Gibbs definition of entropy instead of the Boltzmann one. The latter is the logarithm of the density of states at a certain energy, the former is the logarithm of the integral of the density of states over all energies smaller than or equal to this energy. We will compare the predictions using these two definitions for two polymer models, a coarse-grained model of a flexible-semiflexible multiblock copolymer and a coarse-grained model of the protein poly-alanine. Additionally, it is important to note that while Monte Carlo techniques are normally concerned with the configurational energy only, the microcanonical ensemble is defined for the complete energy. We will show how taking the kinetic energy into account alters the predictions from the analysis. Finally, the microcanonical ensemble is supposed to represent a closed mechanical N-particle system. But due to Galilei invariance such a system has two additional conservation laws, in general: momentum and angular momentum. We will also show, how taking these conservation laws into account alters the results.

A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage.

PubMed

Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P

2017-02-07

Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg -1 . The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density.

A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage

PubMed Central

Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P.

2017-01-01

Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg−1. The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density. PMID:28169329

Cobalt-Doped Nickel Phosphite for High Performance of Electrochemical Energy Storage.

PubMed

Li, Bing; Shi, Yuxin; Huang, Kesheng; Zhao, Mingming; Qiu, Jiaqing; Xue, Huaiguo; Pang, Huan

2018-03-01

Compared to single metallic Ni or Co phosphides, bimetallic Ni-Co phosphides own ameliorative properties, such as high electrical conductivity, remarkable rate capability, upper specific capacity, and excellent cycle performance. Here, a simple one-step solvothermal process is proposed for the synthesis of bouquet-like cobalt-doped nickel phosphite (Ni 11 (HPO 3 ) 8 (OH) 6 ), and the effect of the structure on the pseudocapacitive performance is investigated via a series of electrochemical measurements. It is found that when the cobalt content is low, the glycol/deionized water ratio is 1, and the reaction is under 200 °C for 20 h, the morphology of the sample is uniform and has the highest specific surface area. The cobalt-doped Ni 11 (HPO 3 ) 8 (OH) 6 electrode presents a maximum specific capacitance of 714.8 F g -1 . More significantly, aqueous and solid-state flexible electrochemical energy storage devices are successfully assembled. The aqueous device shows a high energy density of 15.48 mWh cm -2 at the power density of 0.6 KW cm -2 . The solid-state device shows a high energy density of 14.72 mWh cm -2 at the power density of 0.6 KW cm -2 . These excellent performances confirm that the cobalt-doped Ni 11 (HPO 3 ) 8 (OH) 6 are promising materials for applications in electrochemical energy storage devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series.

PubMed

Güssregen, Stefan; Matter, Hans; Hessler, Gerhard; Lionta, Evanthia; Heil, Jochen; Kast, Stefan M

2017-07-24

Water molecules play an essential role for mediating interactions between ligands and protein binding sites. Displacement of specific water molecules can favorably modulate the free energy of binding of protein-ligand complexes. Here, the nature of water interactions in protein binding sites is investigated by 3D RISM (three-dimensional reference interaction site model) integral equation theory to understand and exploit local thermodynamic features of water molecules by ranking their possible displacement in structure-based design. Unlike molecular dynamics-based approaches, 3D RISM theory allows for fast and noise-free calculations using the same detailed level of solute-solvent interaction description. Here we correlate molecular water entities instead of mere site density maxima with local contributions to the solvation free energy using novel algorithms. Distinct water molecules and hydration sites are investigated in multiple protein-ligand X-ray structures, namely streptavidin, factor Xa, and factor VIIa, based on 3D RISM-derived free energy density fields. Our approach allows the semiquantitative assessment of whether a given structural water molecule can potentially be targeted for replacement in structure-based design. Finally, PLS-based regression models from free energy density fields used within a 3D-QSAR approach (CARMa - comparative analysis of 3D RISM Maps) are shown to be able to extract relevant information for the interpretation of structure-activity relationship (SAR) trends, as demonstrated for a series of serine protease inhibitors.

Mass attenuation coefficient of tannin-added Rhizophora spp. particleboards at 16.59-25.56 keV photons, and 137Cs and 60Co gamma energies.

PubMed

Yusof, Mohd Fahmi Mohd; Hamid, Puteri Nor Khatijah Abd; Tajuddin, Abd Aziz; Hashim, Rokiah; Bauk, Sabar; Isa, Norriza Mohd; Isa, Muhammad Jamal Md

2017-09-01

The aim of this study was to determine the suitability of tannin-added Rhizophora spp. particleboards as phantom materials in the application of low- and high-energy photons. The tannin-added Rhizophora spp. particleboards and density plug phantoms were created with a target density of 1.0 g/cm 3 . The elemental composition and effective atomic number of the particleboards were measured using energy dispersive X-ray analysis. The mass attenuation coefficient of the particleboards for low-energy photons were measured using the attenuation of X-ray fluorescence. The mass attenuation coefficients of high-energy photons were measured using the attenuation of 137 Cs and 60 Co gamma energies. The results were compared to the calculated value of water using XCOM calculations. The results showed that the effective atomic number and mass attenuation coefficients of tannin-added Rhizophora spp. particleboards were similar to those of water, indicating the suitability of tannin-added Rhizophora spp. particleboards as phantom materials for low- and high-energy photons.

Charged-particle pseudorapidity distributions in Au+Au collisions at sNN=62.4 GeV

NASA Astrophysics Data System (ADS)

Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Busza, W.; Carroll, A.; Chai, Z.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Halliwell, C.; Hamblen, J.; Hauer, M.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Khan, N.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Reed, C.; Roland, C.; Roland, G.; Sagerer, J.; Seals, H.; Sedykh, I.; Smith, C. E.; Stankiewicz, M. A.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tonjes, M. B.; Trzupek, A.; Vale, C.; Nieuwenhuizen, G. J. Van; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wysłouch, B.

2006-08-01

The charged-particle pseudorapidity density for Au+Au collisions at sNN=62.4 GeV has been measured over a wide range of impact parameters and compared to results obtained at other energies. As a function of collision energy, the pseudorapidity distribution grows systematically both in height and width. The midrapidity density is found to grow approximately logarithmically between BNL Alternating Gradient Synchrotron (AGS) energies and the top BNL Relativistic Heavy Ion Collider (RHIC) energy. There is also an approximate factorization of the centrality and energy dependence of the midrapidity yields. The new results at sNN=62.4 GeV confirm the previously observed phenomenon of “extended longitudinal scaling” in the pseudorapidity distributions when viewed in the rest frame of one of the colliding nuclei. It is also found that the evolution of the shape of the distribution with centrality is energy independent, when viewed in this reference frame. As a function of centrality, the total charged particle multiplicity scales linearly with the number of participant pairs as it was observed at other energies.

Radiometric analysis of photographic data by the effective exposure method

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

Constantine, B J

1972-04-01

The effective exposure method provides for radiometric analysis of photographic data. A three-dimensional model, where density is a function of energy and wavelength, is postulated to represent the film response function. Calibration exposures serve to eliminate the other factors which affect image density. The effective exposure causing an image can be determined by comparing the image density with that of a calibration exposure. If the relative spectral distribution of the source is known, irradiance and/or radiance can be unfolded from the effective exposure expression.

Analysis of Electronic Densities and Integrated Doses in Multiform Glioblastomas Stereotactic Radiotherapy

NASA Astrophysics Data System (ADS)

Barón-Aznar, C.; Moreno-Jiménez, S.; Celis, M. A.; Lárraga-Gutiérrez, J. M.; Ballesteros-Zebadúa, P.

2008-08-01

Integrated dose is the total energy delivered in a radiotherapy target. This physical parameter could be a predictor for complications such as brain edema and radionecrosis after stereotactic radiotherapy treatments for brain tumors. Integrated Dose depends on the tissue density and volume. Using CT patients images from the National Institute of Neurology and Neurosurgery and BrainScansoftware, this work presents the mean density of 21 multiform glioblastomas, comparative results for normal tissue and estimated integrated dose for each case. The relationship between integrated dose and the probability of complications is discussed.

Extended screened exchange functional derived from transcorrelated density functional theory.

PubMed

Umezawa, Naoto

2017-09-14

We propose a new formulation of the correlation energy functional derived from the transcorrelated method in use in density functional theory (TC-DFT). An effective Hamiltonian, H TC , is introduced by a similarity transformation of a many-body Hamiltonian, H, with respect to a complex function F: H TC =1FHF. It is proved that an expectation value of H TC for a normalized single Slater determinant, D n , corresponds to the total energy: E[n] = ⟨Ψ n |H|Ψ n ⟩/⟨Ψ n |Ψ n ⟩ = ⟨D n |H TC |D n ⟩ under the two assumptions: (1) The electron density nr associated with a trial wave function Ψ n = D n F is v-representable and (2) Ψ n and D n give rise to the same electron density nr. This formulation, therefore, provides an alternative expression of the total energy that is useful for the development of novel correlation energy functionals. By substituting a specific function for F, we successfully derived a model correlation energy functional, which resembles the functional form of the screened exchange method. The proposed functional, named the extended screened exchange (ESX) functional, is described within two-body integrals and is parametrized for a numerically exact correlation energy of the homogeneous electron gas. The ESX functional does not contain any ingredients of (semi-)local functionals and thus is totally free from self-interactions. The computational cost for solving the self-consistent-field equation is comparable to that of the Hartree-Fock method. We apply the ESX functional to electronic structure calculations for a solid silicon, H - ion, and small atoms. The results demonstrate that the TC-DFT formulation is promising for the systematic improvement of the correlation energy functional.

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

Spin diffusion in disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

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

DOE PAGES

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

2016-12-02

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

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

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

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

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

Microstructural Design for Stress Wave Energy Management

DTIC Science & Technology

2013-04-01

Polyurea based foam 7 4) Controlling transmission and reflection of pressure and shear waves in a multilayered anisotropic structure 10 5... Polyurea based foam consists of several factors including high energy absorption, light weight, higher elastic modulus to density ratio (compared with... Polyurea ), and collapsible voids under extreme loading. Pure Polyurea offers unique properties such as increased shear stiffness under large pressure

A phenomenological pulsar model

NASA Technical Reports Server (NTRS)

Michel, F. C.

1978-01-01

Particle injection energies and rates previously calculated for the stellar wind generation by rotating magnetized neutron stars are adopted. It is assumed that the ambient space-charge density being emitted to form this wind is bunched. These considerations immediately place the coherent radio frequency luminosity from such bunches near 10 to the 28th erg/s for typical pulsar parameters. A comparable amount of incoherent radiation is emitted for typical (1 second) pulsars. For very rapid pulsars, however, the latter component grows more rapidly than the available energy sources. The comparatively low radio luminosity of the Crab and Vela pulsars is attributed to both components being limited in the same ratio. The incoherent radiation essentially has a synchotron spectrum and extends to gamma-ray energies; consequently the small part of the total luminosity that is at optical wavelengths is unobservable. Assuming full coherence at all wavelengths short of a critical length gives a spectral index for the flux density of -8/3 at higher frequencies. The finite energy available from the injected particles would force the spectrum to roll over below about 100 MHz, although intrinsic morphological factors probably enter for any specific pulsar as well.

Manganese-enriched electrochemistry of LiFePO4/RGO nanohybrid for aqueous energy storage

NASA Astrophysics Data System (ADS)

Rossouw, Claire A.; Raju, Kumar; Zheng, Haitao; Ozoemena, Kenneth I.

2017-07-01

Manganese-doped lithium iron phosphate (LFMP) integrated with reduced graphene oxide (RGO) has been prepared via microwave-assisted synthesis and investigated as lithium-ion energy storage system in aqueous Li2SO4 electrolyte. The doping of the LFP was achieved with a low-cost commercial electrolytic manganese oxide (EMD) precursor using a microwave-assisted solvothermal technique. When compared to the undoped counterpart (LFP/RGO), obtained under similar experimental conditions, the LFMP/RGO nanohybrid showed an improved electrochemical performance. The LFMP/RGO gave a maximum areal capacitance of ca. 39.48 mF cm-2, power density of 70.3 mW cm-2 and energy density of 8 mWh cm-2 compared to the values for the pristine complex (LFP/RGO); ca. 16.85 mF cm-2, 54.4 mW cm-2 and 4.8 mWh cm-2. In addition, when the two types of electrochemical storage systems were subjected to voltage-holding (floating) experiment for 50 h, LFMP/RGO maintained 98% capacitance retention while LFP/G maintained 94% capacitance retention. The findings in this work prove that Mn-doping is capable of enhancing the electrochemical performance of the LFP material for energy storage.

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.

Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid

NASA Astrophysics Data System (ADS)

Karaca, Caglar; Atac, Ahmet; Karabacak, Mehmet

2015-02-01

In this study, 5-iodosalicylic acid (5-ISA, C7H5IO3) is structurally characterized by FT-IR, FT-Raman, NMR and UV spectroscopies. There are eight conformers, Cn, n = 1-8 for this molecule therefore the molecular geometry for these eight conformers in the ground state are calculated by using the ab-initio density functional theory (DFT) B3LYP method approach with the aug-cc-pVDZ-PP basis set for iodine and the aug-cc-pVDZ basis set for the other elements. The computational results identified that the most stable conformer of 5-ISA is the C1 form. The vibrational spectra are calculated DFT method invoking the same basis sets and fundamental vibrations are assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method with PQS program. Total density of state (TDOS) and partial density of state (PDOS) and also overlap population density of state (COOP or OPDOS) diagrams analysis for C1 conformer were calculated using the same method. The energy and oscillator strength are calculated by time-dependent density functional theory (TD-DFT) results complement with the experimental findings. Besides, charge transfer occurring in the molecule between HOMO and LUMO energies, frontier energy gap, molecular electrostatic potential (MEP) are calculated and presented. The NMR chemical shifts (1H and 13C) spectra are recorded and calculated using the gauge independent atomic orbital (GIAO) method. Mulliken atomic charges of the title molecule are also calculated, interpreted and compared with salicylic acid. The optimized bond lengths, bond angles and calculated NMR and UV, vibrational wavenumbers showed the best agreement with the experimental results.

The X-ray attenuation characteristics and density of human calcaneal marrow do not change significantly during adulthood

NASA Technical Reports Server (NTRS)

Les, C. M.; Whalen, R. T.; Beaupre, G. S.; Yan, C. H.; Cleek, T. M.; Wills, J. S.

2002-01-01

Changes in the material characteristics of bone marrow with aging can be a significant source of error in measurements of bone density when using X-ray and ultrasound imaging modalities. In the context of computed tomography, dual-energy computed techniques have been used to correct for changes in marrow composition. However, dual-energy quantitative computed tomography (DE-QCT) protocols, while increasing the accuracy of the measurement, reduce the precision and increase the radiation dose to the patient in comparison to single-energy quantitative computed tomography (SE-QCT) protocols. If the attenuation properties of the marrow for a particular bone can be shown to be relatively constant with age, it should be possible to use single-energy techniques without experiencing errors caused by unknown marrow composition. Marrow was extracted by centrifugation from 10 mm thick frontal sections of 34 adult cadaver calcanei (28 males, 6 females, ages 17-65 years). The density and energy-dependent linear X-ray attenuation coefficient of each marrow sample were determined. For purposes of comparing our results, we then computed an effective CT number at two GE CT/i scan voltages (80 and 120 kVp) for each specimen. The coefficients of variation for the density, CT number at 80 kVp and CT number at 120 kVp were each less than 1%, and the parameters did not change significantly with age (p > 0.2, r2 < 0.02, power > 0.8 where the minimum acceptable r2 = 0.216). We could demonstrate no significant gender-associated differences in these relationships. These data suggest that calcaneal bone marrow X-ray attenuation properties and marrow density are essentially constant from the third through sixth decades of life.

Hydrogen production by geobacter species and a mixed consortium in a microbial electrolysis cell.

PubMed

Call, Douglas F; Wagner, Rachel C; Logan, Bruce E

2009-12-01

A hydrogen utilizing exoelectrogenic bacterium (Geobacter sulfurreducens) was compared to both a nonhydrogen oxidizer (Geobacter metallireducens) and a mixed consortium in order to compare the hydrogen production rates and hydrogen recoveries of pure and mixed cultures in microbial electrolysis cells (MECs). At an applied voltage of 0.7 V, both G. sulfurreducens and the mixed culture generated similar current densities (ca. 160 A/m3), resulting in hydrogen production rates of ca. 1.9 m(3) H2/m3/day, whereas G. metallireducens exhibited lower current densities and production rates of 110 +/- 7 A/m3 and 1.3 +/- 0.1 m3 H2/m3/day, respectively. Before methane was detected in the mixed-culture MEC, the mixed consortium achieved the highest overall energy recovery (relative to both electricity and substrate energy inputs) of 82% +/- 8% compared to G. sulfurreducens (77% +/- 2%) and G. metallireducens (78% +/- 5%), due to the higher coulombic efficiency of the mixed consortium. At an applied voltage of 0.4 V, methane production increased in the mixed-culture MEC and, as a result, the hydrogen recovery decreased and the overall energy recovery dropped to 38% +/- 16% compared to 80% +/- 5% for G. sulfurreducens and 76% +/- 0% for G. metallireducens. Internal hydrogen recycling was confirmed since the mixed culture generated a stable current density of 31 +/- 0 A/m3 when fed hydrogen gas, whereas G. sulfurreducens exhibited a steady decrease in current production. Community analysis suggested that G. sulfurreducens was predominant in the mixed-culture MEC (72% of clones) despite its relative absence in the mixed-culture inoculum obtained from a microbial fuel cell reactor (2% of clones). These results demonstrate that Geobacter species are capable of obtaining similar hydrogen production rates and energy recoveries as mixed cultures in an MEC and that high coulombic efficiencies in mixed culture MECs can be attributed in part to the recycling of hydrogen into current.

Fuel Pellets from Wheat Straw: The Effect of Lignin Glass Transition and Surface Waxes on Pelletizing Properties

Treesearch

Wolfgang Stelte; Craig Clemons; Jens K. Holm; Jesper Ahrenfeldt; Ulrik B. Henriksen; Anand R. Sanadi

2012-01-01

The utilization of wheat straw as a renewable energy resource is limited due to its low bulk density. Pelletizing wheat straw into fuel pellets of high density increases its handling properties but is more challenging compared to pelletizing wood biomass. Straw has a lower lignin content and a high concentration of hydrophobic waxes on its outer surface that may limit...

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.

PubMed

Grabowski, Ireneusz; Teale, Andrew M; Śmiga, Szymon; Bartlett, Rodney J

2011-09-21

The framework of ab initio density-functional theory (DFT) has been introduced as a way to provide a seamless connection between the Kohn-Sham (KS) formulation of DFT and wave-function based ab initio approaches [R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005)]. Recently, an analysis of the impact of dynamical correlation effects on the density of the neon atom was presented [K. Jankowski, K. Nowakowski, I. Grabowski, and J. Wasilewski, J. Chem. Phys. 130, 164102 (2009)], contrasting the behaviour for a variety of standard density functionals with that of ab initio approaches based on second-order Møller-Plesset (MP2) and coupled cluster theories at the singles-doubles (CCSD) and singles-doubles perturbative triples [CCSD(T)] levels. In the present work, we consider ab initio density functionals based on second-order many-body perturbation theory and coupled cluster perturbation theory in a similar manner, for a range of small atomic and molecular systems. For comparison, we also consider results obtained from MP2, CCSD, and CCSD(T) calculations. In addition to this density based analysis, we determine the KS correlation potentials corresponding to these densities and compare them with those obtained for a range of ab initio density functionals via the optimized effective potential method. The correlation energies, densities, and potentials calculated using ab initio DFT display a similar systematic behaviour to those derived from electronic densities calculated using ab initio wave function theories. In contrast, typical explicit density functionals for the correlation energy, such as VWN5 and LYP, do not show behaviour consistent with this picture of dynamical correlation, although they may provide some degree of correction for already erroneous explicitly density-dependent exchange-only functionals. The results presented here using orbital dependent ab initio density functionals show that they provide a treatment of exchange and correlation contributions within the KS framework that is more consistent with traditional ab initio wave function based methods.

Astrophysical S-factor of some (p, γ) Reactions

NASA Astrophysics Data System (ADS)

Naik, K. C.; Panda, R. N.; Quddus, A.; Patra, S. K.

2018-05-01

We have studied the important astrophysical S-factor for 36 known p-nuclei with (p, γ) reactions at low energy in the mass region A ≈ 74-196. This is done by folding the density-dependent M3Y (DDM3Y) interaction with spherical relativistic mean field (RMF) densities. The densities are obtained from different parameter sets such as G1, G2, NL1, NL2, NL3*, NL-SH, DD-ME1, DD-ME2 and DD-PC1. The independence of the S-factor on different densities is discussed and compared with experimental data and with NON-SMOKER calculations whenever available.

An efficient coordination protocol for wireless sensor networks

NASA Astrophysics Data System (ADS)

Paruchuri, Vamsi; Durresi, Arjan; Durresi, Mimoza; Barolli, Leonard

2005-10-01

Backbones infrastructures in wireless sensor networks reduce the communication overhead and energy consumption. In this paper, we present BackBone Routing (BBR), a fully distributed protocol for construction and rotation of backbone networks. BBR reduces energy consumption without significantly diminishing the capacity or connectivity of the network. Another key feature of BBR is its energy balancing nature by distributing the role of being Backbone Node among all the nodes. BBR builds on the observation that when a region of a shared-channel wireless network has a sufficient density of nodes, only a small number of them need be on at any time to forward traffic for active connections. Improvement in system lifetime due to BBR increases as the ratio of idle-to-sleep energy consumption increases, and increases as the density of the network increases. Our experiments show that BBR is more efficient in saving energy and extending network life without deteriorating network performance when compared with geographical shortest path routing.

Ion transport and loss in the earth's quiet ring current. I - Data and standard model

NASA Technical Reports Server (NTRS)

Sheldon, R. B.; Hamilton, D. C.

1993-01-01

A study of the transport and loss of ions in the earth's quiet time ring current, in which the standard radial diffusion model developed for the high-energy radiation belt particles is compared with the measurements of the lower-energy ring current ions, is presented. The data set provides ionic composition information in an energy range that includes the bulk of the ring current energy density, 1-300 keV/e. Protons are found to dominate the quiet time energy density at all altitudes, peaking near L of about 4 at 60 keV/cu cm, with much smaller contributions from O(+) (1-10 percent), He(+) (1-5 percent), and He(2+) (less than 1 percent). A minimization procedure is used to fit the amplitudes of the standard electric radial diffusion coefficient, yielding 5.8 x 10 exp -11 R(E-squared)/s. Fluctuation ionospheric electric fields are suggested as the source of the additional diffusion detected.

A Miniaturized 0.78-mW/cm2 Autonomous Thermoelectric Energy-Harvesting Platform for Biomedical Sensors.

PubMed

Rozgic, Dejan; Markovic, Dejan

2017-08-01

In order to use thermoelectric energy harvesters (TEHs) as a truly autonomous energy source for size-limited sensing applications, it is essential to improve the power conversion efficiency and energy density. This study presents a thin-film, array-based TEH with a surface area of 0.83 cm 2 . The TEH autonomously supplies a power management IC fabricated in a 65-nm CMOS technology. The IC utilizes a single-inductor topology with integrated analog maximum power point tracking (MPPT), resulting in a 68% peak end-to-end efficiency (92% converter efficiency) and less than 20-ms MPPT. In an in-vivo test, a 645-μW regulated output power (effective 3.5 K of temperature gradient) was harvested from a rat implanted with our TEH, demonstrating true energy independence in a real environment while showing a 7.9 × improvement in regulated power density compared to the state-of-the-art. The system showed autonomous operation down to 65-mV TEH input.

Noncovalent Interactions of DNA Bases with Naphthalene and Graphene.

PubMed

Cho, Yeonchoo; Min, Seung Kyu; Yun, Jeonghun; Kim, Woo Youn; Tkatchenko, Alexandre; Kim, Kwang S

2013-04-09

The complexes of a DNA base bound to graphitic systems are studied. Considering naphthalene as the simplest graphitic system, DNA base-naphthalene complexes are scrutinized at high levels of ab initio theory including coupled cluster theory with singles, doubles, and perturbative triples excitations [CCSD(T)] at the complete basis set (CBS) limit. The stacked configurations are the most stable, where the CCSD(T)/CBS binding energies of guanine, adenine, thymine, and cytosine are 9.31, 8.48, 8.53, 7.30 kcal/mol, respectively. The energy components are investigated using symmetry-adapted perturbation theory based on density functional theory including the dispersion energy. We compared the CCSD(T)/CBS results with several density functional methods applicable to periodic systems. Considering accuracy and availability, the optB86b nonlocal functional and the Tkatchenko-Scheffler functional are used to study the binding energies of nucleobases on graphene. The predicted values are 18-24 kcal/mol, though many-body effects on screening and energy need to be further considered.

Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.

PubMed

Totton, Tim S; Misquitta, Alston J; Kraft, Markus

2011-11-24

In this work we assess a recently published anisotropic potential for polycyclic aromatic hydrocarbon (PAH) molecules (J. Chem. Theory Comput. 2010, 6, 683-695). Comparison to recent high-level symmetry-adapted perturbation theory based on density functional theory (SAPT(DFT)) results for coronene (C(24)H(12)) demonstrate the transferability of the potential while highlighting some limitations with simple point charge descriptions of the electrostatic interaction. The potential is also shown to reproduce second virial coefficients of benzene (C(6)H(6)) with high accuracy, and this is enhanced by using a distributed multipole model for the electrostatic interaction. The graphene dimer interaction energy and the exfoliation energy of graphite have been estimated by extrapolation of PAH interaction energies. The contribution of nonlocal fluctuations in the π electron density in graphite have also been estimated which increases the exfoliation energy by 3.0 meV atom(-1) to 47.6 meV atom(-1), which compares well to recent theoretical and experimental results.

Sodium-ion hybrid electrolyte battery for sustainable energy storage applications

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

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.

Determination of the nuclear level densities and radiative strength function for 43 nuclei in the mass interval 28≤A≤200

NASA Astrophysics Data System (ADS)

Knezevic, David; Jovancevic, Nikola; Sukhovoj, Anatoly M.; Mitsyna, Ludmila V.; Krmar, Miodrag; Cong, Vu D.; Hambsch, Franz-Josef; Oberstedt, Stephan; Revay, Zsolt; Stieghorst, Christian; Dragic, Aleksandar

2018-03-01

The determination of nuclear level densities and radiative strength functions is one of the most important tasks in low-energy nuclear physics. Accurate experimental values of these parameters are critical for the study of the fundamental properties of nuclear structure. The step-like structure in the dependence of the level densities p on the excitation energy of nuclei Eex is observed in the two-step gamma cascade measurements for nuclei in the 28 ≤ A ≤ 200 mass region. This characteristic structure can be explained only if a co-existence of quasi-particles and phonons, as well as their interaction in a nucleus, are taken into account in the process of gamma-decay. Here we present a new improvement to the Dubna practical model for the determination of nuclear level densities and radiative strength functions. The new practical model guarantees a good description of the available intensities of the two step gamma cascades, comparable to the experimental data accuracy.

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.

Inelastic X-ray Scattering Studies of Plasmons in Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Upton, M. H.; Casa, D.; Gog, T.; Misewich, J.; Hill, J. P.; Lowndes, D.; Eres, G.

2006-03-01

We report preliminary inelastic x-ray scattering measurements of the plasmon dispersions in oriented multi- and single- walled carbon nanotubes (M- and S- WCNT) and compare them to the plasmon dispersion in graphite. Two plasmon bands are observed dispersing along the nanotubes' axes: the π and π+σ plasmon bands. The π+σ plasmon band exhibits an apparent systematic variation in energy. Specifically, it has a lower energy in MWCNT than in graphite, and a still lower energy in SWCNT. The energy of the π+σ plasmon band is determined by the plasma frequency of the material, which is proportional to the square root of the electron density. We postulate that the energy shift is a result of a surface effect -- the electron wave function extends past the surface, lowering the average electron density in the bulk. The higher surface-to-volume ratio of the mostly SW sample would then lower the plasmon frequency with respect to the MWCNT sample and graphite. Thus, the systematic variation in plasmon frequency may be explained by a lowering of the net electron density by the surfaces in S- and M-WCNT. Work performed at BNL and the Advanced Photon Source was supported by the US DOE under contracts No. DE-AC02-98CH10886 and No. W-31-109-Eng-38 respectively.

Ultrahigh-power micrometre-sized supercapacitors based on onion-like carbon.

PubMed

Pech, David; Brunet, Magali; Durou, Hugo; Huang, Peihua; Mochalin, Vadym; Gogotsi, Yury; Taberna, Pierre-Louis; Simon, Patrice

2010-09-01

Electrochemical capacitors, also called supercapacitors, store energy in two closely spaced layers with opposing charges, and are used to power hybrid electric vehicles, portable electronic equipment and other devices. By offering fast charging and discharging rates, and the ability to sustain millions of cycles, electrochemical capacitors bridge the gap between batteries, which offer high energy densities but are slow, and conventional electrolytic capacitors, which are fast but have low energy densities. Here, we demonstrate microsupercapacitors with powers per volume that are comparable to electrolytic capacitors, capacitances that are four orders of magnitude higher, and energies per volume that are an order of magnitude higher. We also measured discharge rates of up to 200 V s(-1), which is three orders of magnitude higher than conventional supercapacitors. The microsupercapacitors are produced by the electrophoretic deposition of a several-micrometre-thick layer of nanostructured carbon onions with diameters of 6-7 nm. Integration of these nanoparticles in a microdevice with a high surface-to-volume ratio, without the use of organic binders and polymer separators, improves performance because of the ease with which ions can access the active material. Increasing the energy density and discharge rates of supercapacitors will enable them to compete with batteries and conventional electrolytic capacitors in a number of applications.

Ultrahigh-power micrometre-sized supercapacitors based on onion-like carbon

NASA Astrophysics Data System (ADS)

Pech, David; Brunet, Magali; Durou, Hugo; Huang, Peihua; Mochalin, Vadym; Gogotsi, Yury; Taberna, Pierre-Louis; Simon, Patrice

2010-09-01

Electrochemical capacitors, also called supercapacitors, store energy in two closely spaced layers with opposing charges, and are used to power hybrid electric vehicles, portable electronic equipment and other devices. By offering fast charging and discharging rates, and the ability to sustain millions of cycles, electrochemical capacitors bridge the gap between batteries, which offer high energy densities but are slow, and conventional electrolytic capacitors, which are fast but have low energy densities. Here, we demonstrate microsupercapacitors with powers per volume that are comparable to electrolytic capacitors, capacitances that are four orders of magnitude higher, and energies per volume that are an order of magnitude higher. We also measured discharge rates of up to 200 V s-1, which is three orders of magnitude higher than conventional supercapacitors. The microsupercapacitors are produced by the electrophoretic deposition of a several-micrometre-thick layer of nanostructured carbon onions with diameters of 6-7 nm. Integration of these nanoparticles in a microdevice with a high surface-to-volume ratio, without the use of organic binders and polymer separators, improves performance because of the ease with which ions can access the active material. Increasing the energy density and discharge rates of supercapacitors will enable them to compete with batteries and conventional electrolytic capacitors in a number of applications.

Laser-driven strong magnetostatic fields with applications to charged beam transport and magnetized high energy-density physics

NASA Astrophysics Data System (ADS)

Santos, Joao

2017-10-01

Powerful laser-plasma processes are explored to generate discharge currents of a few 100 kA in coil targets, yielding magnetostatic fields (B-fields) in the kTesla range. The B-fields are measured by proton-deflectometry and high-frequency bandwidth B-dot probes. According to our modeling, the quasi-static currents are provided from hot electron ejection from the laser-irradiated surface, accounting for the space charge neutralization and the plasma magnetization. The major control parameter is the laser irradiance Iλ2 . The B-fields ns-scale is long enough to magnetize secondary targets through resistive diffusion. We applied it in experiments of laser-generated relativistic electron transport into solid dielectric targets, yielding an unprecedented enhancement of a factor 5 on 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. We acknowledge funding from French National Agency for Research (ANR), Grant TERRE ANR-2011-BS04-014, and from EUROfusion Consortium, European Union's Horizon 2020 research and innovation programme, Grant 633053.

Occurrence of high-beta superthermal plasma events in the close environment of Jupiter's bow shock as observed by Ulysses

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

Marhavilas, P. K.; Sarris, E. T.; Anagnostopoulos, G. C.

2011-01-04

The ratio of the plasma pressure to the magnetic field pressure (or of their energy densities) which is known as the plasma parameter 'beta'({beta}) has important implications to the propagation of energetic particles and the interaction of the solar wind with planetary magnetospheres. Although in the scientific literature the contribution of the superthermal particles to the plasma pressure is generally assumed negligible, we deduced, by analyzing energetic particles and magnetic field measurements recorded by the Ulysses spacecraft, that in a series of events, the energy density contained in the superthermal tail of the particle distribution is comparable to or evenmore » higher than the energy density of the magnetic field, creating conditions of high-beta plasma. More explicitly, in this paper we analyze Ulysses/HI-SCALE measurements of the energy density ratio (parameter {beta}{sub ep}) of the energetic ions'(20 keV to {approx}5 MeV) to the magnetic field's in order to find occurrences of high-beta ({beta}{sub ep}>1) superthermal plasma conditions in the environment of the Jovian magnetosphere, which is an interesting plasma laboratory and an important source of emissions in our solar system. In particular, we examine high-beta ion events close to Jupiter's bow shock, which are produced by two processes: (a) bow shock ion acceleration and (b) ion leakage from the magnetosphere.« less

Effect of energy density and delay time on the degree of conversion and Knoop microhardness of a dual resin cement.

PubMed

Mainardi, Maria do Carmo A J; Giorgi, Maria Cecília C; Lima, Débora A N L; Marchi, Giselle M; Ambrosano, Gláucia M; Paulillo, Luiz A M S; Aguiar, Flávio H B

2015-02-01

In the present study, we evaluated the influence of the photo-curing delay time and energy density on the degree of conversion and the Knoop microhardness of a resin cement. Seventy-eight samples were assigned to 13 groups (n = 6), one of which received no light curing (control). The samples were made of a dual-cured resin cement (RelyX ARC) with the aid of a Teflon matrix, submitted to one of the following energy densities (J/cm²): 7, 14, 20, and 28. Delay times were immediate (0), 1 min, or 2 min. After 24 h, the degree of conversion and microhardness were measured at three segments: cervical, medium, and apical. Data were submitted to three-way anova and Tukey's and Dunnett's tests, the latest of which was used to compare the control to the experimental groups. No interaction was observed between delay time and energy density regarding the degree of conversion. The cervical segment showed the highest values, while the apical showed the lowest. Microhardness values concerning the cervical segment in all groups were statistically different from that obtained for the control. A high-irradiance light-curing unit allows for a reduced irradiation exposure time with a short delay time, aimed at tooth restorations using a dual-cured resin cement. © 2014 Wiley Publishing Asia Pty Ltd.

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.

Dietary Energy Density in the Australian Adult Population from National Nutrition Surveys 1995 to 2012.

PubMed

Grech, Amanda Lee; Rangan, Anna; Allman-Farinelli, Margaret

2017-12-01

It is hypothesized that the observed proliferation of energy-dense, nutrient-poor foods globally is an important contributing factor to the development of the obesity epidemic. However, evidence that the population's dietary energy density has increased is sparse. The World Cancer Research Fund recommends that dietary energy density be <1.25 kcal/g to prevent weight gain. The aim of this research was to determine whether the dietary energy density of the Australian population has changed between 1995 and 2012. A secondary analysis of two cross-sectional Australian national nutrition surveys from 1995 and 2011/2012 was conducted. Participants of the surveys included adults aged 18 years and older (1995 n=10,986 and 2011/2012 n=9,435) completing 24-hour dietary recalls, including a second recall for a subset of the population (10.4% in 1995 and 64.6% in 2011/2012). Outcome measures included the change in dietary energy density (calculated as energy/weight of food [kcal/g] for food only) between surveys. The National Cancer Institute method for "estimating ratios of two dietary components that are consumed nearly every day" was used to determine the usual distribution and the percentage of participants reporting energy density <1.25 kcal/g. The mean (standard deviation) dietary energy density was 1.59 (0.26) kcal/g and 1.64 (0.32) kcal/g (P<0.0001) in 1995 and 2011/2012, respectively, with 13% and 5% (P<0.0001) of the population meeting dietary energy-density recommendations. For those aged 70 years and older, the percentage with energy density <1.25 kcal/g decreased from 22% to 6% (P<0.0001) for men and from 33% to 11% (P<0.0001) for women in 1995 and 2011/2012, respectively. Among those aged 18 to 29 years, 1% of men in both surveys (P=0.8) and 4% of women in 1995 and 2% in 2011/2012 (P=0.01) reported energy density <1.25 kcal/g. Dietary energy density has increased between the two surveys and few people consumed low energy-dense diets in line with recommendations. The change was largely due to increased energy density of older adult's diets, while young adults had high dietary energy density at both time points. These data suggest efforts now focus on the evaluation of the role of modifying energy density of the diet to reduce the risk of weight gain in adults. Copyright © 2017 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

Calculation of phonon dispersion relation using new correlation functional

NASA Astrophysics Data System (ADS)

Jitropas, Ukrit; Hsu, Chung-Hao

2017-06-01

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

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

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.

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

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.

Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon

NASA Astrophysics Data System (ADS)

Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Zashikhin, G. D.; Pshenichnyuk, S. A.

2018-04-01

The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1-2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the.

Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration.

PubMed

Soniat, Marielle; Rogers, David M; Rempe, Susan B

2015-07-14

A challenge in density functional theory is developing functionals that simultaneously describe intermolecular electron correlation and electron delocalization. Recent exchange-correlation functionals address those two issues by adding corrections important at long ranges: an atom-centered pairwise dispersion term to account for correlation and a modified long-range component of the electron exchange term to correct for delocalization. Here we investigate how those corrections influence the accuracy of binding free energy predictions for sodium-water clusters. We find that the dual-corrected ωB97X-D functional gives cluster binding energies closest to high-level ab initio methods (CCSD(T)). Binding energy decomposition shows that the ωB97X-D functional predicts the smallest ion-water (pairwise) interaction energy and larger multibody contributions for a four-water cluster than most other functionals - a trend consistent with CCSD(T) results. Also, ωB97X-D produces the smallest amounts of charge transfer and the least polarizable waters of the density functionals studied, which mimics the lower polarizability of CCSD. When compared with experimental binding free energies, however, the exchange-corrected CAM-B3LYP functional performs best (error <1 kcal/mol), possibly because of its parametrization to experimental formation enthalpies. For clusters containing more than four waters, "split-shell" coordination must be considered to obtain accurate free energies in comparison with experiment.

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

NASA Astrophysics Data System (ADS)

Mishra, Bimalendu Kumar

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

The phonon-coupling model for Skyrme forces

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

Lyutorovich, N.; Tselyaev, V.; Speth, J., E-mail: J.Speth@fz-juelich.de

2016-11-15

A short review on the self-consistent RPA based on the energy-density functional of the Skyrme type is given. We also present an extension of the RPA where the coupling of phonons to the single-particle states is considered. Within this approach we present numerical results which are compared with data. The self-consistent approach is compared with the Landau–Migdal theory. Here we derive from the self-consistent ph interaction, the Landau–Migdal parameters as well as their density dependence. In the Appendix a new derivation of the reduced matrix elements of the ph interaction is presented.

Complementary and compensatory dietary changes associated with consumption or omission of plain water by US adults.

PubMed

Kant, Ashima K; Graubard, Barry I

2018-06-18

We examined within-person and between-person differences in self-selected diets of free-living individuals when they choose to consume or not to consume plain water. We used 2-days of dietary data from the NHANES 2005-2012 for this study. For within-person analyses, we compared recalls of respondents who reported water in one of the two available recalls (n = 1875 men and 1479 women). For between-person analysis, we compared dietary recalls of respondents who reported water in two, one of two, or zero of two recalls (n = 8632 men and 8907 women). The outcomes examined included reported intakes of 24-h energy from foods, beverages, and dietary and eating pattern attributes. We used covariate-adjusted regression methods for both types of analyses. For within-person analyses, the regression models included separate person-level fixed effects. Relative to the water day, on the no-water day, amount of beverages and energy contribution of beverages were significantly higher in both men (106 kcal) and women (43 kcal) (P ≤ 0.002). However, the water and the no-water days did not differ in 24-h energy intake, or the amount and energy from reported foods (P > 0.05). Energy density of foods, servings of fruits or vegetables and eating patterns did not differ between the water and the no-water day in both men and women (P > 0.05). For between-person analysis, however, intakes of energy and energy density of foods were higher, but density of sodium, potassium, and magnesium were lower among those who reported no water in both recalls. Overall, beverages partially substituted for plain water on the no-water day but qualitative dietary characteristics and eating patterns, which may relate to habitual food intake and personal preferences, were not appreciably different within individuals. Copyright © 2018 Elsevier Ltd. All rights reserved.

Choosing the best method to estimate the energy density of a population using food purchase data.

PubMed

Wrieden, W L; Armstrong, J; Anderson, A S; Sherriff, A; Barton, K L

2015-04-01

Energy density (ED) is a measure of the energy content of a food component or diet relative to a standard unit of weight. Widespread variation in ED assessment methodologies exist. The present study aimed to explore the feasibility of calculating the ED of the Scottish diet using UK food purchase survey data and to identify the most appropriate method for calculating ED for use in the development of a Scottish Dietary Goal that captures any socioeconomic differences. Energy density was calculated using five different methods [food; food and milk; food, milk and energy containing (non-alcoholic) beverages; food, milk and all non-alcoholic beverages; and all food and beverages]. ED of the Scottish diet was estimated for each of the ED methods and data were examined by deprivation category. Mean ED varied from 409 to 847 kJ 100 g(-1) depending on the method used. ED values calculated from food (847 kJ 100 g(-1) ) and food and milk (718 kJ 100 g(-1) ) were most comparable to other published data, with the latter being a more accurate reflection of all food consumed. For these two methods, there was a significant gradient between the most and least deprived quintiles (892-807 and 737-696 kJ 100 g(-1) for food and food and milk, respectively). Because the World Cancer Research Fund recommendations are based on ED from food and milk, it was considered prudent to use this method for policy purposes and for future monitoring work of the Scottish Diet to ensure consistency of reporting and comparability with other published studies. © 2014 The British Dietetic Association Ltd.

Resonant scattering due to adatoms in graphene: Top, bridge, and hollow positions

NASA Astrophysics Data System (ADS)

Irmer, Susanne; Kochan, Denis; Lee, Jeongsu; Fabian, Jaroslav

2018-02-01

We present a theoretical study of resonance characteristics in graphene from adatoms with s or pz character binding in top, bridge, and hollow positions. The adatoms are described by two tight-binding parameters: on-site energy and hybridization strength. We explore a wide range of different magnitudes of these parameters by employing T -matrix calculations in the single adatom limit and by tight-binding supercell calculations for dilute adatom coverage. We calculate the density of states and the momentum relaxation rate and extract the resonance level and resonance width. The top position with a large hybridization strength or, equivalently, small on-site energy, induces resonances close to zero energy. The bridge position, compared to top, is more sensitive to variation in the orbital tight-binding parameters. Resonances within the experimentally relevant energy window are found mainly for bridge adatoms with negative on-site energies. The effect of resonances from the top and bridge positions on the density of states and momentum relaxation rate is comparable and both positions give rise to a power-law decay of the resonant state in graphene. The hollow position with s orbital character is affected from destructive interference, which is seen from the very narrow resonance peaks in the density of states and momentum relaxation rate. The resonant state shows no clear tendency to a power-law decay around the impurity and its magnitude decreases strongly with lowering the adatom content in the supercell calculations. This is in contrast to the top and bridge positions. We conclude our study with a comparison to models of pointlike vacancies and strong midgap scatterers. The latter model gives rise to significantly higher momentum relaxation rates than caused by single adatoms.

SUPRATHERMAL ELECTRONS IN TITAN’S SUNLIT IONOSPHERE: MODEL–OBSERVATION COMPARISONS

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

Vigren, E.; Edberg, N. J. T.; Wahlund, J.-E.

2016-08-01

The dayside ionosphere of the Saturnian satellite Titan is generated mainly from photoionization of N{sub 2} and CH{sub 4}. We compare model-derived suprathermal electron intensities with spectra measured by the Cassini Plasma Spectrometer/Electron Spectrometer (CAPS/ELS) in Titan's sunlit ionosphere (altitudes of 970–1250 km) focusing on the T40, T41, T42, and T48 Titan flybys by the Cassini spacecraft. The model accounts only for photoelectrons and associated secondary electrons, with a main input being the impinging solar EUV spectra as measured by the Thermosphere Ionosphere Mesosphere Energy and Dynamics/Solar EUV Experiment and extrapolated to Saturn. Associated electron-impact electron production rates have beenmore » derived from ambient number densities of N{sub 2} and CH{sub 4} (measured by the Ion Neutral Mass Spectrometer/Closed Source Neutral mode) and related energy-dependent electron-impact ionization cross sections. When integrating up to electron energies of 60 eV, covering the bulk of the photoelectrons, the model-based values exceed the observationally based values typically by factors of ∼3 ± 1. This finding is possibly related to current difficulties in accurately reproducing the observed electron number densities in Titan's dayside ionosphere. We compare the utilized dayside CAPS/ELS spectra with ones measured in Titan's nightside ionosphere during the T55–T59 flybys. The investigated nightside locations were associated with higher fluxes of high-energy (>100 eV) electrons than the dayside locations. As expected, for similar neutral number densities, electrons with energies <60 eV give a higher relative contribution to the total electron-impact ionization rates on the dayside (due to the contribution from photoelectrons) than on the nightside.« less

Importance of finite-temperature exchange correlation for warm dense matter calculations.

PubMed

Karasiev, Valentin V; Calderín, Lázaro; Trickey, S B

2016-06-01

The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the Karasiev-Sjostrom-Dufty-Trickey (KSDT) finite-temperature local-density approximation (TLDA) XC functional [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.076403] parametrized from restricted path-integral Monte Carlo data on the homogeneous electron gas (HEG) and the conventional Monte Carlo parametrization ground-state LDA XC [Perdew-Zunger (PZ)] functional evaluated with T-dependent densities. Both Kohn-Sham (KS) and orbital-free density-functional theories are used, depending upon computational resource demands. Compared to the PZ functional, the KSDT functional generally lowers the dc electrical conductivity of low-density Al, yielding improved agreement with experiment. The greatest lowering is about 15% for T=15 kK. Correspondingly, the KS band structure of low-density fcc Al from the KSDT functional exhibits a clear increase in interband separation above the Fermi level compared to the PZ bands. In some density-temperature regimes, the deuterium equations of state obtained from the two XC functionals exhibit pressure differences as large as 4% and a 6% range of differences. However, the hydrogen principal Hugoniot is insensitive to the explicit XC T dependence because of cancellation between the energy and pressure-volume work difference terms in the Rankine-Hugoniot equation. Finally, the temperature at which the HEG becomes unstable is T≥7200 K for the T-dependent XC, a result that the ground-state XC underestimates by about 1000 K.

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.

Vertically Aligned Carbon Nanotube Arrays as Efficient Supports for Faradaic Capacitive Electrodes

NASA Astrophysics Data System (ADS)

Oguntoye, Moses; Holleran, Mary-Kate; Roberts, Katherine; Pesika, Noshir

Supercapacitors are notable for their ability to deliver energy at higher power (compared to batteries) and store energy at higher density (compared to capacitors) as well as exhibit a long cycle life. In our efforts to further the development of supercapacitors, our focus is on using vertically aligned carbon nanotubes (VACNT) as supports for faradaic capacitive electrode materials. The objective is to develop electrodes functioning in an inexpensive aqueous environment with small potential windows, that store energy at a higher density than carbon materials alone. We describe the different approaches explored to overcome the challenges of non-uniform deposition, poor wetting and array collapse. Materials that are electrochemically anchored to VACNT supports include NiCo2O4, VOx, Fe2O3 and Co-Mn mixed oxides. In each case, the specific capacitance obtained using the VACNT arrays as supports is significantly more than that obtained by direct deposition onto current collectors or by using VACNT alone. The ease of VACNT growth and the degree of coating control achievable using electrodeposition means there is much potential in exploring them as supports for capacitive electrode materials.

From Lawson to Burning Plasmas: a Multi-Fluid Approach

NASA Astrophysics Data System (ADS)

Guazzotto, Luca; Betti, Riccardo

2017-10-01

The Lawson criterion, easily compared to experimental parameters, gives the value for the triple product of plasma density, temperature and energy confinement time needed for the plasma to ignite. Lawson's inaccurate assumptions of 0D geometry and single-fluid plasma model were improved in recent work, where 1D geometry and multi-fluid (ions, electrons and alphas) physics were included in the model, accounting for physical equilibration times and different energy confinement times between species. A much more meaningful analysis than Lawson's for current and future experiment would be expressed in terms of burning plasma state (Q=5, where Q is the ratio between fusion power and heating power). Minimum parameters for reaching Q=5 are calculated based on experimental profiles for density and temperatures and can immediately be compared with experimental performance by defining a no-alpha pressure. This is done in terms of the pressure that the plasma needs to reach for breakeven once the alpha heating has been subtracted from the energy balance. These calculations can be applied to current experiments and future burning-plasma devices. DE-FG02-93ER54215.

Determining the mass attenuation coefficient, effective atomic number, and electron density of raw wood and binderless particleboards of Rhizophora spp. by using Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Marashdeh, Mohammad W.; Al-Hamarneh, Ibrahim F.; Abdel Munem, Eid M.; Tajuddin, A. A.; Ariffin, Alawiah; Al-Omari, Saleh

Rhizophora spp. wood has the potential to serve as a solid water or tissue equivalent phantom for photon and electron beam dosimetry. In this study, the effective atomic number (Zeff) and effective electron density (Neff) of raw wood and binderless Rhizophora spp. particleboards in four different particle sizes were determined in the 10-60 keV energy region. The mass attenuation coefficients used in the calculations were obtained using the Monte Carlo N-Particle (MCNP5) simulation code. The MCNP5 calculations of the attenuation parameters for the Rhizophora spp. samples were plotted graphically against photon energy and discussed in terms of their relative differences compared with those of water and breast tissue. Moreover, the validity of the MCNP5 code was examined by comparing the calculated attenuation parameters with the theoretical values obtained by the XCOM program based on the mixture rule. The results indicated that the MCNP5 process can be followed to determine the attenuation of gamma rays with several photon energies in other materials.

Experimental study on energy absorption of foam filled kraft paper honeycomb subjected to quasi-static uniform compression loading

NASA Astrophysics Data System (ADS)

Abd Kadir, N.; Aminanda, Y.; Ibrahim, M. S.; Mokhtar, H.

2016-10-01

A statistical analysis was performed to evaluate the effect of factor and to obtain the optimum configuration of Kraft paper honeycomb. The factors considered in this study include density of paper, thickness of paper and cell size of honeycomb. Based on three level factorial design, two-factor interaction model (2FI) was developed to correlate the factors with specific energy absorption and specific compression strength. From the analysis of variance (ANOVA), the most influential factor on responses and the optimum configuration was identified. After that, Kraft paper honeycomb with optimum configuration is used to fabricate foam-filled paper honeycomb with five different densities of polyurethane foam as filler (31.8, 32.7, 44.5, 45.7, 52 kg/m3). The foam-filled paper honeycomb is subjected to quasi-static compression loading. Failure mechanism of the foam-filled honeycomb was identified, analyzed and compared with the unfilled paper honeycomb. The peak force and energy absorption capability of foam-filled paper honeycomb are increased up to 32% and 30%, respectively, compared to the summation of individual components.

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

NASA Astrophysics Data System (ADS)

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

2010-12-01

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

Acoustic energy in ducts - Further observations

NASA Technical Reports Server (NTRS)

Eversman, W.

1979-01-01

The transmission of acoustic energy in uniform ducts carrying uniform flow is investigated with the purpose of clarifying two points of interest. The two commonly used definitions of acoustic 'energy' flux are shown to be related by a Legendre transformation of the Lagrangian density exactly as in deriving the Hamiltonian density in mechanics. In the acoustic case the total energy density and the Hamiltonian density are not the same which accounts for two different 'energy' fluxes. When the duct has acoustically absorptive walls neither of the two flux expressions gives correct results. A reevaluation of the basis of derivation of the energy density and energy flux provides forms which yield consistent results for soft walled ducts.

Energy and nutrient intake increased by 47–67% when amylase was added to fortified blended foods—a study among 12‐ to 35‐month‐old Burkinabe children

PubMed Central

Kampstra, Nynke A.; Van Hoan, Nguyen; Koenders, Damiet J.P.C.; Schoop, Rotraut; Broersen, Britt C.; Mouquet‐Rivier, Claire; Traoré, Tahirou; Bruins, Maaike J.

2017-01-01

Abstract Adding amylase to fortified blended foods can improve energy density, and increase child's energy and nutrient intake. The efficacy of this strategy is unknown for the World Food Programme's Super Cereal Plus (SC+) and Super Cereal (SC) blends. The primary goal of this study was to investigate the increased energy intake from amylase‐containing SC+ and SC compared to control porridges in Burkinabe children. Secondly, energy intake from amylase‐containing porridges compared to CERELAC®, Vitazom, and eeZeeBAR™ was studied. Thirdly, caregivers' (n = 100) porridge acceptability was investigated. The design was a randomized double‐blind controlled cross‐over trial studying the effect of amylase addition to SC+ and SC flours on porridge energy and nutrient intake in healthy Burkinabe children aged 12–23 (n = 80) and 24–35 months (n = 40). Amylase added to porridges increased energy density from 0.68 to 1.16 kcal/g for SC+ and from 0.66 to 1.03 kcal/g for SC porridges. Among children aged 12–23 months, mean energy intake from all porridges with amylase (135–164 kcal/meal) was significantly higher compared to control SC+ porridges (84–98 kcal/meal; model‐based average). Among children aged 24–35 months, mean energy intakes were also significantly higher from all porridges with amylase added (245–288 kcal/meal) compared to control SC porridges (175–183 kcal/meal). Acceptability of the porridges among caregivers was rated neutral to good, both for amylase‐added and non‐amylase‐containing porridges. These findings suggest that, among 12–35‐month‐old, adding amylase to fortified blended foods significantly increased energy and consequently nutrient intake per meal by 67% for SC+ and 47% for SC. Moreover, amylase‐containing porridges were well accepted by the caregivers. PMID:28466569

Hybrid functional study of α-uranium

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

Kaur, Gurpreet, E-mail: gurpreet@igcar.gov.in; Chinnappan, Ravi; Panigrahi, B. K.

2016-05-23

We have used the hybrid density functionals to study the structural and electronic properties of alpha-U. The fraction of exact Hartree Folk exchange used is varied from 0.0 to 0.6. The equilibrium volume is found to be underestimated and bulk modulus overestimated with HSE as compared to both calculated by PBE and the experimental values. Electronic bands below the Fermi level are found to shift to lower energy with respect to PBE electronic bands which itself gives the bands shifted to lower energies as compared to UPS experiments.

Postmidnight depletion of the high-energy tail of the quiet plasmasphere

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

Sarno-Smith, Lois K.; Liemohn, Michael W.; Katus, Roxanne M.

The Van Allen Probes Helium Oxygen Proton Electron (HOPE) instrument measures the high energy tail of the thermal plasmasphere allowing study of topside ionosphere and inner magnetosphere coupling. We statistically analyze a 22 month period of HOPE data, looking at quiet times with a Kp index of less than 3. We investigate the high energy range of the plasmasphere, which consists of ions at energies between 1-10 eV and contains approximately 5% of total plasmaspheric density. Both the fluxes and partial plasma densities over this energy range show H + is depleted the most in the post-midnight sector (1-4 MLT),more » followed by O + and then He +. The relative depletion of each species across the post-midnight sector is not ordered by mass, which reveals ionospheric influence. We compare our results with keV energy electron data from HOPE and the Van Allen Probes Electric Fields and Waves (EFW) instrument spacecraft potential to rule out spacecraft charging. Our conclusion is that the post-midnight ion disappearance is due to diurnal ionospheric temperature variation and charge exchange processes« less

Postmidnight depletion of the high-energy tail of the quiet plasmasphere

DOE PAGES

Sarno-Smith, Lois K.; Liemohn, Michael W.; Katus, Roxanne M.; ...

2015-03-06

The Van Allen Probes Helium Oxygen Proton Electron (HOPE) instrument measures the high energy tail of the thermal plasmasphere allowing study of topside ionosphere and inner magnetosphere coupling. We statistically analyze a 22 month period of HOPE data, looking at quiet times with a Kp index of less than 3. We investigate the high energy range of the plasmasphere, which consists of ions at energies between 1-10 eV and contains approximately 5% of total plasmaspheric density. Both the fluxes and partial plasma densities over this energy range show H + is depleted the most in the post-midnight sector (1-4 MLT),more » followed by O + and then He +. The relative depletion of each species across the post-midnight sector is not ordered by mass, which reveals ionospheric influence. We compare our results with keV energy electron data from HOPE and the Van Allen Probes Electric Fields and Waves (EFW) instrument spacecraft potential to rule out spacecraft charging. Our conclusion is that the post-midnight ion disappearance is due to diurnal ionospheric temperature variation and charge exchange processes« less

Streamer properties and associated x-rays in perturbed air

NASA Astrophysics Data System (ADS)

Köhn, C.; Chanrion, O.; Babich, L. P.; Neubert, T.

2018-01-01

Streamers are ionization waves in electric discharges. One of the key ingredients of streamer propagation is an ambient gas that serves as a source of free electrons. Here, we explore the dependence of streamer dynamics on different spatial distributions of ambient air molecules. We vary the spatial profile of air parallel and perpendicular to the ambient electric field. We consider local sinusoidal perturbations of 5%-100%, as induced from discharge shock waves. We use a cylindrically symmetric particle-in-cell code to simulate the evolution of bidirectional streamers and compare the electron density, electric field, streamer velocity and electron energy of streamers in uniform air and in perturbed air. In all considered cases, the motion is driven along in decreasing air density and damped along increasing air density. Perturbations of at most 5%-10% change the velocity differences by up to approximately 40%. Perturbations perpendicular to the electric field additionally squeeze or branch streamers. Air variations can thus partly explain the difference of velocities and morphologies of streamer discharges. In cases with large perturbations, electrons gain energies of up to 30 keV compared to 100 eV in uniformly distributed air. For such perturbations parallel to the ambient electric field, we see the spontaneous initiation of a negative streamer; for perpendicular perturbations, x-rays with energies of up to 20 keV are emitted within 0.17 ns.

Design of a micro-Wankel rotary engine for MEMS fabrication

NASA Astrophysics Data System (ADS)

Jiang, Kyle C.; Prewett, Philip D.; Ward, M. C. L.; Tian, Y.; Yang, H.

2001-04-01

This paper presents the design of a micro Wankel engine for deep etching micro fabrication. The micro engine design is part of a research program in progress to develop a micro actuator to supply torque for driving micro machines. To begin with, the research work concentrates on the micro Wankel engine powered by liquid CO2. Then, a Wankel internal combustion engines will be investigated. The Wankel engine is a planetary rotation engine. It is selected because of its largely 2D structure which is suitable for lithographic processes. The engine has been simplified and redesigned to suit the fabrication processes. In particular, the fuel inlet has been moved to the top cover of the housing from the side, and the outlet is made as a groove on the housing, so that the both parts can be etched. A synchronization valve is mounted on the engine to control the supply of CO2. One of advantages of the micro engines is their high energy density compared with batteries. A research study has been conducted in comparing energy densities of commonly used fuels. It shows that the energy densities of fuels for combustion engines are 10 - 30 times higher than that of batteries. The deigns of the micro Wankel engines have been tested for verification by finite element analysis, CAD assembly, and construction of a prototype, which proves the design is valid.

Simplified method for creating a density-absorbed dose calibration curve for the low dose range from Gafchromic EBT3 film.

PubMed

Gotanda, Tatsuhiro; Katsuda, Toshizo; Gotanda, Rumi; Kuwano, Tadao; Akagawa, Takuya; Tanki, Nobuyoshi; Tabuchi, Akihiko; Shimono, Tetsunori; Kawaji, Yasuyuki

2016-01-01

Radiochromic film dosimeters have a disadvantage in comparison with an ionization chamber in that the dosimetry process is time-consuming for creating a density-absorbed dose calibration curve. The purpose of this study was the development of a simplified method of creating a density-absorbed dose calibration curve from radiochromic film within a short time. This simplified method was performed using Gafchromic EBT3 film with a low energy dependence and step-shaped Al filter. The simplified method was compared with the standard method. The density-absorbed dose calibration curves created using the simplified and standard methods exhibited approximately similar straight lines, and the gradients of the density-absorbed dose calibration curves were -32.336 and -33.746, respectively. The simplified method can obtain calibration curves within a much shorter time compared to the standard method. It is considered that the simplified method for EBT3 film offers a more time-efficient means of determining the density-absorbed dose calibration curve within a low absorbed dose range such as the diagnostic range.

Simplified method for creating a density-absorbed dose calibration curve for the low dose range from Gafchromic EBT3 film

PubMed Central

Gotanda, Tatsuhiro; Katsuda, Toshizo; Gotanda, Rumi; Kuwano, Tadao; Akagawa, Takuya; Tanki, Nobuyoshi; Tabuchi, Akihiko; Shimono, Tetsunori; Kawaji, Yasuyuki

2016-01-01

Radiochromic film dosimeters have a disadvantage in comparison with an ionization chamber in that the dosimetry process is time-consuming for creating a density-absorbed dose calibration curve. The purpose of this study was the development of a simplified method of creating a density-absorbed dose calibration curve from radiochromic film within a short time. This simplified method was performed using Gafchromic EBT3 film with a low energy dependence and step-shaped Al filter. The simplified method was compared with the standard method. The density-absorbed dose calibration curves created using the simplified and standard methods exhibited approximately similar straight lines, and the gradients of the density-absorbed dose calibration curves were −32.336 and −33.746, respectively. The simplified method can obtain calibration curves within a much shorter time compared to the standard method. It is considered that the simplified method for EBT3 film offers a more time-efficient means of determining the density-absorbed dose calibration curve within a low absorbed dose range such as the diagnostic range. PMID:28144120

Linking density functional and mode coupling models for supercooled liquids

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

Premkumar, Leishangthem; Bidhoodi, Neeta; Das, Shankar P.

2016-03-28

We compare predictions from two familiar models of the metastable supercooled liquid, respectively, constructed with thermodynamic and dynamic approaches. In the so called density functional theory the free energy F[ρ] of the liquid is a functional of the inhomogeneous density ρ(r). The metastable state is identified as a local minimum of F[ρ]. The sharp density profile characterizing ρ(r) is identified as a single particle oscillator, whose frequency is obtained from the parameters of the optimum density function. On the other hand, a dynamic approach to supercooled liquids is taken in the mode coupling theory (MCT) which predict a sharp ergodicity-non-ergodicitymore » transition at a critical density. The single particle dynamics in the non-ergodic state, treated approximately, represents a propagating mode whose characteristic frequency is computed from the corresponding memory function of the MCT. The mass localization parameters in the above two models (treated in their simplest forms) are obtained, respectively, in terms of the corresponding natural frequencies depicted and are shown to have comparable magnitudes.« less

Transcriptome assembly and candidate genes involved in nutritional programming in the swordtail fish Xiphophorus multilineatus.

PubMed

Lu, Yuan; Klimovich, Charlotte M; Robeson, Kalen Z; Boswell, William; Ríos-Cardenas, Oscar; Walter, Ronald B; Morris, Molly R

2017-01-01

Nutritional programming takes place in early development. Variation in the quality and/or quantity of nutrients in early development can influence long-term health and viability. However, little is known about the mechanisms of nutritional programming. The live-bearing fish Xiphophorus multilineatus has the potential to be a new model for understanding these mechanisms, given prior evidence of nutritional programming influencing behavior and juvenile growth rate. We tested the hypotheses that nutritional programming would influence behaviors involved in energy homeostasis as well gene expression in X. multilineatus. We first examined the influence of both juvenile environment (varied in nutrition and density) and adult environment (varied in nutrition) on behaviors involved in energy acquisition and energy expenditure in adult male X. multilineatus . We also compared the behavioral responses across the genetically influenced size classes of males. Males stop growing at sexual maturity, and the size classes of can be identified based on phenotypes (adult size and pigment patterns). To study the molecular signatures of nutritional programming, we assembled a de novo transcriptome for X. multilineatus using RNA from brain, liver, skin, testis and gonad tissues, and used RNA-Seq to profile gene expression in the brains of males reared in low quality (reduced food, increased density) and high quality (increased food, decreased density) juvenile environments. We found that both the juvenile and adult environments influenced the energy intake behavior, while only the adult environment influenced energy expenditure. In addition, there were significant interactions between the genetically influenced size classes and the environments that influenced energy intake and energy expenditure, with males from one of the four size classes (Y-II) responding in the opposite direction as compared to the other males examined. When we compared the brains of males of the Y-II size class reared in a low quality juvenile environment to males from the same size class reared in high quality juvenile environment, 131 genes were differentially expressed, including metabolism and appetite master regulator agrp gene. Our study provides evidence for nutritional programming in X. multilineatus , with variation across size classes of males in how juvenile environment and adult diet influences behaviors involved in energy homeostasis. In addition, we provide the first transcriptome of X. multilineatus , and identify a group of candidate genes involved in nutritional programming.

Interacting dark energy models as an approach for solving Cosmic Coincidence Problem

NASA Astrophysics Data System (ADS)

Shojaei, Hamed

Understanding the dark side of the Universe is one of the main tasks of physicists. As there is no thorough understanding of nature of the dark energy, this area is full of new ideas and there may be several discoveries, theoretical or experimental, in the near future. We know that dark energy, though not detected directly, exists and it is not just an exotic idea. The presence of dark energy is required by the observation of the acceleration of the universe. There are several questions regarding dark energy. What is the nature of dark energy? How does it interact with matter, baryonic or dark? Why is the density of dark energy so tiny, i.e. why rhoΛ ≈ 10--120 M4Pl ? And finally why does its density have the same order of magnitude as the density of matter does at the present time? The last question is one form of what is known as the "Cosmic Coincidence Problem" and in this work, I have been investigating one way to resolve this issue. Observations of Type Ia supernovae indicate that we are in an accelerating universe. A matter-dominated universe cannot be accelerating. A good fit is obtained if we assume that energy density parameters are O Λ = 0.7 and Om = 0.3. Here O Λ is related to dark energy, or cosmological constant in ΛCDM model. At the same time data from Wilkinson Microwave Anisotropy Probe (WMAP) satellite and supernova surveys have placed a constraint on w, the equation of state for dark energy, which is actually the ratio of pressure and energy density. Any good theory needs to explain this coincidence problem and yields a value for w between -1.1 and -0.9. I have employed an interesting approach to solve this problem by assuming that there exists an interaction between dark energy and matter in the context of holographic dark energy. This interaction converts dark energy to matter or vice versa without violating the local conservation of energy in the universe. Holographic dark energy by itself indicates that the value of dark energy is related to the surface of a horizon. In this work, interacting dark energy models are considered in flat and curved spacetime, and their properties have been explored. Adding interaction to the equations of motion, creates new equilibrium solutions for the evolution of the universe. Adjusting parameters in the theory yields equilibrium solutions which are very close to the universe at the present time. In this sense, being in a universe where dark energy density and matter density are comparable is not a coincidence anymore. We don't just happen to be in this era. This situation is the equilibrium situation which the universe had been driven toward and there is no coincidence at all. I believe these models are not just for resolving the cosmic coincidence problem. They are capable of explaining the universe in all of its evolutionary stages. Upon finding the correct interaction, a task which is still under investigation, one is able to have a whole picture for the universe from the beginning, before inflation, until now. Finding that interaction also will help to discover the fundamental theory which explains the nature of dark energy.

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.

Piezoelectric Energy Harvesting Solutions

PubMed Central

Caliò, Renato; Rongala, Udaya Bhaskar; Camboni, Domenico; Milazzo, Mario; Stefanini, Cesare; de Petris, Gianluca; Oddo, Calogero Maria

2014-01-01

This paper reviews the state of the art in piezoelectric energy harvesting. It presents the basics of piezoelectricity and discusses materials choice. The work places emphasis on material operating modes and device configurations, from resonant to non-resonant devices and also to rotational solutions. The reviewed literature is compared based on power density and bandwidth. Lastly, the question of power conversion is addressed by reviewing various circuit solutions. PMID:24618725

The Structure and Stability of Bn(+) Clusters

NASA Technical Reports Server (NTRS)

Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

The geometries of B+n clusters for n less than 14 have been optimized using density functional theory with the B3LYP functional. The most stable structure for each cluster is planar or quasi-planar. The B3LYP fragmentation energies are calibrated using coupled cluster theory. Overall, our corrected fragmentation energies are in reasonable agreement with experiment. Our results are compared with previous theoretical results.

Level Densities of Residual Nuclei from particle evaporation of 64Cu

NASA Astrophysics Data System (ADS)

Oginni, B. M.; Grimes, S. M.; Voinov, A. V.; Adekola, A. S.; Brune, C. R.; Carter, D.; Heinen, Z.; Jacobs, D.; Massey, T. N.; O'Donnell, J.

2009-07-01

The reactions of 6Li on 58Fe and 7Li on 57Fe have been studied at beam energy 15 MeV. These two reactions produce the same compound nucleus, 64Cu. The neutron, proton, and alpha spectra were measured at backward angles. The data obtained have been compared with Hauser Fesh-bach model calculations. The level density parameters of the residual nuclei have been obtained from the particle evaporation spectra.

Note: Experimental platform for magnetized high-energy-density plasma studies at the omega laser facility

NASA Astrophysics Data System (ADS)

Fiksel, G.; Agliata, A.; Barnak, D.; Brent, G.; Chang, P.-Y.; Folnsbee, L.; Gates, G.; Hasset, D.; Lonobile, D.; Magoon, J.; Mastrosimone, D.; Shoup, M. J.; Betti, R.

2015-01-01

An upgrade of the pulsed magnetic field generator magneto-inertial fusion electrical discharge system [O. Gotchev et al., Rev. Sci. Instrum. 80, 043504 (2009)] is described. The device is used to study magnetized high-energy-density plasma and is capable of producing a pulsed magnetic field of tens of tesla in a volume of a few cubic centimeters. The magnetic field is created by discharging a high-voltage capacitor through a small wire-wound coil. The coil current pulse has a duration of about 1 μs and a peak value of 40 kA. Compared to the original, the updated version has a larger energy storage and improved switching system. In addition, magnetic coils are fabricated using 3-D printing technology which allows for a greater variety of the magnetic field topology.

Neutral buoyancy is optimal to minimize the cost of transport in horizontally swimming seals

PubMed Central

Sato, Katsufumi; Aoki, Kagari; Watanabe, Yuuki Y.; Miller, Patrick J. O.

2013-01-01

Flying and terrestrial animals should spend energy to move while supporting their weight against gravity. On the other hand, supported by buoyancy, aquatic animals can minimize the energy cost for supporting their body weight and neutral buoyancy has been considered advantageous for aquatic animals. However, some studies suggested that aquatic animals might use non-neutral buoyancy for gliding and thereby save energy cost for locomotion. We manipulated the body density of seals using detachable weights and floats, and compared stroke efforts of horizontally swimming seals under natural conditions using animal-borne recorders. The results indicated that seals had smaller stroke efforts to swim a given speed when they were closer to neutral buoyancy. We conclude that neutral buoyancy is likely the best body density to minimize the cost of transport in horizontal swimming by seals. PMID:23857645

Note: Experimental platform for magnetized high-energy-density plasma studies at the omega laser facility.

PubMed

Fiksel, G; Agliata, A; Barnak, D; Brent, G; Chang, P-Y; Folnsbee, L; Gates, G; Hasset, D; Lonobile, D; Magoon, J; Mastrosimone, D; Shoup, M J; Betti, R

2015-01-01

An upgrade of the pulsed magnetic field generator magneto-inertial fusion electrical discharge system [O. Gotchev et al., Rev. Sci. Instrum. 80, 043504 (2009)] is described. The device is used to study magnetized high-energy-density plasma and is capable of producing a pulsed magnetic field of tens of tesla in a volume of a few cubic centimeters. The magnetic field is created by discharging a high-voltage capacitor through a small wire-wound coil. The coil current pulse has a duration of about 1 μs and a peak value of 40 kA. Compared to the original, the updated version has a larger energy storage and improved switching system. In addition, magnetic coils are fabricated using 3-D printing technology which allows for a greater variety of the magnetic field topology.

Structure of neutron star crusts from new Skyrme effective interactions constrained by chiral effective field theory

NASA Astrophysics Data System (ADS)

Lim, Yeunhwan; Holt, Jeremy W.

2017-06-01

We investigate the structure of neutron star crusts, including the crust-core boundary, based on new Skyrme mean field models constrained by the bulk-matter equation of state from chiral effective field theory and the ground-state energies of doubly-magic nuclei. Nuclear pasta phases are studied using both the liquid drop model as well as the Thomas-Fermi approximation. We compare the energy per nucleon for each geometry (spherical nuclei, cylindrical nuclei, nuclear slabs, cylindrical holes, and spherical holes) to obtain the ground state phase as a function of density. We find that the size of the Wigner-Seitz cell depends strongly on the model parameters, especially the coefficients of the density gradient interaction terms. We employ also the thermodynamic instability method to check the validity of the numerical solutions based on energy comparisons.

Imaging of the outer valence orbitals of CO by electron momentum spectroscopy — Comparison with high level MRSD-CI and DFT calculations

NASA Astrophysics Data System (ADS)

Fan, X. W.; Chen, X. J.; Zhou, S. J.; Zheng, Y.; Brion, C. E.; Frey, R.; Davidson, E. R.

1997-09-01

A newly constructed energy dispersive multichannel electron momentum spectrometer has been used to image the electron density of the outer valence orbitals of CO with high precision. Binding energy spectra are obtained at a coincidence energy resolution of 1.2 eV fwhm. The measured electron density profiles in momentum space for the outer valence orbitals of CO are compared with cross sections calculated using SCF wavefunctions with basis sets of varying complexity up to near-Hartree-Fock limit in quality. The effects of correlation and electronic relaxation on the calculated momentum profiles are investigated using large MRSD-CI calculations of the full ion-neutral overlap distributions, as well as large basis set DFT calculations with local and non-local (gradient corrected) functionals.

Assessment of hydrothermal carbonization and coupling washing with torrefaction of bamboo sawdust for biofuels production.

PubMed

Zhang, Shuping; Su, Yinhai; Xu, Dan; Zhu, Shuguang; Zhang, Houlei; Liu, Xinzhi

2018-06-01

Two kinds of biofuels were produced and compared from hydrothermal carbonization (HTC) and coupling washing with torrefaction (CWT) processes of bamboo sawdust in this study. The mass and energy yields, mass energy density, fuel properties, structural characterizations, combustion behavior and ash behavior during combustion process were investigated. Significant increases in the carbon contents resulted in the improvement of mass energy density and fuel properties of biofuels obtained. Both HTC and CWT improved the safety of the biofuels during the process of handling, storing and transportation. The ash-related issues of the biofuels were significantly mitigated and combustion behavior was remarkably improved after HTC and CWT processes of bamboo sawdust. In general, both HTC and CWT processes are suitable to produce biofuels with high fuel quality from bamboo sawdust. Copyright © 2018 Elsevier Ltd. All rights reserved.

Neutral buoyancy is optimal to minimize the cost of transport in horizontally swimming seals.

PubMed

Sato, Katsufumi; Aoki, Kagari; Watanabe, Yuuki Y; Miller, Patrick J O

2013-01-01

Flying and terrestrial animals should spend energy to move while supporting their weight against gravity. On the other hand, supported by buoyancy, aquatic animals can minimize the energy cost for supporting their body weight and neutral buoyancy has been considered advantageous for aquatic animals. However, some studies suggested that aquatic animals might use non-neutral buoyancy for gliding and thereby save energy cost for locomotion. We manipulated the body density of seals using detachable weights and floats, and compared stroke efforts of horizontally swimming seals under natural conditions using animal-borne recorders. The results indicated that seals had smaller stroke efforts to swim a given speed when they were closer to neutral buoyancy. We conclude that neutral buoyancy is likely the best body density to minimize the cost of transport in horizontal swimming by seals.

Application of Density Functional Theory to Systems Containing Metal Atoms

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Arnold, James O. (Technical Monitor)

1997-01-01

The accuracy of density functional theory (DFT) for problems involving metal atoms is considered. The DFT results are compared with experiment as well as results obtained using the coupled cluster approach. The comparisons include geometries, frequencies, and bond energies. The systems considered include MO2, M(OH)+(sub n), MNO+, and MCO+(sub 2). The DFT works well for frequencies and geometries, even in cases with symmetry breaking; however, some examples have been found where the symmetry breaking is quite severe and the DFT methods do not work well. The calculation of bond energies is more difficult and examples of the successes as well as failures of DFT will be given.

On the numerical calculation of hydrodynamic shock waves in atmospheres by an FCT method

NASA Astrophysics Data System (ADS)

Schmitz, F.; Fleck, B.

1993-11-01

The numerical calculation of vertically propagating hydrodynamic shock waves in a plane atmosphere by the ETBFCT-version of the Flux Corrected Transport (FCT) method by Boris and Book is discussed. The results are compared with results obtained by a characteristic method with shock fitting. We show that the use of the internal energy density as a dependent variable instead of the total energy density can give very inaccurate results. Consequent discretization rules for the gravitational source terms are derived. The improvement of the results by an additional iteration step is discussed. It appears that the FCT method is an excellent method for the accurate calculation of shock waves in an atmosphere.

Performance of Kobryn-Gusarov-Kovalenko closure from a thermodynamic viewpoint for one-component Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Miyata, Tatsuhiko; Tange, Kentaro

2018-05-01

The performance of Kobryn-Gusarov-Kovalenko (KGK) closure was examined in terms of the thermodynamics for one-component Lennard-Jones fluids. The result was compared to molecular dynamics simulation as well as to hypernetted chain, Kovalenko-Hirata (KH), Percus-Yevick and Verlet-modified closures. As the density increases, the error of KGK closure shows a turnover, regarding the excess internal energy, pressure and isothermal compressibility. On the other hand, it was numerically confirmed that the energy and the virial equations are consistent under both KH and KGK closures. The accuracies of density-derivative and temperature-derivative of the radial distribution function are also discussed.

Is there a generalized anomeric effect? Analyses from energy components and information-theoretic quantities from density functional reactivity theory

NASA Astrophysics Data System (ADS)

Cao, Xiaofang; Liu, Shaoqian; Rong, Chunying; Lu, Tian; Liu, Shubin

2017-11-01

The nature and origin of the generalized anomeric effect is investigated with energy components and information-theoretic quantities from density functional reactivity theory. Forty-five systems with the general formula of R1-X-CH2-Y-R2 were examined, where R1 and R2 are functional groups and X and Y as electronegative heteroatoms. Our results show that in most cases the effect is valid, and the dominant contribution for the validity of the effect is from the electrostatic interaction. Other contributions such as steric and hyperconjugation play minor but indispensable roles. Its relationship with the conventional anomeric effect is compared and discussed.

Phonon-Assisted Resonant Tunneling of Electrons in Graphene-Boron Nitride Transistors.

PubMed

Vdovin, E E; Mishchenko, A; Greenaway, M T; Zhu, M J; Ghazaryan, D; Misra, A; Cao, Y; Morozov, S V; Makarovsky, O; Fromhold, T M; Patanè, A; Slotman, G J; Katsnelson, M I; Geim, A K; Novoselov, K S; Eaves, L

2016-05-06

We observe a series of sharp resonant features in the differential conductance of graphene-hexagonal boron nitride-graphene tunnel transistors over a wide range of bias voltages between 10 and 200 mV. We attribute them to electron tunneling assisted by the emission of phonons of well-defined energy. The bias voltages at which they occur are insensitive to the applied gate voltage and hence independent of the carrier densities in the graphene electrodes, so plasmonic effects can be ruled out. The phonon energies corresponding to the resonances are compared with the lattice dispersion curves of graphene-boron nitride heterostructures and are close to peaks in the single phonon density of states.

Solvent effects on polysulfide redox kinetics and ionic conductivity in lithium-sulfur batteries

DOE PAGES

Fan, Frank Y.; Pan, Menghsuan Sam; Lau, Kah Chun; ...

2016-11-25

Lithium-sulfur (Li-S) batteries have high theoretical energy density and low raw materials cost compared to present lithium-ion batteries and are thus promising for use in electric transportation and other applications. A major obstacle for Li-S batteries is low rate capability, especially at the low electrolyte/sulfur (E/S) ratios required for high energy density. Herein, we investigate several potentially rate-limiting factors for Li-S batteries. We study the ionic conductivity of lithium polysulfide solutions of varying concentration and in different ether-based solvents and their exchange current density on glassy carbon working electrodes. We believe this is the first such investigation of exchange currentmore » density for lithium polysulfide in solution. Exchange current densities are measured using both electrochemical impedance spectroscopy and steady-state galvanostatic polarization. In the range of interest (1-8 M [S]), the ionic conductivity monotonically decreases with increasing sulfur concentration while exchange current density shows a more complicated relationship to sulfur concentration. The electrolyte solvent dramatically affects ionic conductivity and exchange current density. Finally, the measured ionic conductivities and exchange current densities are also used to interpret the overpotential and rate capability of polysulfide-nanocarbon suspensions; this analysis demonstrates that ionic conductivity is the rate-limiting property in the solution regime (i.e. between Li 2S 8 and Li 2S 4).« less

Enhancement of high-speed flywheel energy storage via carbon-fiber composite reinforcement

NASA Astrophysics Data System (ADS)

Conteh, Michael Abu

This study on the enhancement of high-speed flywheel energy storage is to investigate composite materials that are suitable for high-speed, high-energy density for energy storage and/or energy recovery. The main motivation of the study is to explore the application of the flywheel in the aviation industry for recovering some of the energy that is currently being lost at the wheel brakes of an aircraft due to the high temperature developed in the brake stack as a result of landing, frequent brake applications during taxiing in or out of heavy traffic airports and rejected take-off. Lamina and laminate mechanical properties of materials suitable for flywheel high-speed energy storage were investigated. Design and optimum stress analysis were used to determine the shape factor, maximum stress and energy density for a flywheel with a constant stress disk and a constant thickness rim. Analytical studies along with the use of the CADEC-online software were used to evaluate the lamina and laminate properties. This study found that the use of hybrid composite material with higher strength (based on first ply failure strength) and lower density and lower elastic moduli for the disk than the rim material will yield high-speed and high-energy density. The materials designed based on the results from this study show outperformance compared to previous published results of standard flywheel material combinations. The safe rotational velocity and energy density were found to be 166,000 RPM and 2.73 MJ/kg respectively. Therefore, results from this study will contribute to aiding further development of the flywheel that has recently re-emerged as a promising application for energy storage due to significant improvements in composite materials and technology. Further study on flywheel energy recovery from aircraft brakes revealed that more than half of the energy dissipated at the wheel brake as heat could be recovered and converted to some useful form. In this way, the operating life of the brakes can be prolonged. The total additional weight to the aircraft was found to be less than 0.2% of the maximum take-off weight. This additional weight can be offset by reducing the design payload while ensuring that the structural efficiency of the aircraft is not altered. It was also found that, applying this method of flywheel energy recovery to active commercial Boeing-777 aircraft will result in savings equivalent to the annual carbon emission of a 6 MW fossil fuel power plant. This will also contribute to the aviation industry climate change mitigation.

Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality

PubMed Central

Patra, Abhirup; Bates, Jefferson E.; Sun, Jianwei; Perdew, John P.

2017-01-01

We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (100), and (110) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. We interpret the surface energy from liquid metal measurements as the mean of the solid-state surface energies over these three lowest-index crystal faces. We compare experimental (and random phase approximation) reference values to those of a family of nonempirical semilocal density functionals, from the basic local density approximation (LDA) to our most advanced general purpose meta-generalized gradient approximation, strongly constrained and appropriately normed (SCAN). The closest agreement is achieved by the simplest density functional LDA, and by the most sophisticated one, SCAN+rVV10 (Vydrov–Van Voorhis 2010). The long-range van der Waals interaction, incorporated through rVV10, increases the surface energies by about 10%, and increases the work functions by about 3%. LDA works for metal surfaces through two known error cancellations. The Perdew–Burke–Ernzerhof generalized gradient approximation tends to underestimate both surface energies (by about 24%) and work functions (by about 4%), yielding the least-accurate results. The amount by which a functional underestimates these surface properties correlates with the extent to which it neglects van der Waals attraction at intermediate and long range. Qualitative arguments are given for the signs of the van der Waals contributions to the surface energy and work function. A standard expression for the work function in Kohn–Sham (KS) theory is shown to be valid in generalized KS theory. Interlayer relaxations from different functionals are in reasonable agreement with one another, and usually with experiment. PMID:29042509

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)

The insertion torque-depth curve integral as a measure of implant primary stability: An in vitro study on polyurethane foam blocks.

PubMed

Di Stefano, Danilo Alessio; Arosio, Paolo; Gastaldi, Giorgio; Gherlone, Enrico

2017-07-08

Recent research has shown that dynamic parameters correlate with insertion energy-that is, the total work needed to place an implant into its site-might convey more reliable information concerning immediate implant primary stability at insertion than the commonly used insertion torque (IT), the reverse torque (RT), or the implant stability quotient (ISQ). Yet knowledge on these dynamic parameters is still limited. The purpose of this in vitro study was to evaluate whether an energy-related parameter, the torque-depth curve integral (I), could be a reliable measure of primary stability. This was done by assessing if (I) measurement was operator-independent, by investigating its correlation with other known primary stability parameters (IT, RT, or ISQ) by quantifying the (I) average error and correlating (I), IT, RT, and ISQ variations with bone density. Five operators placed 200 implants in polyurethane foam blocks of different densities using a micromotor that calculated the (I) during implant placement. Primary implant stability was assessed by measuring the ISQ, IT, and RT. ANOVA tests were used to evaluate whether measurements were operator independent (P>.05 in all cases). A correlation analysis was performed between (I) and IT, ISQ, and RT. The (I) average error was calculated and compared with that of the other parameters by ANOVA. (I)-density, IT-density, ISQ-density, and RT-density plots were drawn, and their slopes were compared by ANCOVA. The (I) measurements were operator independent and correlated with IT, ISQ, and RT. The average error of these parameters was not significantly different (P>.05 in all cases). The (I)-density, IT-density, ISQ-density, and RT-density curves were linear in the 0.16 to 0.49 g/cm³ range, with the (I)-density curves having a significantly greater slope than those regarding the other parameters (P≤.001 in all cases). The torque-depth curve integral (I) provides a reliable assessment of primary stability and shows a greater sensitivity to density variations than other known primary stability parameters. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Supercapacitors based on graphene-supported iron nanosheets as negative electrode materials.

PubMed

Long, Conglai; Wei, Tong; Yan, Jun; Jiang, Lili; Fan, Zhuangjun

2013-12-23

We report a facile strategy to prepare iron nanosheets directly grown on graphene sheets nanocomposite (C-PGF) through the carbonization of iron ions adsorbed onto polyaniline nanosheet/graphene oxide hybrid material. Because of the synergistic effect of iron nanosheets and graphene sheets, the as-obtained C-PGF exhibits an ultrahigh capacitance of ca. 720 F g(-1) in 6 M KOH aqueous solution. Additionally, the assembled asymmetric supercapacitor (C-PGF//Ni(OH)2/CNTs) delivers a remarkable high power density and a noticeable ultrahigh energy density of ca. 140 Wh kg(-1) (based on the total mass of active materials) and an acceptable cycling performance of 78% retention after 2000 cycles. Therefore, the designed supercapacitors with high energy density, comparable to rechargeable lithium-ion batteries (LIBs), offer an important guideline for future design of advanced next-generation supercapacitors for both industrial and consumer applications.

Investigation of the Electron Acceleration by a High-Power Laser and a Density-Tapered Mixed-Gas Cell

NASA Astrophysics Data System (ADS)

Kim, Jinju; Phung, Vanessa L. J.; Kim, Minseok; Hur, Min-Sup; Suk, Hyyong

2017-10-01

Plasma-based accelerators can generate about 1000 times stronger acceleration field compared with RF-based conventional accelerators, which can be done by high power laser and plasma. There are many issues in this research and one of them is development of a good plasma source for higher electron beam energy. For this purpose, we are investigating a special type of plasma source, which is a density-tapered gas cell with a mixed-gas for easy injection. By this type of special gas cell, we expect higher electron beam energies with easy injection in the wakefield. In this poster, some experimental results for electron beam generation with the density-tapered mixed-gas cell are presented. In addition to the experimental results, CFD (Computational-Fluid-Dynamics) and PIC (Particle-In-Cell) simulation results are also presented for comparison studies.

Experiment of constraining symmetry energy at supra-saturation density with π-/π+ at HIRFL-CSR

NASA Astrophysics Data System (ADS)

Zhang, Ming; Xiao, Zhi-Gang; Zhu, Sheng-Jiang

2010-08-01

The possibility of the experiment for constraining the symmetry energy Esym(ρ) at supra-densities via π-/π+ probe on the external target experiment of phase I (ETE(I)) with part coverage at forward angle at HIRFL-CSR is studied for the first time by using the isospin and momentum dependent hadronic transport model IBUU04. Based on the transport simulation with Au+Au collisions at 400 MeV/u, it is found that the differential π-/π+ ratios are more sensitive to Esym(ρ) at forward angles in laboratory reference, compared with the total yield ratio widely proposed. The insufficient coverage at lower transverse momentum maintains the sensitivity of the dependence of π-/π+ ratio on the Esym(ρ) at high density, indicating that the ETF (I) under construction in Lanzhou provides the possibility of performing the experiment for probing the asymmetric nuclear equation of state.

Effect of Divalent Cations on RED Performance and Cation Exchange Membrane Selection to Enhance Power Densities.

PubMed

Rijnaarts, Timon; Huerta, Elisa; van Baak, Willem; Nijmeijer, Kitty

2017-11-07

Reverse electrodialysis (RED) is a membrane-based renewable energy technology that can harvest energy from salinity gradients. The anticipated feed streams are natural river and seawater, both of which contain not only monovalent ions but also divalent ions. However, RED using feed streams containing divalent ions experiences lower power densities because of both uphill transport and increased membrane resistance. In this study, we investigate the effects of divalent cations (Mg 2+ and Ca 2+ ) on RED and demonstrate the mitigation of those effects using both novel and existing commercial cation exchange membranes (CEMs). Monovalent-selective Neosepta CMS is known to block divalent cations transport and can therefore mitigate reductions in stack voltage. The new multivalent-permeable Fuji T1 is able to transport divalent cations without a major increase in resistance. Both strategies significantly improve power densities compared to standard-grade CEMs when performing RED using streams containing divalent cations.

Correlations between emission timescale of fragments and isospin dynamics in 124Sn+64Ni and 112Sn+58Ni reactions at 35A MeV

NASA Astrophysics Data System (ADS)

De Filippo, E.; Pagano, A.; Russotto, P.; Amorini, F.; Anzalone, A.; Auditore, L.; Baran, V.; Berceanu, I.; Borderie, B.; Bougault, R.; Bruno, M.; Cap, T.; Cardella, G.; Cavallaro, S.; Chatterjee, M. B.; Chbihi, A.; Colonna, M.; D'Agostino, M.; Dayras, R.; Di Toro, M.; Frankland, J.; Galichet, E.; Gawlikowicz, W.; Geraci, E.; Grzeszczuk, A.; Guazzoni, P.; Kowalski, S.; La Guidara, E.; Lanzalone, G.; Lanzanò, G.; Le Neindre, N.; Lombardo, I.; Maiolino, C.; Papa, M.; Piasecki, E.; Pirrone, S.; Płaneta, R.; Politi, G.; Pop, A.; Porto, F.; Rivet, M. F.; Rizzo, F.; Rosato, E.; Schmidt, K.; Siwek-Wilczyńska, K.; Skwira-Chalot, I.; Trifirò, A.; Trimarchi, M.; Verde, G.; Vigilante, M.; Wieleczko, J. P.; Wilczyński, J.; Zetta, L.; Zipper, W.

2012-07-01

We present a new experimental method to correlate the isotopic composition of intermediate mass fragments (IMF) emitted at midrapidity in semiperipheral collisions with the emission timescale: IMFs emitted in the early stage of the reaction show larger values of isospin asymmetry, stronger angular anisotropies, and reduced odd-even staggering effects in neutron to proton ratio distributions than those produced in sequential statistical emission. All these effects support the concept of isospin “migration”, that is sensitive to the density gradient between participant and quasispectator nuclear matter, in the so called neck fragmentation mechanism. By comparing the data to a stochastic mean field (SMF) simulation we show that this method gives valuable constraints on the symmetry energy term of nuclear equation of state at subsaturation densities. An indication emerges for a linear density dependence of the symmetry energy.

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.

CuPc/Au(1 1 0): Determination of the azimuthal alignment by a combination of angle-resolved photoemission and density functional theory

PubMed Central

Lüftner, Daniel; Milko, Matus; Huppmann, Sophia; Scholz, Markus; Ngyuen, Nam; Wießner, Michael; Schöll, Achim; Reinert, Friedrich; Puschnig, Peter

2014-01-01

Here we report on a combined experimental and theoretical study on the structural and electronic properties of a monolayer of Copper-Phthalocyanine (CuPc) on the Au(1 1 0) surface. Low-energy electron diffraction reveals a commensurate overlayer unit cell containing one adsorbate species. The azimuthal alignment of the CuPc molecule is revealed by comparing experimental constant binding energy (kxky)-maps using angle-resolved photoelectron spectroscopy with theoretical momentum maps of the free molecule's highest occupied molecular orbital (HOMO). This structural information is confirmed by total energy calculations within the framework of van-der-Waals corrected density functional theory. The electronic structure is further analyzed by computing the molecule-projected density of states, using both a semi-local and a hybrid exchange-correlation functional. In agreement with experiment, the HOMO is located about 1.2 eV below the Fermi-level, while there is no significant charge transfer into the molecule and the CuPc LUMO remains unoccupied on the Au(1 1 0) surface. PMID:25284953

Measurements of density dependent intensity ratios of extreme ultraviolet line emission from Fe X, XI, and XII

NASA Astrophysics Data System (ADS)

Shimizu, Erina; Ali, Safdar; Tsuda, Takashi; Sakaue, Hiroyuki A.; Kato, Daiji; Murakami, Izumi; Hara, Hirohisa; Watanabe, Tetsuya; Nakamura, Nobuyuki

2017-05-01

We report high-resolution density dependent intensity ratio measurements for middle charge states of iron in the extreme ultraviolet (EUV) spectral wavelength range of 160-200 Å. The measurements were performed at the Tokyo EBIT laboratory by employing a flat-field grazing incidence spectrometer installed on a low energy compact electron beam ion trap. The intensity ratios for several line pairs stemming from Fe X, Fe XI and Fe XII were extracted from spectra collected at the electron beam energies of 340 and 400 eV by varying the beam current between 7.5 and 12 mA at each energy. In addition, the effective electron densities were obtained experimentally by imaging the electron beam profile and ion cloud size with a pinhole camera and visible spectrometer, respectively. In this paper, the experimental results are compared with previous data from the literature and with the present calculations performed using a collisional-radiative model. Our experimental results show a rather good agreement with the calculations and previous reported results.

Quasi-monoenergetic ion generation by hole-boring radiation pressure acceleration in inhomogeneous plasmas using tailored laser pulses

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

Weng, S. M., E-mail: weng-sm@ile.osaka-u.ac.jp; Murakami, M.; Azechi, H.

It is proposed that laser hole-boring at a steady speed in inhomogeneous overdense plasma can be realized by the use of temporally tailored intense laser pulses, producing high-fluence quasi-monoenergetic ion beams. A general temporal profile of such laser pulses is formulated for arbitrary plasma density distribution. As an example, for a precompressed deuterium-tritium fusion target with an exponentially increasing density profile, its matched laser profile for steady hole-boring is given theoretically and verified numerically by particle-in-cell simulations. Furthermore, we propose to achieve fast ignition by the in-situ hole-boring accelerated ions using a tailored laser pulse. Simulations show that the effectivemore » energy fluence, conversion efficiency, energy spread, and collimation of the resulting ion beam can be significantly improved as compared to those found with un-tailored laser profiles. For the fusion fuel with an areal density of 1.5 g cm{sup –2}, simulation indicates that it is promising to realize fast ion ignition by using a tailored driver pulse with energy about 65 kJ.« less

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

NASA Astrophysics Data System (ADS)

Murshid, Ghulam; Garg, Sahil

2018-05-01

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

Effects of carbon dioxide, Nd:YAG and carbon dioxide-Nd:YAG combination lasers at high energy densities on synthetic hydroxyaptite.

PubMed

Meurman, J H; Voegel, J C; Rauhamaa-Mäkinen, R; Gasser, P; Thomann, J M; Hemmerle, J; Luomanen, M; Paunio, I; Frank, R M

1992-01-01

The aim of this study was to determine the crystalline structure and chemical alterations of synthetic hydroxyapatite after irradiation with either CO2, Nd:YAG or CO2-Nd:YAG combination lasers at high energy densities of 500-3,230 J.cm2. Further, dissolution kinetics of the lased material were analysed and compared with those of unlased apatite. Electron microscopy showed that the lased material consisted of two kinds of crystals. From the micrographs their diameters varied from 600 to 1,200 A and from 3,000 to 6,000 A, respectively. The larger crystals showed 6.9-Angström periodic lattice fringes in the transmission electron microscope. alpha-Tricalcium phosphate (TCP) was identified by X-ray diffraction. Selective-area electron diffraction identified the large crystals to consist of tricalcium phosphate while the smaller crystals were probably hydroxyapatite. Assays of dissolution kinetics showed that at these high energy densities lased material dissolved more rapidly than unlased synthetic hydroxyapatite due to the higher solubility of TCP.

Scalable synthesis of hierarchically structured carbon nanotube-graphene fibres for capacitive energy storage

NASA Astrophysics Data System (ADS)

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

2014-07-01

Micro-supercapacitors are promising energy storage devices that can complement or even replace batteries in miniaturized portable electronics and microelectromechanical systems. Their main limitation, however, is the low volumetric energy density when compared with batteries. Here, we describe a hierarchically structured carbon microfibre made of an interconnected network of aligned single-walled carbon nanotubes with interposed nitrogen-doped reduced graphene oxide sheets. The nanomaterials form mesoporous structures of large specific surface area (396 m2 g-1) and high electrical conductivity (102 S cm-1). We develop a scalable method to continuously produce the fibres using a silica capillary column functioning as a hydrothermal microreactor. The resultant fibres show a specific volumetric capacity as high as 305 F cm-3 in sulphuric acid (measured at 73.5 mA cm-3 in a three-electrode cell) or 300 F cm-3 in polyvinyl alcohol (PVA)/H3PO4 electrolyte (measured at 26.7 mA cm-3 in a two-electrode cell). A full micro-supercapacitor with PVA/H3PO4 gel electrolyte, free from binder, current collector and separator, has a volumetric energy density of ~6.3 mWh cm-3 (a value comparable to that of 4 V-500 µAh thin-film lithium batteries) while maintaining a power density more than two orders of magnitude higher than that of batteries, as well as a long cycle life. To demonstrate that our fibre-based, all-solid-state micro-supercapacitors can be easily integrated into miniaturized flexible devices, we use them to power an ultraviolet photodetector and a light-emitting diode.

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

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

Nishimoto, Yoshio, E-mail: nishimoto.yoshio@fukui.kyoto-u.ac.jp

2015-09-07

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

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

PubMed

Nishimoto, Yoshio

2015-09-07

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

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 charged RED membranes, severely reducing the permselectivity and diminishing the energy conversion efficiency. This study indicates that PRO is more suitable to extract energy from a range of salinity gradients, while significant advancements in ion exchange membranes are likely necessary for RED to be competitive with PRO.

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 the charged RED membranes, severely reducing the permselectivity and diminishing the energy conversion efficiency. This study indicates that PRO is more suitable to extract energy from a range of salinity gradients, while significant advancements in ion exchange membranes are likely necessary for RED to be competitive with PRO.« less

Solid-State Thin-Film Supercapacitors with Ultrafast Charge/Discharge Based on N-Doped-Carbon-Tubes/Au-Nanoparticles-Doped-MnO2 Nanocomposites.

PubMed

Lv, Qiying; Wang, Shang; Sun, Hongyu; Luo, Jun; Xiao, Jian; Xiao, JunWu; Xiao, Fei; Wang, Shuai

2016-01-13

Although carbonaceous materials possess long cycle stability and high power density, their low-energy density greatly limits their applications. On the contrary, metal oxides are promising pseudocapacitive electrode materials for supercapacitors due to their high-energy density. Nevertheless, poor electrical conductivity of metal oxides constitutes a primary challenge that significantly limits their energy storage capacity. Here, an advanced integrated electrode for high-performance pseudocapacitors has been designed by growing N-doped-carbon-tubes/Au-nanoparticles-doped-MnO2 (NCTs/ANPDM) nanocomposite on carbon fabric. The excellent electrical conductivity and well-ordered tunnels of NCTs together with Au nanoparticles of the electrode cause low internal resistance, good ionic contact, and thus enhance redox reactions for high specific capacitance of pure MnO2 in aqueous electrolyte, even at high scan rates. A prototype solid-state thin-film symmetric supercapacitor (SSC) device based on NCTs/ANPDM exhibits large energy density (51 Wh/kg) and superior cycling performance (93% after 5000 cycles). In addition, the asymmetric supercapacitor (ASC) device assembled from NCTs/ANPDM and Fe2O3 nanorods demonstrates ultrafast charge/discharge (10 V/s), which is among the best reported for solid-state thin-film supercapacitors with both electrodes made of metal oxide electroactive materials. Moreover, its superior charge/discharge behavior is comparable to electrical double layer type supercapacitors. The ASC device also shows superior cycling performance (97% after 5000 cycles). The NCTs/ANPDM nanomaterial demonstrates great potential as a power source for energy storage devices.

Harvesting the decay energy of 26Al to drive lightning discharge in protoplanetary discs

NASA Astrophysics Data System (ADS)

Johansen, Anders; Okuzumi, Satoshi

2018-01-01

Chondrules in primitive meteorites likely formed by recrystallisation of dust aggregates that were flash-heated to nearly complete melting. Chondrules may represent the building blocks of rocky planetesimals and protoplanets in the inner regions of protoplanetary discs, but the source of ubiquitous thermal processing of their dust aggregate precursors remains elusive. Here we demonstrate that escape of positrons released in the decay of the short-lived radionuclide 26Al leads to a large-scale charging of dense pebble structures, resulting in neutralisation by lightning discharge and flash-heating of dust and pebbles. This charging mechanism is similar to a nuclear battery where a radioactive source charges a capacitor. We show that the nuclear battery effect operates in circumplanetesimal pebble discs. The extremely high pebble densities in such discs are consistent with conditions during chondrule heating inferred from the high abundance of sodium within chondrules. The sedimented mid-plane layer of the protoplanetary disc may also be prone to charging by the emission of positrons, if the mass density of small dust there is at least an order of magnitude above the gas density. Our results imply that the decay energy of 26Al can be harvested to drive intense lightning activity in protoplanetary discs. The total energy stored in positron emission is comparable to the energy needed to melt all solids in the protoplanetary disc. The efficiency of transferring the positron energy to the electric field nevertheless depends on the relatively unknown distribution and scale-dependence of pebble density gradients in circumplanetesimal pebble discs and in the protoplanetary disc mid-plane layer.

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

The effect of ambient pressure on well chamber response: Monte Carlo calculated results for the HDR 1000 plus.

PubMed

Bohm, Tim D; Griffin, Sheridan L; DeLuca, Paul M; DeWerd, Larry A

2005-04-01

The determination of the air kerma strength of a brachytherapy seed is necessary for effective treatment planning. Well ionization chambers are used on site at therapy clinics to determine the air kerma strength of seeds. In this work, the response of the Standard Imaging HDR 1000 Plus well chamber to ambient pressure is examined using Monte Carlo calculations. The experimental work examining the response of this chamber as well as other chambers is presented in a companion paper. The Monte Carlo results show that for low-energy photon sources, the application of the standard temperature pressure PTP correction factor produces an over-response at the reduced air densities/pressures corresponding to high elevations. With photon sources of 20 to 40 keV, the normalized PTP corrected chamber response is as much as 10% to 20% over unity for air densities/pressures corresponding to an elevation of 3048 m (10000 ft) above sea level. At air densities corresponding to an elevation of 1524 m (5000 ft), the normalized PTP-corrected chamber response is 5% to 10% over unity for these photon sources. With higher-energy photon sources (>100 keV), the normalized PTP corrected chamber response is near unity. For low-energy beta sources of 0.25 to 0.50 MeV, the normalized PTP-corrected chamber response is as much as 4% to 12% over unity for air densities/pressures corresponding to an elevation of 3048 m (10000 ft) above sea level. Higher-energy beta sources (>0.75 MeV) have a normalized PTP corrected chamber response near unity. Comparing calculated and measured chamber responses for common 103Pd- and 125I-based brachytherapy seeds show agreement to within 2.7% and 1.9%, respectively. Comparing MCNP calculated chamber responses with EGSnrc calculated chamber responses show agreement to within 3.1% at photon energies of 20 to 40 keV. We conclude that Monte Carlo transport calculations accurately model the response of this well chamber. Further, applying the standard PTP correction factor for this well chamber is insufficient in accounting for the change in chamber response with air pressure for low-energy (<100 keV) photon and low-energy (<0.75 MeV)beta sources.

Analysis of Electronic Densities and Integrated Doses in Multiform Glioblastomas Stereotactic Radiotherapy

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

Baron-Aznar, C.; Moreno-Jimenez, S.; Celis, M. A.

2008-08-11

Integrated dose is the total energy delivered in a radiotherapy target. This physical parameter could be a predictor for complications such as brain edema and radionecrosis after stereotactic radiotherapy treatments for brain tumors. Integrated Dose depends on the tissue density and volume. Using CT patients images from the National Institute of Neurology and Neurosurgery and BrainScan(c) software, this work presents the mean density of 21 multiform glioblastomas, comparative results for normal tissue and estimated integrated dose for each case. The relationship between integrated dose and the probability of complications is discussed.

Accuracy of electron densities obtained via Koopmans-compliant hybrid functionals

NASA Astrophysics Data System (ADS)

Elmaslmane, A. R.; Wetherell, J.; Hodgson, M. J. P.; McKenna, K. P.; Godby, R. W.

2018-04-01

We evaluate the accuracy of electron densities and quasiparticle energy gaps given by hybrid functionals by directly comparing these to the exact quantities obtained from solving the many-electron Schrödinger equation. We determine the admixture of Hartree-Fock exchange to approximate exchange-correlation in our hybrid functional via one of several physically justified constraints, including the generalized Koopmans' theorem. We find that hybrid functionals yield strikingly accurate electron densities and gaps in both exchange-dominated and correlated systems. We also discuss the role of the screened Fock operator in the success of hybrid functionals.

Fusion reaction cross-sections using the Wong model within Skyrme energy density based semiclassical extended Thomas Fermi approach

NASA Astrophysics Data System (ADS)

Kumar, Raj; Sharma, Manoj K.; Gupta, Raj K.

2011-11-01

First, the nuclear proximity potential, obtained by using the semiclassical extended Thomas Fermi (ETF) approach in Skyrme energy density formalism (SEDF), is shown to give more realistic barriers in frozen density approximation, as compared to the sudden approximation. Then, taking advantage of the fact that, in ETF method, different Skyrme forces give different barriers (height, position and curvature), we use the ℓ-summed extended-Wong model of Gupta and collaborators (2009) [1] under frozen densities approximation for calculating the cross-sections, where the Skyrme force is chosen with proper barrier characteristics, not-requiring additional "barrier modification" effects (lowering or narrowing, etc.), for a best fit to data at sub-barrier energies. The method is applied to capture cross-section data from 48Ca + 238U, 244Pu, and 248Cm reactions and to fusion-evaporation cross-sections from 58Ni + 58Ni, 64Ni + 64Ni, and 64Ni + 100Mo reactions, with effects of deformations and orientations of nuclei included, wherever required. Interestingly, whereas the capture cross-sections in Ca-induced reactions could be fitted to any force, such as SIII, SV and GSkI, by allowing a small change of couple of units in deduced ℓ-values at below-barrier energies, the near-barrier data point of 48Ca + 248Cm reaction could not be fitted to ℓ-values deduced for below-barrier energies, calling for a check of data. On the other hand, the fusion-evaporation cross-sections in Ni-induced reactions at sub-barrier energies required different Skyrme forces, representing "modifications of the barrier", for the best fit to data at all incident center-of-mass energies E's, displaying a kind of fusion hindrance at sub-barrier energies. This barrier modification effect is taken into care here by using different Skyrme forces for reactions belonging to different regions of the periodic table. Note that more than one Skyrme force (with identical barrier characteristics) could equally well fit the same data.

Acoustic power balance in lined ducts

NASA Technical Reports Server (NTRS)

Eversman, W.

1979-01-01

It is shown that the two common definitions of acoustic energy density and intensity in uniform unlined ducts carrying uniform flow are compatible to the extent that both energy densities can be used in an appropriate variational principle to derive the convected wave equation. When the duct walls are lined both energy densities must be modified to account for the wall energy density. This results in a new energy conservation equation which utilizes a modified definition of axial power and accounts for wall dissipation. Computations in specific cases demonstrate the validity of the modified acoustic energy relation.

Highly compressible three-dimensional graphene hydrogel for foldable all-solid-state supercapacitor

NASA Astrophysics Data System (ADS)

Liu, Xianbin; Zou, Shuai; Liu, Kaixi; Lv, Chao; Wu, Ziping; Yin, Yanhong; Liang, Tongxiang; Xie, Zailai

2018-04-01

The fabrication of three-dimensional (3D) graphene-based macroscopic materials with superior mechanical and electrical properties for flexible energy storage devices is still extremely challenging. Here, we report a novel 3D graphene hydrogel decorated by the biomass phytic acid (PAGH) with developed porosity and strengthen mechanical property via hydrothermal and freeze-drying methods. The phytic acid molecules are intercalated into the graphene sheets, enabling robust network structure. This induces the formation of materials with larger specific surface area, lower density and enhanced compressive strength compared with pure GH. When directly employed as an electrode, the PAGH exhibits a high specific capacitance of 248.8 F g-1 at 1 A g-1 and excellent rate performance of 67.9% as current density increasing to 20 A g-1. Furthermore, the all-solid-state supercapacitor based PAGH can deliver outstanding cycle life (86.2% after cycling 10,000 times), glorious energy density (26.5 Wh kg-1) and power density (5135.1 W kg-1). The prepared device shows stable electrochemical behaviors at random bending angles. Therefore, the present work will open a new avenue to design and fabricate new flexible and portable graphene-based electrodes for future applications in energy storage devices.

(16) {C}16C-elastic scattering examined using several models at different energies

NASA Astrophysics Data System (ADS)

El-hammamy, M. N.; Attia, A.

2018-05-01

In the present paper, the first results concerning the theoretical analysis of the ^{16}C + p reaction by investigating two elastic scattering angular distributions measured at high energy compared to low energy for this system are reported. Several models for the real part of the nuclear potential are tested within the optical model formalism. The imaginary potential has a Woods-Saxon shape with three free parameters. Two types of density distribution and three different cluster structures for ^{16}C are assumed in the analysis. The results are compared with each other as well as with the experimental data to give evidence of the importance of these studied items.

Frequency Upconversion and Parametric Surface Instabilities in Microwave Plasma Interactions.

NASA Astrophysics Data System (ADS)

Rappaport, Harold Lee

In this thesis the interaction of radiation with plasmas whose density profiles are nearly step functions of space and/or time are studied. The wavelengths of radiation discussed are large compared with plasma density gradient scale lengths. The frequency spectra are evaluated and the energy balance investigated for the transmitted and reflected transient electromagnetic waves that are generated when a monochromatic source drives a finite width plasma in which a temporal step increase in density occurs. Transmission resonances associated with the abrupt boundaries manifest themselves as previously unreported multiple frequency peaks in the transmitted electromagnetic spectrum. A tunneling effect is described in which a burst of energy is transmitted from the plasma immediately following a temporal density transition. Stability of an abruptly bounded plasma, one for which the incident radiation wavelength is large compared with the plasma density gradient scale length, is investigated for both s and p polarized radiation types. For s-polarized radiation a new formalism is introduced in which pump induced perturbations are expressed as an explicit superposition of linear and non-linear plasma half-space modes. Results for a particular regime and a summary of relevant literature is presented. We conclude that when s-polarized radiation acts alone on an abrupt diffusely bounded underdense plasma stimulated excitation of electron surface modes is suppressed. For p-polarized radiation the recently proposed Lagrangian Frame Two-Plasmon Decay mode (LFTPD) ^dag is investigated in the regime in which the instability is not resonantly coupled to surface waves propagating along the boundary region. In this case, spatially dependent growth rate profiles and spatially dependent transit layer magnetic fields are reported. The regime is of interest because we have found that when the perturbation wavenumber parallel to the boundary is less than the pump frequency divided by twice the speed of light, energy radiates from the boundary region and these emissions can serve as an experimental signature for this mode. The theory of surface wave linear mode conversion is reviewed with special attention paid to power flow and energy conservation in this system. ftn^ dagYu. M. Aliev and G. Brodin, Phys. Rev. A 42, 2374 (1990).

Obesity-Related Eating Behaviors Are Associated with Higher Food Energy Density and Higher Consumption of Sugary and Alcoholic Beverages: A Cross-Sectional Study

PubMed Central

Muñoz-Pareja, Maritza; Guallar-Castillón, Pilar; Mesas, Arthur E.; López-García, Esther; Rodríguez-Artalejo, Fernando

2013-01-01

Objectives Obesity-related eating behaviors (OREB) are associated with higher energy intake. Total energy intake can be decomposed into the following constituents: food portion size, food energy density, the number of eating occasions, and the energy intake from energy-rich beverages. To our knowledge this is the first study to examine the association between the OREB and these energy components. Methods Data were taken from a cross-sectional study conducted in 2008–2010 among 11,546 individuals representative of the Spanish population aged ≥18 years. Information was obtained on the following 8 self-reported OREB: not planning how much to eat before sitting down, eating precooked/canned food or snacks bought at vending machines or at fast-food restaurants, not choosing low-energy foods, not removing visible fat from meat or skin from chicken, and eating while watching TV. Usual diet was assessed with a validated diet history. Analyses were performed with linear regression with adjustment for main confounders. Results Compared to individuals with ≤1 OREB, those with ≥5 OREB had a higher food energy density (β 0.10; 95% CI 0.08, 0.12 kcal/g/day; p-trend<0.001) and a higher consumption of sugary drinks (β 7; 95% CI −7, 20 ml/day; p-trend<0.05) and of alcoholic beverages (β 24; 95% CI 10, 38 ml/day; p-trend<0.001). Specifically, a higher number of OREB was associated with higher intake of dairy products and red meat, and with lower consumption of fresh fruit, oily fish and white meat. No association was found between the number of OREB and food portion size or the number of eating occasions. Conclusions OREB were associated with higher food energy density and higher consumption of sugary and alcoholic beverages. Avoiding OREB may prove difficult because they are firmly socially rooted, but these results may nevertheless serve to palliate the undesirable effects of OREB by reducing the associated energy intake. PMID:24204756