Thickness-dependent phase transition in graphite under high magnetic field

NASA Astrophysics Data System (ADS)

Taen, Toshihiro; Uchida, Kazuhito; Osada, Toshihito

2018-03-01

Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at B ≃30 T is still not clear, while an exotic density-wave state is theoretically proposed. In order to identify the electronic state of the insulator phase, we investigate the phase transition in thin-film graphite samples that were fabricated on silicon substrate by a mechanical exfoliation method. The critical magnetic fields of the semimetal-insulator transition in thin-film graphite shift to higher magnetic fields, accompanied by a reduction in temperature dependence. These results can be qualitatively reproduced by a density-wave model by introducing a quantum size effect. Our findings establish the electronic state of the insulator phase as a density-wave state standing along the out-of-plane direction, and help determine the electronic states in other high-magnetic-field phases.

High density, optically corrected, micro-channel cooled, v-groove monolithic laser diode array

DOEpatents

Freitas, Barry L.

1998-01-01

An optically corrected, micro-channel cooled, high density laser diode array achieves stacking pitches to 33 bars/cm by mounting laser diodes into V-shaped grooves. This design will deliver>4kW/cm2 of directional pulsed laser power. This optically corrected, micro-channel cooled, high density laser is usable in all solid state laser systems which require efficient, directional, narrow bandwidth, high optical power density pump sources.

Z-Scan Analysis: a New Method to Determine the Oxidative State of Low-Density Lipoprotein and Its Association with Multiple Cardiometabolic Biomarkers

NASA Astrophysics Data System (ADS)

de Freitas, Maria Camila Pruper; Figueiredo Neto, Antonio Martins; Giampaoli, Viviane; da Conceição Quintaneiro Aubin, Elisete; de Araújo Lima Barbosa, Milena Maria; Damasceno, Nágila Raquel Teixeira

2016-04-01

The great atherogenic potential of oxidized low-density lipoprotein has been widely described in the literature. The objective of this study was to investigate whether the state of oxidized low-density lipoprotein in human plasma measured by the Z-scan technique has an association with different cardiometabolic biomarkers. Total cholesterol, high-density lipoprotein cholesterol, triacylglycerols, apolipoprotein A-I and apolipoprotein B, paraoxonase-1, and glucose were analyzed using standard commercial kits, and low-density lipoprotein cholesterol was estimated using the Friedewald equation. A sandwich enzyme-linked immunosorbent assay was used to detect electronegative low-density lipoprotein. Low-density lipoprotein and high-density lipoprotein sizes were determined by Lipoprint® system. The Z-scan technique was used to measure the non-linear optical response of low-density lipoprotein solution. Principal component analysis and correlations were used respectively to resize the data from the sample and test association between the θ parameter, measured with the Z-scan technique, and the principal component. A total of 63 individuals, from both sexes, with mean age 52 years (±11), being overweight and having high levels of total cholesterol and low levels of high-density lipoprotein cholesterol, were enrolled in this study. A positive correlation between the θ parameter and more anti-atherogenic pattern for cardiometabolic biomarkers together with a negative correlation for an atherogenic pattern was found. Regarding the parameters related with an atherogenic low-density lipoprotein profile, the θ parameter was negatively correlated with a more atherogenic pattern. By using Z-scan measurements, we were able to find an association between oxidized low-density lipoprotein state and multiple cardiometabolic biomarkers in samples from individuals with different cardiovascular risk factors.

Simultaneous Conduction and Valence Band Quantization in Ultrashallow High-Density Doping Profiles in Semiconductors

NASA Astrophysics Data System (ADS)

Mazzola, F.; Wells, J. W.; Pakpour-Tabrizi, A. C.; Jackman, R. B.; Thiagarajan, B.; Hofmann, Ph.; Miwa, J. A.

2018-01-01

We demonstrate simultaneous quantization of conduction band (CB) and valence band (VB) states in silicon using ultrashallow, high-density, phosphorus doping profiles (so-called Si:P δ layers). We show that, in addition to the well-known quantization of CB states within the dopant plane, the confinement of VB-derived states between the subsurface P dopant layer and the Si surface gives rise to a simultaneous quantization of VB states in this narrow region. We also show that the VB quantization can be explained using a simple particle-in-a-box model, and that the number and energy separation of the quantized VB states depend on the depth of the P dopant layer beneath the Si surface. Since the quantized CB states do not show a strong dependence on the dopant depth (but rather on the dopant density), it is straightforward to exhibit control over the properties of the quantized CB and VB states independently of each other by choosing the dopant density and depth accordingly, thus offering new possibilities for engineering quantum matter.

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.

High density, optically corrected, micro-channel cooled, v-groove monolithic laser diode array

DOEpatents

Freitas, B.L.

1998-10-27

An optically corrected, micro-channel cooled, high density laser diode array achieves stacking pitches to 33 bars/cm by mounting laser diodes into V-shaped grooves. This design will deliver > 4kW/cm{sup 2} of directional pulsed laser power. This optically corrected, micro-channel cooled, high density laser is usable in all solid state laser systems which require efficient, directional, narrow bandwidth, high optical power density pump sources. 13 figs.

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

PubMed

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

2015-11-18

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

7 CFR 319.8-8 - Lint, linters, and waste.

Code of Federal Regulations, 2012 CFR

2012-01-01

... Importation and Entry of Cotton and Covers § 319.8-8 Lint, linters, and waste. (a) Compressed to high density. (1)(i) Entry of lint, linters, and waste, compressed to high density, will be authorized subject to... to high density arriving at a port in the State of California where there are no approved fumigation...

Density-Pressure Profiles of Fe-Bearing MgSiO3 Liquid: Effects of Valence and Spin States, and Implications for the Chemical Evolution of the Lower Mantle

NASA Astrophysics Data System (ADS)

Karki, Bijaya B.; Ghosh, Dipta B.; Maharjan, Charitra; Karato, Shun-ichiro; Park, Jeffrey

2018-05-01

Density is a key property controlling the chemical state of Earth's interior. Our knowledge about the density of relevant melt compositions is currently poor at deep-mantle conditions. Here we report results from first-principles molecular-dynamics simulations of Fe-bearing MgSiO3 liquids considering different valence and spin states of iron over the whole mantle pressure conditions. Our simulations predict the high-spin to low-spin transition in both ferrous and ferric iron in the silicate liquid to occur gradually at pressures around 100 GPa. The calculated iron-induced changes in the melt density (about 8% increase for 25% iron content) are primarily due to the difference in atomic mass between Mg and Fe, with smaller contributions (<2%) from the valence and spin states. A comparison of the predicted density of mixtures of (Mg,Fe)(Si,Fe)O3 and (Mg,Fe)O liquids with the mantle density indicates that the density contrast between the melt and residual-solid depends strongly on pressure (depth): in the shallow lower mantle (depths < 1,000 km), the melt is lighter than the solids, whereas in the deep lower mantle (e.g., the D″ layer), the melt density exceeds the mantle density when iron content is relatively high and/or melt is enriched with Fe-rich ferropericlase.

Solid-state modeling of the terahertz spectrum of the high explosive HMX.

PubMed

Allis, Damian G; Prokhorova, Darya A; Korter, Timothy M

2006-02-09

The experimental solid-state terahertz (THz) spectrum (3-120 cm(-1)) of the beta-crystal form of the high explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) has been analyzed using solid-state density functional theory calculations. Various density functionals (both generalized gradient approximation and local density approximation) are compared in terms of their abilities to reproduce the experimentally observed solid-state structure and low-frequency vibrational motions. Good-to-excellent agreement between solid-state theory and experiment can be achieved in the THz region where isolated-molecule calculations fail to reproduce the observed spectral features, demonstrating a clear limitation of using isolated-molecule calculations for the assignment of THz frequency motions in molecular solids. The deficiency of isolated-molecule calculations is traced to modification of the molecular structure in the solid state through crystal packing effects and the formation of weak C-H...O hydrogen bonds.

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

PubMed

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

2017-04-01

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

Metalloid Aluminum Clusters with Fluorine

DTIC Science & Technology

2016-12-01

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

An investigation of Ar metastable state density in low pressure dual-frequency capacitively coupled argon and argon-diluted plasmas

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

Liu, Wen-Yao; Xu, Yong, E-mail: yongxu@dlut.edu.cn; Peng, Fei

2015-01-14

An tunable diode laser absorption spectroscopy has been used to determine the Ar*({sup 3}P{sub 2}) and Ar*({sup 3}P{sub 0}) metastable atoms densities in dual-frequency capacitively coupled plasmas. The effects of different control parameters, such as high-frequency power, gas pressure and content of Ar, on the densities of two metastable atoms and electron density were discussed in single-frequency and dual-frequency Ar discharges, respectively. Particularly, the effects of the pressure on the axial profile of the electron and Ar metastable state densities were also discussed. Furthermore, a simple rate model was employed and its results were compared with experiments to analyze themore » main production and loss processes of Ar metastable states. It is found that Ar metastable state is mainly produced by electron impact excitation from the ground state, and decayed by diffusion and collision quenching with electrons and neutral molecules. Besides, the addition of CF{sub 4} was found to significantly increase the metastable destruction rate by the CF{sub 4} quenching, especially for large CF{sub 4} content and high pressure, it becomes the dominant depopulation process.« less

Structural relaxation and thermal conductivity of high-pressure formed, high-density di-n-butyl phthalate glass and pressure induced departures from equilibrium state

NASA Astrophysics Data System (ADS)

Johari, G. P.; Andersson, Ove

2017-06-01

We report a study of structural relaxation of high-density glasses of di-n-butyl phthalate (DBP) by measuring thermal conductivity, κ, under conditions of pressure and temperature (p,T) designed to modify both the vibrational and configurational states of a glass. Various high-density glassy states of DBP were formed by (i) cooling the liquid under a fixed high p and partially depressurizing the glass, (ii) isothermal annealing of the depressurized glass, and (iii) pressurizing the glass formed by cooling the liquid under low p. At a given low p, κ of the glass formed by cooling under high p is higher than that of the glass formed by cooling under low p, and the difference increases as glass formation p is increased. κ of the glass formed under 1 GPa is ˜20% higher at ambient p than κ of the glass formed at ambient p. On heating at low p, κ decreases until the glass to liquid transition range is reached. This is the opposite of the increase in κ observed when a glass formed under a certain p is heated under the same p. At a given high p, κ of the low-density glass formed by cooling at low p is lower than that of the high-density glass formed by cooling at that high p. On heating at high p, κ increases until the glass to liquid transition range is reached. The effects observed are due to a thermally assisted approach toward equilibrium at p different from the glass formation p. In all cases, the density, enthalpy, and entropy would change until the glasses become metastable liquids at a fixed p, thus qualitatively relating κ to variation in these properties.

High Precision 2-D Grating Groove Density Measurement

NASA Astrophysics Data System (ADS)

Zhang, Ningxiao; McEntaffer, Randall; Tedesco, Ross

2017-08-01

Our research group at Penn State University is working on producing X-ray reflection gratings with high spectral resolving power and high diffraction efficiency. To estimate our fabrication accuracy, we apply a precise 2-D grating groove density measurement to plot groove density distributions of gratings on 6-inch wafers. In addition to plotting a fixed groove density distribution, this method is also sensitive to measuring the variation of the groove density simultaneously. This system can reach a measuring accuracy (ΔN/N) of 10-3. Here we present this groove density measurement and some applications.

Thermodynamically constrained correction to ab initio equations of state

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

French, Martin; Mattsson, Thomas R.

2014-07-07

We show how equations of state generated by density functional theory methods can be augmented to match experimental data without distorting the correct behavior in the high- and low-density limits. The technique is thermodynamically consistent and relies on knowledge of the density and bulk modulus at a reference state and an estimation of the critical density of the liquid phase. We apply the method to four materials representing different classes of solids: carbon, molybdenum, lithium, and lithium fluoride. It is demonstrated that the corrected equations of state for both the liquid and solid phases show a significantly reduced dependence ofmore » the exchange-correlation functional used.« less

Gravity dual of spin and charge density waves

NASA Astrophysics Data System (ADS)

Jokela, Niko; Järvinen, Matti; Lippert, Matthew

2014-12-01

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and spin density wave. We analyze the phase structure of the model as a function of chemical potential and magnetic field and find the phase transition from the homogeneous state to be first order, with a second-order critical point at zero magnetic field.

Drafting Recommendations for a Shared Statewide High-Density Storage Facility: Experiences with the State University Libraries of Florida Proposal

ERIC Educational Resources Information Center

Walker, Ben

2008-01-01

In August 2007, an $11.2 million proposal for a shared statewide high-density storage facility was submitted to the Board of Governors, the governing body of the State University System in Florida. The project was subsequently approved at a slightly lower level and funding was delayed until 2010/2011. The experiences of coordinating data…

Freestanding mesoporous VN/CNT hybrid electrodes for flexible all-solid-state supercapacitors.

PubMed

Xiao, Xu; Peng, Xiang; Jin, Huanyu; Li, Tianqi; Zhang, Chengcheng; Gao, Biao; Hu, Bin; Huo, Kaifu; Zhou, Jun

2013-09-25

High-performance all-solid-state supercapacitors (SCs) are fabricated based on thin, lightweight, and flexible freestanding MVNN/CNT hybrid electrodes. The device shows a high volume capacitance of 7.9 F/cm(3) , volume energy and power density of 0.54 mWh/cm(3) and 0.4 W/cm(3) at a current density of 0.025 A/cm(3) . By being highly flexible, environmentally friendly, and easily connectable in series and parallel, the all-solid-state SCs promise potential applications in portable/wearable electronics. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Density-dependent natural selection and trade-offs in life history traits.

PubMed

Mueller, L D; Guo, P Z; Ayala, F J

1991-07-26

Theories of density-dependent natural selection state that at extreme population densities evolution produces alternative life histories due to trade-offs. The trade-offs are presumed to arise because those genotypes with highest fitness at high population densities will not also have high fitness at low density and vice-versa. These predictions were tested by taking samples from six populations of Drosophila melanogaster kept at low population densities (r-populations) for nearly 200 generations and placing them in crowded cultures (K-populations). After 25 generations in the crowded cultures, the derived K-populations showed growth rate and productivity that at high densities were elevated relative to the controls, but at low density were depressed.

The electrical behavior of GaAs-insulator interfaces - A discrete energy interface state model

NASA Technical Reports Server (NTRS)

Kazior, T. E.; Lagowski, J.; Gatos, H. C.

1983-01-01

The relationship between the electrical behavior of GaAs Metal Insulator Semiconductor (MIS) structures and the high density discrete energy interface states (0.7 and 0.9 eV below the conduction band) was investigated utilizing photo- and thermal emission from the interface states in conjunction with capacitance measurements. It was found that all essential features of the anomalous behavior of GaAs MIS structures, such as the frequency dispersion and the C-V hysteresis, can be explained on the basis of nonequilibrium charging and discharging of the high density discrete energy interface states.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

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

PubMed

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

2018-01-01

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

Wearable Solid-State Supercapacitors Operating at High Working Voltage with a Flexible Nanocomposite Electrode.

PubMed

Li, Xiaoyan; Wang, Jun; Zhao, Yaping; Ge, Fengyan; Komarneni, Sridhar; Cai, Zaisheng

2016-10-05

The proposed approach for fabricating ultralight self-sustained electrodes facilitates the structural integration of highly flexible carbon nanofibers, amino-modified multiwalled carbon nanotubes (AM-MWNT), and MnO 2 nanoflakes for potential use in wearable supercapacitors. Because of the higher orientation of AM-MWNT and the sublimation of terephthalic acid (PTA) in the carbonization process, freestanding electrodes could be realized with high porosity and flexibility and could possess remarkable electrochemical properties without using polymer substrates. Wearable symmetric solid-state supercapacitors were further assembled using a LiCl/PVA gel electrolyte, which exhibit a maximum energy density of 44.57 Wh/kg (at a power density of 337.1 W/kg) and a power density of 13330 W/kg (at an energy density of 19.64 Wh/kg) with a working voltage as high as 1.8 V. Due to the combination of several favorable traits such as flexibility, high energy density, and excellent electrochemical cyclability, the presently developed wearable supercapacitors with wide potential windows are expected to be useful for new kinds of portable electric devices.

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

PubMed

Watanabe, Sadayuki; Furube, Akihiro; Katoh, Ryuzi

2006-08-31

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

Efficient Suppression of Defects and Charge Trapping in High Density In-Sn-Zn-O Thin Film Transistor Prepared using Microwave-Assisted Sputter.

PubMed

Goh, Youngin; Ahn, Jaehan; Lee, Jeong Rak; Park, Wan Woo; Ko Park, Sang-Hee; Jeon, Sanghun

2017-10-25

Amorphous oxide semiconductor-based thin film transistors (TFTs) have been considered as excellent switching elements for driving active-matrix organic light-emitting diodes (AMOLED) owing to their high mobility and process compatibility. However, oxide semiconductors have inherent defects, causing fast transient charge trapping and device instability. For the next-generation displays such as flexible, wearable, or transparent displays, an active semiconductor layer with ultrahigh mobility and high reliability at low deposition temperature is required. Therefore, we introduced high density plasma microwave-assisted (MWA) sputtering method as a promising deposition tool for the formation of high density and high-performance oxide semiconductor films. In this paper, we present the effect of the MWA sputtering method on the defects and fast charge trapping in In-Sn-Zn-O (ITZO) TFTs using various AC device characterization methodologies including fast I-V, pulsed I-V, transient current, low frequency noise, and discharge current analysis. Using these methods, we were able to analyze the charge trapping mechanism and intrinsic electrical characteristics, and extract the subgap density of the states of oxide TFTs quantitatively. In comparison to conventional sputtered ITZO, high density plasma MWA-sputtered ITZO exhibits outstanding electrical performance, negligible charge trapping characteristics and low subgap density of states. High-density plasma MWA sputtering method has high deposition rate even at low working pressure and control the ion bombardment energy, resulting in forming low defect generation in ITZO and presenting high performance ITZO TFT. We expect the proposed high density plasma sputtering method to be applicable to a wide range of oxide semiconductor device applications.

Dislocation density evolution in the process of high-temperature treatment and creep of EK-181 steel

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

Vershinina, Tatyana, E-mail: vershinina@bsu.edu.ru

2017-03-15

X-ray diffraction has been used to study the dislocation structure in ferrite-martensite high-chromium steel EK-181 in the states after heat treatment and high-temperature creep. The influence of heat treatment and stress on evolution of lath martensite structure was investigated by and electron back-scattered diffraction. The effect of nitrogen content on the total dislocation density, fraction of edge and screw dislocation segments are analyzed. - Highlights: •Fraction of edge dislocation in quenched state depends on nitrogen concentration. •Nitrogen affects the character of dislocation structure evolution during annealing. •Edge dislocations fraction influences on dislocation density after aging and creep.

High magnetic field studies of the charge density wave state of the quasi-two-dimensional conductor KMO 6O 17

NASA Astrophysics Data System (ADS)

Dumas, Jean; Guyot, Hervé; Balaska, Hafid; Marcus, Jacques; Vignolles, David; Sheikin, Ilya; Audouard, Alain; Brossard, Luc; Schlenker, Claire

2004-04-01

Magnetic torque and magnetoresistance measurements have been performed in high magnetic field on the quasi-two-dimensional charge density wave (CDW) oxide bronze KMo 6O 17 . Several anomalies have been found below 28 T either on the torque or on the magnetoresistance data. They can be attributed predominantly to orbital effects. Magnetoresistance data obtained up to 55 T show that a transition takes place above 30 T. This transition may be due to the Pauli coupling. The new field-induced density wave state exhibits Shubnikov-de Haas (SdH) oscillations.

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

PubMed

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

2017-07-01

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

High Energy Density All Solid State Asymmetric Pseudocapacitors Based on Free Standing Reduced Graphene Oxide-Co3O4 Composite Aerogel Electrodes.

PubMed

Ghosh, Debasis; Lim, Joonwon; Narayan, Rekha; Kim, Sang Ouk

2016-08-31

Modern flexible consumer electronics require efficient energy storage devices with flexible free-standing electrodes. We report a simple and cost-effective route to a graphene-based composite aerogel encapsulating metal oxide nanoparticles for high energy density, free-standing, binder-free flexible pseudocapacitive electrodes. Hydrothermally synthesized Co3O4 nanoparticles are successfully housed inside the microporous graphene aerogel network during the room temperature interfacial gelation at the Zn surface. The resultant three-dimensional (3D) rGO-Co3O4 composite aerogel shows mesoporous quasiparallel layer stack morphology with a high loading of Co3O4, which offers numerous channels for ion transport and a 3D interconnected network for high electrical conductivity. All solid state asymmetric pseudocapacitors employing the composite aerogel electrodes have demonstrated high areal energy density of 35.92 μWh/cm(2) and power density of 17.79 mW/cm(2) accompanied by excellent cycle life.

Electronic structure of LiCoO2 thin films: A combined photoemission spectroscopy and density functional theory study

NASA Astrophysics Data System (ADS)

Ensling, David; Thissen, Andreas; Laubach, Stefan; Schmidt, Peter C.; Jaegermann, Wolfram

2010-11-01

The electronic properties of LiCoO2 have been studied by theoretical band-structure calculations (using density functional theory) and experimental methods (photoemission). Synchrotron-induced photoelectron spectroscopy, resonant photoemission spectroscopy (ResPES), and soft x-ray absorption (XAS) have been applied to investigate the electronic structure of both occupied and unoccupied states. High-quality PES spectra were obtained from stoichiometric and highly crystalline LiCoO2 thin films deposited “in situ” by rf magnetron sputtering. An experimental approach of separating oxygen- and cobalt-derived (final) states by ResPES in the valence-band region is presented. The procedure takes advantage of an antiresonant behavior of cobalt-derived states at the 3p-3d excitation threshold. Information about the unoccupied density of states has been obtained by OK XAS. The structure of the CoL absorption edge is compared to semiempirical charge-transfer multiplet calculations. The experimental results are furthermore compared with band-structure calculations considering three different exchange potentials [generalized gradient approximation (GGA), using a nonlocal Hubbard U (GGA+U) and using a hybrid functional (Becke, three-parameter, Lee-Yang-Parr [B3LYP])]. For these different approaches total density of states and partial valence-band density of states have been investigated. The best qualitative agreement with experimental results has been obtained by using a GGA+U functional with U=2.9eV .

Pseudocapacitance of TiO2-x /CNT Anodes for High-Performance Quasi-Solid-State Li-Ion and Na-Ion Capacitors.

PubMed

Que, Lan-Fang; Yu, Fu-Da; Wang, Zhen-Bo; Gu, Da-Ming

2018-04-01

It is challenging for flexible solid-state hybrid capacitors to achieve high-energy-high-power densities in both Li-ion and Na-ion systems, and the kinetics discrepancy between the sluggish faradaic anode and the rapid capacitive cathode is the most critical issue needs to be addressed. To improve Li-ion/Na-ion diffusion kinetics, flexible oxygen-deficient TiO 2- x /CNT composite film with ultrafast electron/ion transport network is constructed as self-supported and light-weight anode for a quasi-solid-state hybrid capacitor. It is found that the designed porous yolk-shell structure endows large surface area and provides short diffusion length, the oxygen-deficient composite film can improve electrical conductivity, and enhance ion diffusion kinetic by introducing intercalation pseudocapacitance, therefore resulting in advance electrochemical properties. It exhibits high capacity, excellent rate performance, and long cycle life when utilized as self-supported anodes for Li-ion and Na-ion batteries. When assembled with activated carbon/carbon nanotube (AC/CNT) flexible cathode, using ion conducting gel polymer as the electrolyte, high energy densities of 104 and 109 Wh kg -1 are achieved at 250 W kg -1 in quasi-solid-state Li-ion and Na-ion capacitors (LICs and SICs), respectively. Still, energy densities of 32 and 36 Wh kg -1 can be maintained at high power densities of 5000 W kg -1 in LICs and SICs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectroscopy of metal "superatom" nanoclusters and high-Tc superconducting pairing

NASA Astrophysics Data System (ADS)

Halder, Avik; Kresin, Vitaly V.

2015-12-01

A unique property of metal nanoclusters is the "superatom" shell structure of their delocalized electrons. The electronic shell levels are highly degenerate and therefore represent sharp peaks in the density of states. This can enable exceptionally strong electron pairing in certain clusters composed of tens to hundreds of atoms. In a finite system, such as a free nanocluster or a nucleus, pairing is observed most clearly via its effect on the energy spectrum of the constituent fermions. Accordingly, we performed a photoionization spectroscopy study of size-resolved aluminum nanoclusters and observed a rapid rise in the near-threshold density of states of several clusters (A l37 ,44 ,66 ,68 ) with decreasing temperature. The characteristics of this behavior are consistent with compression of the density of states by a pairing transition into a high-temperature superconducting state with Tc≳100 K. This value exceeds that of bulk aluminum by two orders of magnitude. These results highlight the potential of novel pairing effects in size-quantized systems and the possibility to attain even higher critical temperatures by optimizing the particles' size and composition. As a new class of high-temperature superconductors, such metal nanocluster particles are promising building blocks for high-Tc materials, devices, and networks.

Wafer-scale, massively parallel carbon nanotube arrays for realizing field effect transistors with current density exceeding silicon and gallium arsenide

NASA Astrophysics Data System (ADS)

Arnold, Michael

Calculations have indicated that aligned arrays of semiconducting carbon nanotubes (CNTs) promise to outperform conventional semiconducting materials in short-channel, aggressively scaled field effect transistors (FETs) like those used in semiconductor logic and high frequency amplifier technologies. These calculations have been based on extrapolation of measurements of FETs based on one CNT, in which ballistic transport approaching the quantum conductance limit of 2Go = 4e2/h has been achieved. However, constraints in CNT sorting, processing, alignment, and contacts give rise to non-idealities when CNTs are implemented in densely-packed parallel arrays, which has resulted in a conductance per CNT far from 2Go. The consequence has been that it has been very difficult to create high performance CNT array FETs, and CNT array FETs have not outperformed but rather underperformed channel materials such as Si by 6 x or more. Here, we report nearly ballistic CNT array FETs at a density of 50 CNTs um-1, created via CNT sorting, wafer-scale alignment and assembly, and treatment. The on-state conductance in the arrays is as high as 0.46 Go per CNT, and the conductance of the arrays reaches 1.7 mS um-1, which is 7 x higher than previous state-of-the-art CNT array FETs made by other methods. The saturated on-state current density reaches 900 uA um-1 and is similar to or exceeds that of Si FETs when compared at equivalent gate oxide thickness, off-state current density, and channel length. The on-state current density exceeds that of GaAs FETs, as well. This leap in CNT FET array performance is a significant advance towards the exploitation of CNTs in high-performance semiconductor electronics technologies.

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

Wierer, Jonathan J.; Tsao, Jeffrey Y.; Sizov, Dmitry S.

Solid-state lighting (SSL) is now the most efficient source of high color quality white light ever created. Nevertheless, the blue InGaN light-emitting diodes (LEDs) that are the light engine of SSL still have significant performance limitations. Foremost among these is the decrease in efficiency at high input current densities widely known as “efficiency droop.” Efficiency droop limits input power densities, contrary to the desire to produce more photons per unit LED chip area and to make SSL more affordable. Pending a solution to efficiency droop, an alternative device could be a blue laser diode (LD). LDs, operated in stimulated emission,more » can have high efficiencies at much higher input power densities than LEDs can. In this article, LEDs and LDs for future SSL are explored by comparing: their current state-of-the-art input-power-density-dependent power-conversion efficiencies; potential improvements both in their peak power-conversion efficiencies and in the input power densities at which those efficiencies peak; and their economics for practical SSL.« less

Quasi-steady-state high confinement at high density by lower hybrid waves in the HT-6M tokamak

NASA Astrophysics Data System (ADS)

Li, Jiangang; Luo, Jiarong; Wan, Baonian; Wan, Yuanxi; Liu, Yuexiu; Yin, Finxian; Gong, Xianzu; Li, Duochuan; Liu, Shen; Jie, Yinxian; Gao, Xiang; Luo, Nancang; Jiang, Jiaguang; Han, Yuqing; Wu, Mingjun; Wang, Guangxin; Liang, Yunfeng; Yao, Ailing; Wu, Zhenwei; Zhang, Shouyin; Mao, Jiansan; Cui, Lingzhuo; Xu, Yuhong; Meng, Yuedong; Zhao, Junyu; Ding, Bolong; Li, Guiming; Xu, Xiangdong; Lin, Bili; Wei, Meishen; Yie, Weiwei

2000-03-01

The quasi-steady-state (tH > 10 τEoh) H mode with high plasma density (ELMy and ELM free) was routinely obtained by the injection of lower hybrid wave heating and lower hybrid current drive with a power threshold of 50 kW. The antenna spectrum was scanned over a wide range and τE was about 1.5-2.0 times that of the L mode scaling. The density increases by almost a factor of 3 during the H phase by gas puffing and the particle confinement time increases by more than this factor even with a line averaged density of 3 × 1013cm-3, which is about 60% of the Greenwald density limit. A hollow Te profile was achieved in the high density case. The experimental results reproducibly show a good agreement with the theoretical prediction for the LH off-axis power deposition profile. When a certain fraction of the plasma current is non-inductively sustained by the LH waves, a hollow current density profile is formed and the magnetic shear is reversed. This off-axis hollow profile and enhanced confinement improvement are attributed to a strong reduction of the electron thermal diffusivity in the reversed shear region.

High-Current-Density Vertical-Tunneling Transistors from Graphene/Highly Doped Silicon Heterostructures.

PubMed

Liu, Yuan; Sheng, Jiming; Wu, Hao; He, Qiyuan; Cheng, Hung-Chieh; Shakir, Muhammad Imran; Huang, Yu; Duan, Xiangfeng

2016-06-01

Scalable fabrication of vertical-tunneling transistors is presented based on heterostructures formed between graphene, highly doped silicon, and its native oxide. Benefiting from the large density of states of highly doped silicon, the tunneling transistors can deliver a current density over 20 A cm(-2) . This study demonstrates that the interfacial native oxide plays a crucial role in governing the carrier transport in graphene-silicon heterostructures. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interdimensional effects in systems with quasirelativistic fermions

NASA Astrophysics Data System (ADS)

Zulkoskey, A. C.; Dick, R.; Tanaka, K.

2017-07-01

We examine the Green function and the density of states for fermions moving in three-dimensional Dirac materials with interfaces which affect the propagation properties of particles. Motivation for our research comes from interest in materials that exhibit quasirelativistic dispersion relations. By modifying Dirac-type contributions to the Hamiltonian in an interface we are able to calculate the Green function and the density of states. The density of states inside the interface exhibits interpolating behavior between two and three dimensions, with two-dimensional behavior at high energies and three-dimensional behavior at low energies, provided that the shift in the mass parameter in the interface is small. We also discuss the impact of the interpolating density of states on optical absorption in Dirac materials with a two-dimensional substructure.

Polarization curve measurements combined with potential probe sensing for determining current density distribution in vanadium redox-flow batteries

NASA Astrophysics Data System (ADS)

Becker, Maik; Bredemeyer, Niels; Tenhumberg, Nils; Turek, Thomas

2016-03-01

Potential probes are applied to vanadium redox-flow batteries for determination of effective felt resistance and current density distribution. During the measurement of polarization curves in 100 cm2 cells with different carbon felt compression rates, alternating potential steps at cell voltages between 0.6 V and 2.0 V are applied. Polarization curves are recorded at different flow rates and states of charge of the battery. Increasing compression rates lead to lower effective felt resistances and a more uniform resistance distribution. Low flow rates at high or low state of charge result in non-linear current density distribution with high gradients, while high flow rates give rise to a nearly linear behavior.

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

NASA Technical Reports Server (NTRS)

Markov, Vladimir B.

2000-01-01

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

Low temperature mobility in hafnium-oxide gated germanium p-channel metal-oxide-semiconductor field-effect transistors

NASA Astrophysics Data System (ADS)

Beer, Chris; Whall, Terry; Parker, Evan; Leadley, David; De Jaeger, Brice; Nicholas, Gareth; Zimmerman, Paul; Meuris, Marc; Szostak, Slawomir; Gluszko, Grzegorz; Lukasiak, Lidia

2007-12-01

Effective mobility measurements have been made at 4.2K on high performance high-k gated germanium p-type metal-oxide-semiconductor field effect transistors with a range of Ge/gate dielectric interface state densities. The mobility is successfully modelled by assuming surface roughness and interface charge scattering at the SiO2 interlayer/Ge interface. The deduced interface charge density is approximately equal to the values obtained from the threshold voltage and subthreshold slope measurements on each device. A hydrogen anneal reduces both the interface state density and the surface root mean square roughness by 20%.

Probing defect states in polycrystalline GaN grown on Si(111) by sub-bandgap laser-excited scanning tunneling spectroscopy

NASA Astrophysics Data System (ADS)

Hsiao, F.-M.; Schnedler, M.; Portz, V.; Huang, Y.-C.; Huang, B.-C.; Shih, M.-C.; Chang, C.-W.; Tu, L.-W.; Eisele, H.; Dunin-Borkowski, R. E.; Ebert, Ph.; Chiu, Y.-P.

2017-01-01

We demonstrate the potential of sub-bandgap laser-excited cross-sectional scanning tunneling microscopy and spectroscopy to investigate the presence of defect states in semiconductors. The characterization method is illustrated on GaN layers grown on Si(111) substrates without intentional buffer layers. According to high-resolution transmission electron microscopy and cathodoluminescence spectroscopy, the GaN layers consist of nanoscale wurtzite and zincblende crystallites with varying crystal orientations and hence contain high defect state densities. In order to discriminate between band-to-band excitation and defect state excitations, we use sub-bandgap laser excitation. We probe a clear increase in the tunnel current at positive sample voltages during sub-bandgap laser illumination for the GaN layer with high defect density, but no effect is found for high quality GaN epitaxial layers. This demonstrates the excitation of free charge carriers at defect states. Thus, sub-bandgap laser-excited scanning tunneling spectroscopy is a powerful complimentary characterization tool for defect states.

High performance all-solid-state symmetric supercapacitor based on porous carbon made from a metal-organic framework compound

NASA Astrophysics Data System (ADS)

Yu, Feng; Wang, Teng; Wen, Zubiao; Wang, Hongxia

2017-10-01

In this work, we demonstrate the synthesis of porous carbon material with high specific surface area by using metal-organic framework (MOF) as precursor. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) have confirmed that the material was amorphous and consisted of nanoparticles (5-6 nm) and hierarchical distribution of pores. The characterization of the material by N2 adsorption/desorption isotherm measurement have shown that the material had a high specific surface area reaching to 2618.7 m2 g-1 and abundant porosity with pore size less than 10 nm. The investigation of the electrochemical properties of the material has shown the porous carbon electrode possessed excellent rate performance with high specific capacitances of 150.8 F g-1 at a current density of 5 A g-1, and 133.6 F g-1 at a current density of 50 A g-1, respectively. An all-solid-state symmetric supercapacitor assembled using the as-prepared porous carbon as electrodes and Na2SO4/PVA gel as an electrolyte delivered a high power density of 13 516.4 W kg-1 with an energy density of 8.26 Wh kg-1. A high energy density of 17.37 Wh kg-1 was obtained at discharge current density of 1 A g-1. In addition, the device exhibited superior cycling performance with 94.8% retention rate after 10 000 cycles at a current density of 10 A g-1.

Core-Shell Fe1- xS@Na2.9PS3.95Se0.05 Nanorods for Room Temperature All-Solid-State Sodium Batteries with High Energy Density.

PubMed

Wan, Hongli; Mwizerwa, Jean Pierre; Qi, Xingguo; Liu, Xin; Xu, Xiaoxiong; Li, Hong; Hu, Yong-Sheng; Yao, Xiayin

2018-03-27

High ionic conductivity electrolyte and intimate interfacial contact are crucial factors to realize high-performance all-solid-state sodium batteries. Na 2.9 PS 3.95 Se 0.05 electrolyte with reduced particle size of 500 nm is first synthesized by a simple liquid-phase method and exhibits a high ionic conductivity of 1.21 × 10 -4 S cm -1 , which is comparable with that synthesized with a solid-state reaction. Meanwhile, a general interfacial architecture, that is, Na 2.9 PS 3.95 Se 0.05 electrolyte uniformly anchored on Fe 1- x S nanorods, is designed and successfully prepared by an in situ liquid-phase coating approach, forming core-shell structured Fe 1- x S@Na 2.9 PS 3.95 Se 0.05 nanorods and thus realizing an intimate contact interface. The Fe 1- x S@Na 2.9 PS 3.95 Se 0.05 /Na 2.9 PS 3.95 Se 0.05 /Na all-solid-state sodium battery demonstrates high specific capacity and excellent rate capability at room temperature, showing reversible discharge capacities of 899.2, 795.5, 655.1, 437.9, and 300.4 mAh g -1 at current densities of 20, 50, 100, 150, and 200 mA g -1 , respectively. The obtained all-solid-state sodium batteries show very high energy and power densities up to 910.6 Wh kg -1 and 201.6 W kg -1 based on the mass of Fe 1- x S at current densities of 20 and 200 mA g -1 , respectively. Moreover, the reaction mechanism of Fe 1- x S is confirmed by means of ex situ X-ray diffraction techniques, showing that partially reversible reaction occurs in the Fe 1- x S electrode after the second cycle, which gives the obtained all-solid-state sodium battery an exceptional cycling stability, exhibiting a high capacity of 494.3 mAh g -1 after cycling at 100 mA g -1 for 100 cycles. This contribution provides a strategy for designing high-performance room temperature all-solid-state sodium battery.

Towards novel organic high-Tc superconductors: Data mining using density of states similarity search

NASA Astrophysics Data System (ADS)

Geilhufe, R. Matthias; Borysov, Stanislav S.; Kalpakchi, Dmytro; Balatsky, Alexander V.

2018-02-01

Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining techniques highly accelerated this process in different areas of research during the past years. The strength of a data-driven approach for materials prediction lies in narrowing down the search space of thousands of materials to a subset of prospective candidates. Recently, the open-access organic materials database OMDB was released providing electronic structure data for thousands of previously synthesized three-dimensional organic crystals. Based on the OMDB, we report about the implementation of a novel density of states similarity search tool which is capable of retrieving materials with similar density of states to a reference material. The tool is based on the approximate nearest neighbor algorithm as implemented in the ANNOY library and can be applied via the OMDB web interface. The approach presented here is wide ranging and can be applied to various problems where the density of states is responsible for certain key properties of a material. As the first application, we report about materials exhibiting electronic structure similarities to the aromatic hydrocarbon p-terphenyl which was recently discussed as a potential organic high-temperature superconductor exhibiting a transition temperature in the order of 120 K under strong potassium doping. Although the mechanism driving the remarkable transition temperature remains under debate, we argue that the density of states, reflecting the electronic structure of a material, might serve as a crucial ingredient for the observed high Tc. To provide candidates which might exhibit comparable properties, we present 15 purely organic materials with similar features to p-terphenyl within the electronic structure, which also tend to have structural similarities with p-terphenyl such as space group symmetries, chemical composition, and molecular structure. The experimental verification of these candidates might lead to a better understanding of the underlying mechanism in case similar superconducting properties are revealed.

Matter under extreme conditions experiments at the Linac Coherent Light Source

DOE PAGES

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

2015-12-10

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

Conservation hotspots for marine turtle nesting in the United States based on coastal development.

PubMed

Fuentes, Mariana M P B; Gredzens, Christian; Bateman, Brooke L; Boettcher, Ruth; Ceriani, Simona A; Godfrey, Matthew H; Helmers, David; Ingram, Dianne K; Kamrowski, Ruth L; Pate, Michelle; Pressey, Robert L; Radeloff, Volker C

2016-12-01

Coastal areas provide nesting habitat for marine turtles that is critical for the persistence of their populations. However, many coastal areas are highly affected by coastal development, which affects the reproductive success of marine turtles. Knowing the extent to which nesting areas are exposed to these threats is essential to guide management initiatives. This information is particularly important for coastal areas with both high nesting density and dense human development, a combination that is common in the United States. We assessed the extent to which nesting areas of the loggerhead (Caretta caretta), the green (Chelonia mydas), the Kemp's ridley (Lepidochelys kempii), and leatherback turtles (Dermochelys coriacea) in the continental United States are exposed to coastal development and identified conservation hotspots that currently have high reproductive importance and either face high exposure to coastal development (needing intervention), or have low exposure to coastal development, and are good candidates for continued and future protection. Night-time light, housing, and population density were used as proxies for coastal development and human disturbance. About 81.6% of nesting areas were exposed to housing and human population, and 97.8% were exposed to light pollution. Further, most (>65%) of the very high- and high-density nesting areas for each species/subpopulation, except for the Kemp's ridley, were exposed to coastal development. Forty-nine nesting sites were selected as conservation hotspots; of those high-density nesting sites, 49% were sites with no/low exposure to coastal development and the other 51% were exposed to high-density coastal development. Conservation strategies need to account for ~66.8% of all marine turtle nesting areas being on private land and for nesting sites being exposed to large numbers of seasonal residents. © 2016 by the Ecological Society of America.

Relations between sinkhole density and anthropogenic contaminants in selected carbonate aquifers in the eastern United States

USGS Publications Warehouse

Lindsey, Bruce D.; Katz, Brian G.; Berndt, Marian P.; Ardis, Ann F.; Skach, Kenneth A.

2009-01-01

The relation between sinkhole density and water quality was investigated in seven selected carbonate aquifers in the eastern United States. Sinkhole density for these aquifers was grouped into high (>25 sinkholes/100 km2), medium (1–25 sinkholes/100 km2), or low (2) categories using a geographical information system that included four independent databases covering parts of Alabama, Florida, Missouri, Pennsylvania, and Tennessee. Field measurements and concentrations of major ions, nitrate, and selected pesticides in samples from 451 wells and 70 springs were included in the water-quality database. Data were collected as a part of the US Geological Survey (USGS) National Water-Quality Assessment (NAWQA) Program. Areas with high and medium sinkhole density had the greatest well depths and depths to water, the lowest concentrations of total dissolved solids and bicarbonate, the highest concentrations of dissolved oxygen, and the lowest partial pressure of CO2 compared to areas with low sinkhole density. These chemical indicators are consistent conceptually with a conduit-flow-dominated system in areas with a high density of sinkholes and a diffuse-flow-dominated system in areas with a low density of sinkholes. Higher cave density and spring discharge in Pennsylvania also support the concept that the high sinkhole density areas are dominated by conduit-flow systems. Concentrations of nitrate-N were significantly higher (p < 0.05) in areas with high and medium sinkhole density than in low sinkhole-density areas; when accounting for the variations in land use near the sampling sites, the high sinkhole-density area still had higher concentrations of nitrate-N than the low sinkhole-density area. Detection frequencies of atrazine, simazine, metolachlor, prometon, and the atrazine degradate deethylatrazine indicated a pattern similar to nitrate; highest pesticide detections were associated with high sinkhole-density areas. These patterns generally persisted when analyzing the detection frequency by land-use groups, particularly for agricultural land-use areas where pesticide use would be expected to be higher and more uniform areally compared to urban and forested areas. Although areas with agricultural land use and a high sinkhole density were most vulnerable (median nitrate-N concentration was 3.7 mg/L, 11% of samples exceeded 10 mg/L, and had the highest frequencies of pesticide detection), areas with agricultural land use and low sinkhole density still were vulnerable to contamination (median nitrate-N concentration was 1.5 mg/L, 8% of samples exceeded 10 mg/L, and had some of the highest frequencies of detections of pesticides). This may be due in part to incomplete or missing data regarding karst features (such as buried sinkholes, low-permeability material in bottom of sinkholes) that do not show up at the scales used for regional mapping and to inconsistent methods among states in karst feature delineation.

Extremely large nonsaturating magnetoresistance and ultrahigh mobility due to topological surface states in the metallic Bi2Te3 topological insulator

NASA Astrophysics Data System (ADS)

Shrestha, K.; Chou, M.; Graf, D.; Yang, H. D.; Lorenz, B.; Chu, C. W.

2017-05-01

Weak antilocalization (WAL) effects in Bi2Te3 single crystals have been investigated at high and low bulk charge-carrier concentrations. At low charge-carrier density the WAL curves scale with the normal component of the magnetic field, demonstrating the dominance of topological surface states in magnetoconductivity. At high charge-carrier density the WAL curves scale with neither the applied field nor its normal component, implying a mixture of bulk and surface conduction. WAL due to topological surface states shows no dependence on the nature (electrons or holes) of the bulk charge carriers. The observations of an extremely large nonsaturating magnetoresistance and ultrahigh mobility in the samples with lower carrier density further support the presence of surface states. The physical parameters characterizing the WAL effects are calculated using the Hikami-Larkin-Nagaoka formula. At high charge-carrier concentrations, there is a greater number of conduction channels and a decrease in the phase coherence length compared to low charge-carrier concentrations. The extremely large magnetoresistance and high mobility of topological insulators have great technological value and can be exploited in magnetoelectric sensors and memory devices.

Quasiparticle trapping and the density of states in superconducting proximity structures

NASA Astrophysics Data System (ADS)

Warburton, P. A.; Blamire, M. G.

1994-08-01

An experimental study of quasiparticle trapping in epitaxial and polycrystalline Ta films on epitaxial Nb is presented using three-terminal double tunnel junction devices. It is shown that polycrystalline Ta is a more effective trap than epitaxial Ta. The experimentally measured tunneling density of states is used to calculate the inelastic quasiparticle scattering rates in the two types of Ta using the standard theory of Kaplan et a. (1976).The agreement of this calculation with the experimental results shows that the tunneling density of states may be used to determine scattering rates in proximitized superconducting films whose thickness is greater than the coherence length. This result is important since no existing theory satisfactorily describes the density of states in such proximity structures, which are currently being developed for use in high-resolution particle spectrometers.

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

PubMed

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

2014-02-01

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

Use of multiwavelength emission from hollow cathode lamp for measurement of state resolved atom density of metal vapor produced by electron beam evaporation

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

Majumder, A.; Dikshit, B.; Bhatia, M. S.

2008-09-15

State resolved atom population of metal vapor having low-lying metastable states departs from equilibrium value. It needs to be experimentally investigated. This paper reports the use of hollow cathode lamp based atomic absorption spectroscopy technique to measure online the state resolved atom density (ground and metastable) of metal vapor in an atomic beam produced by a high power electron gun. In particular, the advantage of availability of multiwavelength emission in hollow cathode lamp is used to determine the atom density in different states. Here, several transitions pertaining to a given state have also been invoked to obtain the mean valuemore » of atom density thereby providing an opportunity for in situ averaging. It is observed that at higher source temperatures the atoms from metastable state relax to the ground state. This is ascribed to competing processes of atom-atom and electron-atom collisions. The formation of collision induced virtual source is inferred from measurement of atom density distribution profile along the width of the atomic beam. The total line-of-sight average atom density measured by absorption technique using hollow cathode lamp is compared to that measured by atomic vapor deposition method. The presence of collisions is further supported by determination of beaming exponent by numerically fitting the data.« less

Dependence of Mobility on Density of Gap States in Organics by GAMEaS - Gate Modulated Activation Energy Spectroscopy

NASA Astrophysics Data System (ADS)

So, Woo-Young; Lang, David; Ramirez, Arthur

2008-03-01

We develop a spectroscopic method for determining the density of states (DOS) in the energy gap - GAte Modulated activation Energy Spectroscopy (GAMEaS), We also report the relationship of these gap states to the mobility of organic field-effect-transistors (FETs). We find that the field-effect mobility is parameterized by two factors: (1) the free-carrier mobility and (2) the ratio of the free carrier density to the total carrier density induced by the gate bias. We show that the highest mobility FETs have shallow exponential band tails of localized states with characteristic slope of 1/kT at 300K. Most remarkably, state-of-the-art crystalline FETs fabricated from rubrene, pentacene, and tetracene all have a very high free-carrier mobility, up to 200cm2/Vsec at 300K, with the somewhat lower effective mobilities dominated by localized gap states. This strongly suggests that further improvements in device performance could be possible with enhanced material quality.

High magnetic field magnetoresistance anomalies in the charge density wave state of the quasi-two dimensional bronze KMo6O{17}

NASA Astrophysics Data System (ADS)

Guyot, H.; Dumas, J.; Marcus, J.; Schlenker, C.; Vignolles, D.

2005-12-01

We report high magnetic field magnetoresistance measurements performed in pulsed fields up to 55 T on the quasi-two dimensional charge density wave conductor KMo{6}O{17}. Magnetoresistance curves show several anomalies below 28 T. First order transitions to smaller gap states take place at low temperature above 30 T. A phase diagram T(B) has been obtained. The angular dependence of the anomalies is reported.

Electron correlation in Hooke's law atom in the high-density limit.

PubMed

Gill, P M W; O'Neill, D P

2005-03-01

Closed-form expressions for the first three terms in the perturbation expansion of the exact energy and Hartree-Fock energy of the lowest singlet and triplet states of the Hooke's law atom are found. These yield elementary formulas for the exact correlation energies (-49.7028 and -5.807 65 mE(h)) of the two states in the high-density limit and lead to a pair of necessary conditions on the exact correlation kernel G(w) in Hartree-Fock-Wigner theory.

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

PubMed

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

2013-07-01

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

Density of photonic states in cholesteric liquid crystals

NASA Astrophysics Data System (ADS)

Dolganov, P. V.

2015-04-01

Density of photonic states ρ (ω ) , group vg, and phase vph velocity of light, and the dispersion relation between wave vector k , and frequency ω (k ) were determined in a cholesteric photonic crystal. A highly sensitive method (measurement of rotation of the plane of polarization of light) was used to determine ρ (ω ) in samples of different quality. In high-quality samples a drastic increase in ρ (ω ) near the boundaries of the stop band and oscillations related to Pendellösung beatings are observed. In low-quality samples photonic properties are strongly modified. The maximal value of ρ (ω ) is substantially smaller, and density of photonic states increases near the selective reflection band without oscillations in ρ (ω ) . Peculiarities of ρ (ω ) , vg, and ω (k ) are discussed. Comparison of the experimental results with theory was performed.

Soft x-ray emission of galliumlike rare-earth atoms produced by high-temperature low-density tokamak and high-density laser plasmas

NASA Astrophysics Data System (ADS)

Fournier, K. B.; Goldstein, W. H.; Osterheld, A.; Finkenthal, M.; Lippmann, S.; Huang, L. K.; Moos, H. W.; Spector, N.

1994-09-01

Spectra of rare-earth atoms praseodymium, Z=59, to ytterbium, Z=70, emitted from the high-temperature (1 keV) low-density (1013 cm-3) TEXT tokamak (at the Fusion Research Center, University of Texas, Austin) and high-density (1020 cm-3) laser plasmas have been recorded in the soft-x-ray range of 50-200 Å with an image intensifier detector and on photographic plates. The brightest n=4 to n=4 transitions of galliumlike ions have been identified and their emission patterns have been studied by comparison with ab initio atomic structure calculations and collisional radiative models under the respective plasma conditions. We have investigated the use of the ratios of the intensities of 4-4 transitions as indicators of plasma densities. This is possible owing to the doublet structure of the galliumlike ground state, which leads to a strong density dependence for ratios of transitions between low-lying levels. We have also used semiempirical ionization balance calculations to characterize the charge state distribution of the tokamak plasmas, in preparation for an investigation of the use of ratios of galliumlike to zinclike and copperlike emission features as indicators of whether the impurities are in coronal equilibrium or undergoing ionization.

Nanoclusters as a new family of high temperature superconductors (Conference Presentation)

NASA Astrophysics Data System (ADS)

Halder, Avik; Kresin, Vitaly V.

2017-03-01

Electrons in metal clusters organize into quantum shells, akin to atomic shells in the periodic table. Such nanoparticles are referred to as "superatoms". The electronic shell levels are highly degenerate giving rise to sharp peaks in the density of states, which can enable exceptionally strong electron pairing in certain clusters containing tens to hundreds of atoms. A spectroscopic investigation of size - resolved aluminum nanoclusters has revealed a sharp rise in the density of states near the Fermi level as the temperature decreases towards 100 K. The effect is especially prominent in the closed-shell "magic" cluster Al66 [1, 2]. The characteristics of this behavior are fully consistent with a pairing transition, implying a high temperature superconducting state with Tc < 100K. This value exceeds that of bulk aluminum by two orders of magnitude. As a new class of high-temperature superconductors, such metal nanocluster particles are promising building blocks for high-Tc materials, devices, and networks. ---------- 1. Halder, A., Liang, A., Kresin, V. V. A novel feature in aluminum cluster photoionization spectra and possibility of electron pairing at T 100K. Nano Lett 15, 1410 - 1413 (2015) 2. Halder, A., Kresin, V. V. A transition in the density of states of metal "superatom" nanoclusters and evidence for superconducting pairing at T 100K. Phys. Rev. B 92, 214506 (2015).

Normal and abnormal evolution of argon metastable density in high-density plasmas

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

Seo, B. H.; Kim, J. H., E-mail: jhkim86@kriss.re.kr; You, S. J., E-mail: sjyou@cnu.ac.kr

2015-05-15

A controversial problem on the evolution of Ar metastable density as a function of electron density (increasing trend versus decreasing trend) was resolved by discovering the anomalous evolution of the argon metastable density with increasing electron density (discharge power), including both trends of the metastable density [Daltrini et al., Appl. Phys. Lett. 92, 061504 (2008)]. Later, by virtue of an adequate physical explanation based on a simple global model, both evolutions of the metastable density were comprehensively understood as part of the abnormal evolution occurring at low- and high-density regimes, respectively, and thus the physics behind the metastable evolution hasmore » seemed to be clearly disclosed. In this study, however, a remarkable result for the metastable density behavior with increasing electron density was observed: even in the same electron density regime, there are both normal and abnormal evolutions of metastable-state density with electron density depending on the measurement position: The metastable density increases with increasing electron density at a position far from the inductively coupled plasma antenna but decreases at a position close to the antenna. The effect of electron temperature, which is spatially nonuniform in the plasma, on the electron population and depopulation processes of Argon metastable atoms with increasing electron density is a clue to understanding the results. The calculated results of the global model, including multistep ionization for the argon metastable state and measured electron temperature, are in a good agreement with the experimental results.« less

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

PubMed

Morishita, Tetsuya

2009-05-21

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

Calculation of the spin-polarized electronic structure of an interstitial iron impurity in silicon

NASA Astrophysics Data System (ADS)

Katayama-Yoshida, H.; Zunger, Alex

1985-06-01

We apply our self-consistent, all-electron, spin-polarized Green's-function method within an impurity-centered, dynamic basis set to study the interstitial iron impurity in silicon. We use two different formulations of the interelectron interactions: the local-spin-density (LSD) formalism and the self-interaction-corrected (SIC) local-spin-density (SIC-LSD) formalism. We find that the SIC-LSD approach is needed to obtain the correct high-spin ground state of Si:Fe+. We propose a quantitative explanation to the observed donor ionization energy and the high-spin ground states for Si:Fe+ within the SIC-LSD approach. For both Si:Fe0 and Si:Fe+, this approach leads to a hyperfine field, contact spin density, and ionization energy in better agreement with experiments than the simple LSD approach. The apparent dichotomy between the covalently delocalized nature of Si:Fe as suggested on the one hand by its reduced hyperfine field (relative to the free atom) and extended spin density and by the occurrence of two closely spaced, stable charge states (within 0.4 eV) and on the other hand by the atomically localized picture (suggested, for example, by the stability of a high-spin, ground-state configuration) is resolved. We find a large reduction in the hyperfine field and contact spin density due to the covalent hybridization between the impurity 3d orbitals and the tails of the delocalized sp3 hybrid orbitals of the surrounding silicon atoms. Using the calculated results, we discuss (i) the underlying mechanism for the stability and plurality of charged states, (ii) the covalent reduction in the hyperfine field, (iii) the remarkable constancy of the impurity Mössbauer isomer shift for different charged states, (iv) comparison with the multiple charged states in ionic crystals, and (v) some related speculation about the mechanism of (Fe2+/Fe3+) oxidation-reduction ionizations in heme proteins and electron-transporting biological systems.

High thermal stability of abrupt SiO2/GaN interface with low interface state density

NASA Astrophysics Data System (ADS)

Truyen, Nguyen Xuan; Taoka, Noriyuki; Ohta, Akio; Makihara, Katsunori; Yamada, Hisashi; Takahashi, Tokio; Ikeda, Mitsuhisa; Shimizu, Mitsuaki; Miyazaki, Seiichi

2018-04-01

The effects of postdeposition annealing (PDA) on the interface properties of a SiO2/GaN structure formed by remote oxygen plasma-enhanced chemical vapor deposition (RP-CVD) were systematically investigated. X-ray photoelectron spectroscopy clarified that PDA in the temperature range from 600 to 800 °C has almost no effects on the chemical bonding features at the SiO2/GaN interface, and that positive charges exist at the interface, the density of which can be reduced by PDA at 800 °C. The capacitance-voltage (C-V) and current density-SiO2 electric field characteristics of the GaN MOS capacitors also confirmed the reduction in interface state density (D it) and the improvement in the breakdown property of the SiO2 film after PDA at 800 °C. Consequently, a high thermal stability of the SiO2/GaN structure with a low fixed charge density and a low D it formed by RP-CVD was demonstrated. This is quite informative for realizing highly robust GaN power devices.

Electronic Rearrangement in Molecular Plasmons: An Electron Density and Electrostatic Potential-Based Study.

PubMed

Paul, Mishu; Balanarayan, P

2018-06-05

Plasmonic modes in single-molecule systems have been previously identified by scaling two-electron interactions in calculating excitation energies. Analysis of transition dipole moments for states of polyacenes based on configuration interaction is another method for characterising molecular plasmons. The principal features in the electronic absorption spectra of polyacenes are a low-intensity, lower-in-energy peak and a high-intensity, higher-in-energy peak. From calculations using time-dependent density functional theory with the B3LYP/cc-pVTZ basis set, both these peaks are found to result from the same set of electronic transitions, that is, HOMO-n to LUMO and HOMO to LUMO+n, where n varies as the number of fused rings increases. In this work, the excited states of polyacenes, naphthalene through pentacene, are analysed using electron densities and molecular electrostatic potential (MESP) topography. Compared to other excited states the bright and dark plasmonic states involve the least electron rearrangement. Quantitatively, the MESP topography indicates that the variance in MESP values and the displacement in MESP minima positions, calculated with respect to the ground state, are lowest for plasmonic states. The excited-state electronic density profiles and electrostatic potential topographies suggest the least electron rearrangement for the plasmonic states. Conversely, high electron rearrangement characterises a single-particle excitation. The molecular plasmon can be called an excited state most similar to the ground state in terms of one-electron properties. This is found to be true for silver (Ag 6 ) and sodium (Na 8 ) linear chains as well. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Progress and prospect on failure mechanisms of solid-state lithium batteries

NASA Astrophysics Data System (ADS)

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

2018-07-01

By replacing traditional liquid organic electrolyte with solid-state electrolyte, the solid-state lithium batteries powerfully come back to the energy storage field due to their eminent safety and energy density. In recent years, a variety of solid-state lithium batteries based on excellent solid-state electrolytes are developed. However, the performance degradation of solid-state lithium batteries during cycling and storing is still a serious challenge for practical application. Therefore, this review summarizes the research progress of solid-state lithium batteries from the perspectives of failure phenomena and failure mechanisms. Additionally, the development of methodologies on studying the failure mechanisms of solid-state lithium batteries is also reviewed. Moreover, some perspectives on the remaining questions for understanding the failure behaviors and achieving long cycle life, high safety and high energy density solid-state lithium batteries are presented. This review will help researchers to recognize the status of solid-state lithium batteries objectively and attract much more research interest in conquering the failure issues of solid-state lithium batteries.

Interface state density distribution in Au/n-ZnO nanorods Schottky diodes

NASA Astrophysics Data System (ADS)

Faraz, S. M.; Willander, M.; Wahab, Q.

2012-04-01

Interface states density (NSS) distribution is extracted in Au/ ZnO Schottky diodes. Nanorods of ZnO are grown on silver (Ag) using aqueous chemical growth (ACG) technique. Well aligned hexagonal-shaped vertical nanorods of a mean diameter of 300 - 450 nm and 1.3 -1.9 μm high are revealed in SEM. Gold (Au) Schottky contacts of thickness 60 nm and 1.5mm diameter were evaporated. For electrical characterization of Schottky diodes current-voltage (I-V) and capacitance-Voltage (C-V) measurements are performed. The diodes exhibited a typical non-linear rectifying behavior with a barrier height of 0.62eV and ideality factor of 4.3. Possible reasons for low barrier height and high ideality factor have been addressed. Series resistance (RS) has been calculated from forward I-V characteristics using Chueng's function. The density of interfacial states (NSS) below the conduction band (EC-ESS) is extracted using I-V and C-V measured values. A decrease in interface states density (NSS) is observed from 3.74 × 1011 - 7.98 × 1010 eV-1 cm-2 from 0.30eV - 0.61eV below the conduction band edge.

Observations of Intrinsic Rotation Reversal Hysteresis in Alcator C-Mod Plasmas

NASA Astrophysics Data System (ADS)

Cao, Norman; Rice, John; White, Anne; Baek, Seung; Chilenski, Mark; Creely, Alexander; Ennever, Paul; Hubbard, Amanda; Hughes, Jerry; Irby, Jim; Rodriguez-Fernandez, Pablo; Reinke, Matthew; Diamond, Patrick; Alcator C-Mod Team

2016-10-01

Intrinsic core toroidal rotation in Alcator C-Mod L-mode plasmas has been observed to spontaneously reverse direction when the normalized collisionality ν*, evaluated at the profile minimum, passes through a critical value around 0.4. In Ohmic plasmas, the low density linear Ohmic confinement regime exhibits co-current toroidal rotation, and the higher density saturated Ohmic confinement regime exhibits counter-current rotation. The reversal manifests a hysteresis loop in ν*, where the critical collisionalities for the forward and reverse transitions differ by 10-15%. There appears to be memory associated with the rotation state, since reversals which do not begin from fully saturated rotation states do not manifest this hysteresis. In addition, high-k PCI fluctuation ``wings'' (kθρs up to 1) at low density and high current appear only in the co-current rotation state, while density peaking and ``non-local'' heat transport behavior do not appear to change significantly with the rotation state. Results from fluctuation measurements and preliminary transport and stability analyses will also be presented. This work is supported by the US DOE under Grant DE-FC02-99ER54512 (C-Mod).

Optoelectronically probing the density of nanowire surface trap states to the single state limit

NASA Astrophysics Data System (ADS)

Dan, Yaping

2015-02-01

Surface trap states play a dominant role in the optoelectronic properties of nanoscale devices. Understanding the surface trap states allows us to properly engineer the device surfaces for better performance. But characterization of surface trap states at nanoscale has been a formidable challenge using the traditional capacitive techniques. Here, we demonstrate a simple but powerful optoelectronic method to probe the density of nanowire surface trap states to the single state limit. In this method, we choose to tune the quasi-Fermi level across the bandgap of a silicon nanowire photoconductor, allowing for capture and emission of photogenerated charge carriers by surface trap states. The experimental data show that the energy density of nanowire surface trap states is in a range from 109 cm-2/eV at deep levels to 1012 cm-2/eV near the conduction band edge. This optoelectronic method allows us to conveniently probe trap states of ultra-scaled nano/quantum devices at extremely high precision.

Simultaneous estimation of plasma parameters from spectroscopic data of neutral helium using least square fitting of CR-model

NASA Astrophysics Data System (ADS)

Jain, Jalaj; Prakash, Ram; Vyas, Gheesa Lal; Pal, Udit Narayan; Chowdhuri, Malay Bikas; Manchanda, Ranjana; Halder, Nilanjan; Choyal, Yaduvendra

2015-12-01

In the present work an effort has been made to estimate the plasma parameters simultaneously like—electron density, electron temperature, ground state atom density, ground state ion density and metastable state density from the observed visible spectra of penning plasma discharge (PPD) source using least square fitting. The analysis is performed for the prominently observed neutral helium lines. The atomic data and analysis structure (ADAS) database is used to provide the required collisional-radiative (CR) photon emissivity coefficients (PECs) values under the optical thin plasma condition in the analysis. With this condition the estimated plasma temperature from the PPD is found rather high. It is seen that the inclusion of opacity in the observed spectral lines through PECs and addition of diffusion of neutrals and metastable state species in the CR-model code analysis improves the electron temperature estimation in the simultaneous measurement.

Head-on collision of multistate ultralight BEC dark matter configurations

NASA Astrophysics Data System (ADS)

Guzmán, F. S.; Avilez, Ana A.

2018-06-01

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

Experimental study on magnetically insulated transmission line electrode surface evolution process under MA/cm current density

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

Zhang, PengFei; Qiu, Aici; State Key Laboratory of Intense Pulse Radiation of Simulation and Effect, Northwest Institute of Nuclear Technology, Xi'an 710024

The design of high-current density magnetically insulated transmission line (MITL) is a difficult problem of current large-scale Z-pinch device. In particular, a thorough understanding of the MITL electrode surface evolution process under high current density is lacking. On the “QiangGuang-I” accelerator, the load area possesses a low inductance short-circuit structure with a diameter of 2.85 mm at the cathode, and three reflux columns with a diameter of 3 mm and uniformly distributed circumference at the anode. The length of the high density MITL area is 20 mm. A laser interferometer is used to assess and analyze the state of the MITL cathode andmore » anode gap, and their evolution process under high current density. Experimental results indicate that evident current loss is not observed in the current density area at pulse leading edge, and peak when the surface current density reaches MA/cm. Analysis on electrode surface working conditions indicates that when the current leading edge is at 71.5% of the peak, the total evaporation of MITL cathode structure can be realized by energy deposition caused by ohmic heating. The electrode state changes, and diffusion conditions are reflected in the laser interferometer image. The MITL cathode area mainly exists in metal vapor form. The metal vapor density in the cathode central region is higher than the upper limit of laser penetration density (∼4 × 10{sup 21}/cm{sup 3}), with an expansion velocity of ∼0.96 km/s. The metal vapor density in the electrode outer area may lead to evident distortion of fringes, and its expansion velocity is faster than that in the center area (1.53 km/s).« less

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

PubMed

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

2016-03-02

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

Growth and characterization of high current density, high-speed InAs/AlSb resonant tunneling diodes

NASA Technical Reports Server (NTRS)

Soderstrom, J. R.; Brown, E. R.; Parker, C. D.; Mahoney, L. J.; Yao, J. Y.

1991-01-01

InAs/AlSb double-barrier resonant tunneling diodes with peak current densities up to 370,000 A/sq cm and high peak-to-valley current ratios of 3.2 at room temperature have been fabricated. The peak current density is well-explained by a stationary-state transport model with the two-band envelope function approximation. The valley current density predicted by this model is less than the experimental value by a factor that is typical of the discrepancy found in other double-barrier structures. It is concluded that threading dislocations are largely inactive in the resonant tunneling process.

Protein aggregation under high concentration/density state during chromatographic and ultrafiltration processes.

PubMed

Arakawa, Tsutomu; Ejima, Daisuke; Akuta, Teruo

2017-02-01

Local transient high protein concentration or high density condition can occur during processing of protein solutions. Typical examples are saturated binding of proteins during column chromatography and high protein concentration on the semi-permeable membrane during ultrafiltration. Both column chromatography and ultrafiltration are fundamental technologies, specially for production of pharmaceutical proteins. We summarize here our experiences related to such high concentration conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

Interface investigation of solution processed high- κ ZrO2/Si MOS structure by DLTS

NASA Astrophysics Data System (ADS)

Kumar, Arvind; Mondal, Sandip; Rao, Ksr Koteswara

The interfacial region is dominating due to the continuous downscaling and integration of high- k oxides in CMOS applications. The accurate characterization of high- k oxides/semiconductor interface has the significant importance towards its usage in memory and thin film devices. The interface traps at the high - k /semiconductor interface can be quantified by deep level transient spectroscopy (DLTS) with better accuracy in contrast to capacitance-voltage (CV) and conductance technique. We report the fabrication of high- k ZrO2 films on p-Si substrate by a simple and inexpensive sol-gel spin-coating technique. Further, the ZrO2/Si interface is characterized through DLTS. The flat-band voltage (VFB) and the density of slow interface states (oxide trapped charges) extracted from CV characteristics are 0.37 V and 2x10- 11 C/cm2, respectively. The activation energy, interface state density and capture cross-section quantified by DLTS are EV + 0.42 eV, 3.4x1011 eV- 1 cm- 2 and 5.8x10- 18 cm2, respectively. The high quality ZrO2 films own high dielectric constant 15 with low leakage current density might be an appropriate insulating layer in future electronic application. The low value of interface state density and capture cross-section are the indication of high quality interface and the defect present at the interface may not affect the device performance to a great extent. The DLTS study provides a broad understanding about the traps present at the interface of spin-coated ZrO2/Si.

Neutral-depletion-induced axially asymmetric density in a helicon source and imparted thrust

NASA Astrophysics Data System (ADS)

Takahashi, Kazunori; Takao, Yoshinori; Ando, Akira

2016-02-01

The high plasma density downstream of the source is observed to be sustained only for a few hundreds of microsecond at the initial phase of the discharge, when pulsing the radiofrequency power of a helicon plasma thruster. Measured relative density of argon neutrals inside the source implies that the neutrals are significantly depleted there. A position giving a maximum plasma density temporally moves to the upstream side of the source due to the neutral depletion and then the exhausted plasma density significantly decreases. The direct thrust measurement demonstrates that the higher thrust-to-power ratio is obtained by using only the initial phase of the high density plasma, compared with the steady-state operation.

Equation of state of silicate liquids

NASA Astrophysics Data System (ADS)

Jing, Zhicheng

Equation of state of silicate liquids is crucial to our understanding of melting processes such as the generation and differentiation of silicate melts in Earth and hence to explore the geophysical and geochemical consequences of melting. A comparison of compressional properties reveals fundamental differences in compressional mechanisms between silicate liquids and solids. Due to a liquid's ability to change structures, the compression of liquids is largely controlled by the entropic contribution to the free energy in addition to the internal energy contribution that is available to solids. In order to account for the entropic contribution, a new equation of state of silicate liquids is proposed based on the theory of hard-sphere mixtures. The equation of state is calibrated for SiO2-Al 2O3-FeO-MgO-CaO liquids and other systems. The new equation of state provides a unified explanation for the experimental observations on compressional properties of liquids including the bulk moduli of silicate liquids as well as the pressure dependence of Gruneisen parameter. The effect of chemical composition on melt density can be studied by the equation of state. Results show that FeO and H2O are the most important components in melts that control the melt density at high pressure due to their very different mean atomic masses from other melt components. Adding SiO2 can make a melt more compressible at high pressure due to its continuous change of coordination from 4-fold to 6-fold. The effect of 1-120 on melt density is further investigated by high-pressure experiments at the conditions of 9 to 15 GPa (corresponding to the depths of 300-500 km in the Earth) and 1900 °C to 2200 °C. The density of three dry melts and four hydrous melts with 2-7 wt% H2O was determined. Density data are analyzed by both the Birch-Mumaghan equation of state and the hard sphere equation of state. The partial molar volume of H2O is determined to be 8.8 cm3/mol at 14 GPa and 2173 K. The hypothesis that silicate melts can be gravitationally stable atop the 410 km discontinuity is tested. Results show that the conditions for density crossovers between melts and the upper mantle materials at the bottom of the upper mantle are marginally satisfied.

Determination of the density of surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure

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

Gulyamov, G., E-mail: Gulyamov1949@rambler.ru; Sharibaev, N. U.

2011-02-15

The temporal dependence of thermal generation of electrons from occupied surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure is studied. It is established that, at low temperatures, the derivative of the probability of depopulation of occupied surface states with respect to energy is represented by the Dirac {delta} function. It is shown that the density of states of a finite number of discrete energy levels under high-temperature measurements manifests itself as a continuous spectrum, whereas this spectrum appears discrete at low temperatures. A method for processing the continuous spectrum of the density of surface states is suggested thatmore » method makes it possible to determine the discrete energy spectrum. The obtained results may be conducive to an increase in resolution of the method of non-stationary spectroscopy of surface states.« less

Effect of culture density on biomass production and light utilization efficiency of Synechocystis sp. PCC 6803.

PubMed

Straka, Levi; Rittmann, Bruce E

2018-02-01

The viability of large-scale microalgae cultivation depends on providing optimal growth conditions, for which a key operational parameter is culture density. Using Synechocystis sp. PCC 6803, we conducted a series of fixed-density, steady-state experiments and one batch-growth experiment to investigate the role of culture density on biomass production and light utilization efficiency. In all cases, the fixed-density, steady-state experiments and batch-growth experiment showed good agreement. The highest biomass production rates (260 mg L -1  d -1 ) and efficiency for converting light energy to biomass (0.80 μg (μmol photons) -1 ) occurred together at a culture density near 760 mg L -1 , which approximately corresponded to the lowest culture density where almost all incident light was absorbed. The ratio of OD 680 /OD 735 increased with culture density up to the point of maximum productivity, where it plateaued (at a value of 2.4) for higher culture densities. This change in OD 680 /OD 735 indicates a photoacclimation effect that depended on culture density. Very high culture densities led to a sharp decline in efficiency of biomass production per photons absorbed, likely due to a combination of increased decay relative to growth, metabolic changes due to cell-cell interactions, and photodamage due to mixing between regions with high light intensity and zero light intensity. © 2017 Wiley Periodicals, Inc.

All-solid-state flexible supercapacitors based on highly dispersed polypyrrole nanowire and reduced graphene oxide composites.

PubMed

Yu, Chenfei; Ma, Peipei; Zhou, Xi; Wang, Anqi; Qian, Tao; Wu, Shishan; Chen, Qiang

2014-10-22

Highly dispersed polypyrrole nanowires are decorated on reduced graphene oxide sheets using a facile in situ synthesis route. The prepared composites exhibit high dispersibility, large effective surface area, and high electric conductivity. All-solid-state flexible supercapacitors are assembled based on the prepared composites, which show excellent electrochemical performances with a specific capacitance of 434.7 F g(-1) at a current density of 1 A g(-1). The as-fabricated supercapacitor also exhibits excellent cycling stability (88.1% capacitance retention after 5000 cycles) and exceptional mechanical flexibility. In addition, outstanding power and energy densities were obtained, demonstrating the significant potential of prepared material for flexible and portable energy storage devices.

Flexible Supercapacitors Based on Polyaniline Arrays Coated Graphene Aerogel Electrodes

NASA Astrophysics Data System (ADS)

Yang, Yu; Xi, Yunlong; Li, Junzhi; Wei, Guodong; Klyui, N. I.; Han, Wei

2017-06-01

Flexible supercapacitors(SCs) made by reduced graphene oxide (rGO)-based aerogel usually suffer from the low energy density, short cycle life and bad flexibility. In this study, a new, synthetic strategy was developed for enhancing the electrochemical performances of rGO aerogel-based supercapacitor via electrodeposition polyaniline arrays on the prepared ultralight rGO aerogel. The novel hybrid composites with coated polyaniline (PANI) arrays growing on the rGO surface can take full advantage of the rich open-pore and excellent conductivity of the crosslinking framework structure of 3D rGO aerogel and high capacitance contribution from the PANI. The obtained hybrid composites exhibit excellent electrochemical performance with a specific capacitance of 432 F g-1 at the current density of 1 A g-1, robust cycling stability to maintain 85% after 10,000 charge/discharge cycles and high energy density of 25 W h kg-1. Furthermore, the flexible all-solid-state supercapacitor have superior flexibility and outstanding stability under different bending states from the straight state to the 90° status. The high-performance flexible all-solid-state SCs together with the lighting tests demonstrate it possible for applications in portable electronics.

Flexible Supercapacitors Based on Polyaniline Arrays Coated Graphene Aerogel Electrodes.

PubMed

Yang, Yu; Xi, Yunlong; Li, Junzhi; Wei, Guodong; Klyui, N I; Han, Wei

2017-12-01

Flexible supercapacitors(SCs) made by reduced graphene oxide (rGO)-based aerogel usually suffer from the low energy density, short cycle life and bad flexibility. In this study, a new, synthetic strategy was developed for enhancing the electrochemical performances of rGO aerogel-based supercapacitor via electrodeposition polyaniline arrays on the prepared ultralight rGO aerogel. The novel hybrid composites with coated polyaniline (PANI) arrays growing on the rGO surface can take full advantage of the rich open-pore and excellent conductivity of the crosslinking framework structure of 3D rGO aerogel and high capacitance contribution from the PANI. The obtained hybrid composites exhibit excellent electrochemical performance with a specific capacitance of 432 F g -1 at the current density of 1 A g -1 , robust cycling stability to maintain 85% after 10,000 charge/discharge cycles and high energy density of 25 W h kg -1 . Furthermore, the flexible all-solid-state supercapacitor have superior flexibility and outstanding stability under different bending states from the straight state to the 90° status. The high-performance flexible all-solid-state SCs together with the lighting tests demonstrate it possible for applications in portable electronics.

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

NASA Technical Reports Server (NTRS)

Lawson, John W.; Bauschlicher, Charles W.; Daw, Murray

2011-01-01

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Alternative stable states and alternative endstates of community assembly through intra- and interspecific positive and negative interactions.

PubMed

Gerla, Daan J; Mooij, Wolf M

2014-09-01

Positive and negative interactions within and between species may occur simultaneously, with the net effect depending on population densities. For instance, at low densities plants may ameliorate stress, while competition for resources dominates at higher densities. Here, we propose a simple two-species model in which con- and heterospecifics have a positive effect on per capita growth rate at low densities, while negative interactions dominate at high densities. The model thus includes both Allee effects (intraspecific positive effects) and mutualism (interspecific positive effects), as well as intra- and interspecific competition. Using graphical methods we derive conditions for alternative stable states and species coexistence. We show that mutual non-invasibility (i.e. the inability of each species to invade a population of the other) is more likely when species have a strong positive effect on the own species or a strong negative effect on the other species. Mutual non-invasibility implies alternative stable states, however, there may also be alternative stable states at which species coexist. In the case of species symmetry (i.e. when species are indistinguishable), such alternative coexistence states require that if the positive effect exerted at low densities at the own species is stronger than on the other species, the negative effect at higher densities is also stronger on the own species than on the other species, or, vice versa, if the interspecific positive effects at low densities are stronger than the intraspecific effects, the negative effects at higher densities are also stronger between species than within species. However, the reachability of alternative stable states is restricted by the frequency and density at which species are introduced during community assembly, so that alternative stable states do not always represent alternative endstates of community assembly. Copyright © 2014 Elsevier Inc. All rights reserved.

Free-Standing Conducting Polymer Films for High-Performance Energy Devices.

PubMed

Li, Zaifang; Ma, Guoqiang; Ge, Ru; Qin, Fei; Dong, Xinyun; Meng, Wei; Liu, Tiefeng; Tong, Jinhui; Jiang, Fangyuan; Zhou, Yifeng; Li, Ke; Min, Xue; Huo, Kaifu; Zhou, Yinhua

2016-01-18

Thick, uniform, easily processed, highly conductive polymer films are desirable as electrodes for solar cells as well as polymer capacitors. Here, a novel scalable strategy is developed to prepare highly conductive thick poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (HCT-PEDOT:PSS) films with layered structure that display a conductivity of 1400 S cm(-1) and a low sheet resistance of 0.59 ohm sq(-1). Organic solar cells with laminated HCT-PEDOT:PSS exhibit a performance comparable to the reference devices with vacuum-deposited Ag top electrodes. More importantly, the HCT-PEDOT:PSS film delivers a specific capacitance of 120 F g(-1) at a current density of 0.4 A g(-1). All-solid-state flexible symmetric supercapacitors with the HCT-PEDOT:PSS films display a high volumetric energy density of 6.80 mWh cm(-3) at a power density of 100 mW cm(-3) and 3.15 mWh cm(-3) at a very high power density of 16160 mW cm(-3) that outperforms previous reported solid-state supercapacitors based on PEDOT materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

NASA Astrophysics Data System (ADS)

Pan, Weichun; Kolomeisky, Anatoly B.; Vekilov, Peter G.

2005-05-01

Nucleation of ordered solid phases of proteins triggers numerous phenomena in laboratory, industry, and in healthy and sick organisms. Recent simulations and experiments with protein crystals suggest that the formation of an ordered crystalline nucleus is preceded by a disordered high-density cluster, akin to a droplet of high-density liquid that has been observed with some proteins; this mechanism allowed a qualitative explanation of recorded complex nucleation kinetics curves. Here, we present a simple phenomenological theory that takes into account intermediate high-density metastable states in the nucleation process. Nucleation rate data at varying temperature and protein concentration are reproduced with high fidelity using literature values of the thermodynamic and kinetic parameters of the system. Our calculations show that the growth rate of the near-critical and supercritical ordered clusters within the dense intermediate is a major factor for the overall nucleation rate. This highlights the role of viscosity within the dense intermediate for the formation of the ordered nucleus. The model provides an understanding of the action of additives that delay or accelerate nucleation and presents a framework within which the nucleation of other ordered protein solid phases, e.g., the sickle cell hemoglobin polymers, can be analyzed.

High Density Thermal Energy Storage with Supercritical Fluids

NASA Technical Reports Server (NTRS)

Ganapathi, Gani B.; Wirz, Richard

2012-01-01

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

Second relativistic mean field and virial equation of state for astrophysical simulations

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

Shen, G.; Horowitz, C. J.; O'Connor, E.

2011-06-15

We generate a second equation of state (EOS) of nuclear matter for a wide range of temperatures, densities, and proton fractions for use in supernovae, neutron star mergers, and black hole formation simulations. We employ full relativistic mean field (RMF) calculations for matter at intermediate density and high density, and the virial expansion of a nonideal gas for matter at low density. For this EOS we use the RMF effective interaction FSUGold, whereas our earlier EOS was based on the RMF effective interaction NL3. The FSUGold interaction has a lower pressure at high densities compared to the NL3 interaction. Wemore » calculate the resulting EOS at over 100 000 grid points in the temperature range T=0 to 80 MeV, the density range n{sub B}=10{sup -8} to 1.6 fm{sup -3}, and the proton fraction range Y{sub p}=0 to 0.56. We then interpolate these data points using a suitable scheme to generate a thermodynamically consistent equation of state table on a finer grid. We discuss differences between this EOS, our NL3-based EOS, and previous EOSs by Lattimer-Swesty and H. Shen et al. for the thermodynamic properties, composition, and neutron star structure. The original FSUGold interaction produces an EOS, which we call FSU1.7, that has a maximum neutron star mass of 1.7 solar masses. A modification in the high-density EOS is introduced to increase the maximum neutron star mass to 2.1 solar masses and results in a slightly different EOS that we call FSU2.1. The EOS tables for FSU1.7 and FSU2.1 are available for download.« less

Relaxation Time of High-Density Amorphous Ice

NASA Astrophysics Data System (ADS)

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

2012-06-01

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

Cellulose nanofibril/reduced graphene oxide/carbon nanotube hybrid aerogels for highly flexible and all-solid-state supercapacitors.

PubMed

Zheng, Qifeng; Cai, Zhiyong; Ma, Zhenqiang; Gong, Shaoqin

2015-02-11

A novel type of highly flexible and all-solid-state supercapacitor that uses cellulose nanofibril (CNF)/reduced graphene oxide (RGO)/carbon nanotube (CNT) hybrid aerogels as electrodes and H2SO4/poly(vinyl alcohol) (PVA) gel as the electrolyte was developed and is reported here. These flexible solid-state supercapacitors were fabricated without any binders, current collectors, or electroactive additives. Because of the porous structure of the CNF/RGO/CNT aerogel electrodes and the excellent electrolyte absorption properties of the CNFs present in the aerogel electrodes, the resulting flexible supercapacitors exhibited a high specific capacitance (i.e., 252 F g(-1) at a discharge current density of 0.5 A g(-1)) and a remarkable cycle stability (i.e., more than 99.5% of the capacitance was retained after 1000 charge-discharge cycles at a current density of 1 A g(-1)). Furthermore, the supercapacitors also showed extremely high areal capacitance, areal power density, and energy density (i.e., 216 mF cm(-2), 9.5 mW cm(-2), and 28.4 μWh cm(-2), respectively). In light of its excellent electrical performance, low cost, ease of large-scale manufacturing, and environmental friendliness, the CNF/RGO/CNT aerogel electrodes may have a promising application in the development of flexible energy-storage devices.

Development of 3D Urchin-Shaped Coaxial Manganese Dioxide@Polyaniline (MnO2@PANI) Composite and Self-Assembled 3D Pillared Graphene Foam for Asymmetric All-Solid-State Flexible Supercapacitor Application.

PubMed

Ghosh, Kalyan; Yue, Chee Yoon; Sk, Md Moniruzzaman; Jena, Rajeeb Kumar

2017-05-10

We have fabricated high-energy-density all-solid-state flexible asymmetric supercapacitor by using a facile novel 3D hollow urchin-shaped coaxial manganese dioxide@polyaniline (MnO 2 @PANI) composite as positive electrode and 3D graphene foam (GF) as negative electrode materials with polyvinyl alcohol (PVA)/KOH gel electrolyte. The coaxial MnO 2 @PANI composite was fabricated by hydrothermal route followed by oxidation without use of an external oxidant. The formation mechanism of the 3D hollow MnO 2 @PANI composite occurs first by nucleation and growth of the MnO 2 crystal species via dissolution-recrystallization and oriented attachment mechanisms followed by the oxidation of aniline monomers on the MnO 2 crystalline template. The self-assembled 3D graphene block was synthesized by hydrothermal route using vitamin C as a reducing agent. The microstructures of the composites are analyzed by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The morphology is characterized by field-emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM), which clearly showed the formation of urchin-shaped coaxial MnO 2 @PANI composite. The electrochemical studies are explored by cyclic voltammetry, electrochemical impedance spectrometry, and cyclic charge-discharge tests. The symmetric all-solid-state flexible MnO 2 @PANI//MnO 2 @PANI and GF//GF supercapacitors exhibit the specific capacitance of 129.2 and 82.1 F g -1 at 0.5 A/g current density, respectively. The solid-state asymmetric supercapacitor shows higher energy density (37 Wh kg -1 ) with respect to the solid-state symmetric supercapacitors MnO 2 @PANI//MnO 2 @PANI and GF//GF, where the obtained energy density are found to be 17.9 and 11.4 Wh kg -1 , respectively, at 0.5 A/g current density. Surprisingly, the asymmetric supercapacitor shows a high energy density of 22.3 Wh kg -1 at a high current density of 5 A g -1 . The solid-state asymmetric supercapacitor shows a good cyclic stability in which ∼11% capacitance loss was observed after 5000 cycles.

Characterization of edge turbulence in different states of divertor detachment using reflectometry in the ASDEX Upgrade tokamak

NASA Astrophysics Data System (ADS)

Nikolaeva, V.; Guimarais, L.; Manz, P.; Carralero, D.; Manso, M. E.; Stroth, U.; Silva, C.; Conway, G. D.; Seliunin, E.; Vicente, J.; Brida, D.; Aguiam, D.; Santos, J.; Silva, A.; ASDEX Upgrade team; MST1 team

2018-05-01

Transport in the scrape-off layer (SOL) depends on the state of divertor detachment. L-mode discharges were analyzed where the state of divertor detachment is varied through a density ramp-up. By means of reflectometry measurements at the low (LFS) and the high field side (HFS), midplane density fluctuations are studied for the first time in ASDEX Upgrade simultaneously at both sides of the tokamak. Radial density fluctuation profiles (δ {n}e/{n}e) increase with radius in both the HFS and the LFS. It is found that in the SOL density fluctuations at the LFS have about a factor of two larger amplitude than at the HFS in agreement with ballooned transport. Density fluctuations at the LFS show a modest variation with increasing background density resulting mainly from a rise of low frequency components. Experimental results are in good agreement with an enhanced convection of filaments at the LFS at the beginning of outer divertor detachment leading to a flatter SOL density profile. In this phase of the discharge, density fluctuations measured at the HFS far-SOL display a strong increase, which may be associated with the presence of faster filaments originated at the LFS.

Enhanced critical current density in the pressure-induced magnetic state of the high-temperature superconductor FeSe

PubMed Central

Jung, Soon-Gil; Kang, Ji-Hoon; Park, Eunsung; Lee, Sangyun; Lin, Jiunn-Yuan; Chareev, Dmitriy A.; Vasiliev, Alexander N.; Park, Tuson

2015-01-01

We investigate the relation of the critical current density (Jc) and the remarkably increased superconducting transition temperature (Tc) for the FeSe single crystals under pressures up to 2.43 GPa, where the Tc is increased by ~8 K/GPa. The critical current density corresponding to the free flux flow is monotonically enhanced by pressure which is due to the increase in Tc, whereas the depinning critical current density at which the vortex starts to move is more influenced by the pressure-induced magnetic state compared to the increase of Tc. Unlike other high-Tc superconductors, FeSe is not magnetic, but superconducting at ambient pressure. Above a critical pressure where magnetic state is induced and coexists with superconductivity, the depinning Jc abruptly increases even though the increase of the zero-resistivity Tc is negligible, directly indicating that the flux pinning property compared to the Tc enhancement is a more crucial factor for an achievement of a large Jc. In addition, the sharp increase in Jc in the coexisting superconducting phase of FeSe demonstrates that vortices can be effectively trapped by the competing antiferromagnetic order, even though its antagonistic nature against superconductivity is well documented. These results provide new guidance toward technological applications of high-temperature superconductors. PMID:26548444

I-Love-Q to the extreme

NASA Astrophysics Data System (ADS)

Silva, Hector O.; Yunes, Nicolás

2018-01-01

Certain bulk properties of neutron stars, in particular their moment of inertia, rotational quadrupole moment and tidal Love number, when properly normalized, are related to one another in a nearly equation of state independent way. The goal of this paper is to test these relations with extreme equations of state at supranuclear densities constrained to satisfy only a handful of generic, physically sensible conditions. By requiring that the equation of state be (i) barotropic and (ii) its associated speed of sound be real, we construct a piecewise function that matches a tabulated equation of state at low densities, while matching a stiff equation of state parametrized by its sound speed in the high-density region. We show that the I-Love-Q relations hold to 1 percent with this class of equations of state, even in the extreme case where the speed of sound becomes superluminal and independently of the transition density. We also find further support for the interpretation of the I-Love-Q relations as an emergent symmetry due to the nearly constant eccentricity of isodensity contours inside the star. These results reinforce the robustness of the I-Love-Q relations against our current incomplete picture of physics at supranuclear densities, while strengthening our confidence in the applicability of these relations in neutron star astrophysics.

Three-Dimensional Expanded Graphene-Metal Oxide Film via Solid-State Microwave Irradiation for Aqueous Asymmetric Supercapacitors.

PubMed

Yang, MinHo; Lee, Kyoung G; Lee, Seok Jae; Lee, Sang Bok; Han, Young-Kyu; Choi, Bong Gill

2015-10-14

Carbon-based electrochemical double-layer capacitors and pseudocapacitors, consisting of a symmetric configuration of electrodes, can deliver much higher power densities than batteries, but they suffer from low energy densities. Herein, we report the development of high energy and power density supercapacitors using an asymmetric configuration of Fe2O3 and MnO2 nanoparticles incorporated into 3D macroporous graphene film electrodes that can be operated in a safe and low-cost aqueous electrolyte. The gap in working potential windows of Fe2O3 and MnO2 enables the stable expansion of the cell voltage up to 1.8 V, which is responsible for the high energy density (41.7 Wh kg(-1)). We employ a household microwave oven to simultaneously create conductivity, porosity, and the deposition of metal oxides on graphene films toward 3D hybrid architectures, which lead to a high power density (13.5 kW kg(-1)). Such high energy and power densities are maintained for over 5000 cycles, even during cycling at a high current density of 16.9 A g(-1).

MODFLOW/MT3DMS-based simulation of variable-density ground water flow and transport

USGS Publications Warehouse

Langevin, C.D.; Guo, W.

2006-01-01

This paper presents an approach for coupling MODFLOW and MT3DMS for the simulation of variable-density ground water flow. MODFLOW routines were modified to solve a variable-density form of the ground water flow equation in which the density terms are calculated using an equation of state and the simulated MT3DMS solute concentrations. Changes to the MODFLOW and MT3DMS input files were kept to a minimum, and thus existing data files and data files created with most pre- and postprocessors can be used directly with the SEAWAT code. The approach was tested by simulating the Henry problem and two of the saltpool laboratory experiments (low- and high-density cases). For the Henry problem, the simulated results compared well with the steady-state semianalytic solution and also the transient isochlor movement as simulated by a finite-element model. For the saltpool problem, the simulated breakthrough curves compared better with the laboratory measurements for the low-density case than for the high-density case but showed good agreement with the measured salinity isosurfaces for both cases. Results from the test cases presented here indicate that the MODFLOW/MT3DMS approach provides accurate solutions for problems involving variable-density ground water flow and solute transport. ?? 2006 National Ground Water Association.

Dense simple plasmas as high-temperature liquid simple metals

NASA Technical Reports Server (NTRS)

Perrot, F.

1990-01-01

The thermodynamic properties of dense plasmas considered as high-temperature liquid metals are studied. An attempt is made to show that the neutral pseudoatom picture of liquid simple metals may be extended for describing plasmas in ranges of densities and temperatures where their electronic structure remains 'simple'. The primary features of the model when applied to plasmas include the temperature-dependent self-consistent calculation of the electron charge density and the determination of a density and temperature-dependent ionization state.

Modelling charge transfer reactions with the frozen density embedding formalism.

PubMed

Pavanello, Michele; Neugebauer, Johannes

2011-12-21

The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two π-stacked nucleobase dimers of B-DNA: 5'-GG-3' and 5'-GT-3'. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

Methods for passivating silicon devices at low temperature to achieve low interface state density and low recombination velocity while preserving carrier lifetime

DOEpatents

Chen, Zhizhang; Rohatgi, Ajeet

1995-01-01

A new process has been developed to achieve a very low SiO.sub.x /Si interface state density D.sub.it, low recombination velocity S (<2 cm/s), and high effective carrier lifetime T.sub.eff (>5 ms) for oxides deposited on silicon substrates at low temperature. The technique involves direct plasma-enhanced chemical vapor deposition (PECVD), with appropriate growth conditions, followed by a photo-assisted rapid thermal annealing (RTA) process. Approximately 500-A-thick SiO.sub.x layers are deposited on Si by PECVD at 250.degree. C. with 0.02 W/cm.sup.-2 rf power, then covered with SiN or an evaporated thin aluminum layer, and subjected to a photo-assisted anneal in forming gas ambient at 350.degree. C., resulting in an interface state density D.sub.it in the range of about 1-4.times.10.sup.10 cm.sup.-2 eV.sup.-1, which sets a record for the lowest interface state density D.sub.it for PECVD oxides fabricated to date. Detailed analysis shows that the PECVD deposition conditions, photo-assisted anneal, forming gas ambient, and the presence of an aluminum layer on top of the oxides during the anneal, all contributed to this low value of interface state density D.sub.it. Detailed metal-oxide semiconductor analysis and model calculations show that such a low recombination velocity S is the result of moderately high positive oxide charge (5.times.10.sup.11 -1.times.10.sup.12 cm.sup.-2) and relatively low midgap interface state density (1.times.10.sup.10 -4.times.10.sup.10 cm.sup.-2 eV.sup.-1). Photo-assisted anneal was found to be superior to furnace annealing, and a forming gas ambient was better than a nitrogen ambient for achieving a very low surface recombination velocity S.

Effects of geometrical frustration on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice

NASA Astrophysics Data System (ADS)

Farkašovský, Pavol

2018-05-01

The small-cluster exact-diagonalization calculations and the projector quantum Monte Carlo method are used to examine the competing effects of geometrical frustration and interaction on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice. It is shown that the geometrical frustration stabilizes the ferromagnetic state at high electron concentrations ( n ≳ 7/4), where strong correlations between ferromagnetism and the shape of the noninteracting density of states are observed. In particular, it is found that ferromagnetism is stabilized for these values of frustration parameters, which lead to the single-peaked noninterating density of states at the band edge. Once, two or more peaks appear in the noninteracting density of states at the band edge the ferromagnetic state is suppressed. This opens a new route towards the understanding of ferromagnetism in strongly correlated systems.

Absolute Steady-State Thermal Conductivity Measurements by Use of a Transient Hot-Wire System.

PubMed

Roder, H M; Perkins, R A; Laesecke, A; Nieto de Castro, C A

2000-01-01

A transient hot-wire apparatus was used to measure the thermal conductivity of argon with both steady-state and transient methods. The effects of wire diameter, eccentricity of the wire in the cavity, axial conduction, and natural convection were accounted for in the analysis of the steady-state measurements. Based on measurements on argon, the relative uncertainty at the 95 % level of confidence of the new steady-state measurements is 2 % at low densities. Using the same hot wires, the relative uncertainty of the transient measurements is 1 % at the 95 % level of confidence. This is the first report of thermal conductivity measurements made by two different methods in the same apparatus. The steady-state method is shown to complement normal transient measurements at low densities, particularly for fluids where the thermophysical properties at low densities are not known with high accuracy.

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

PubMed

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

2017-11-29

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

Quasi-ballistic carbon nanotube array transistors with current density exceeding Si and GaAs

PubMed Central

Brady, Gerald J.; Way, Austin J.; Safron, Nathaniel S.; Evensen, Harold T.; Gopalan, Padma; Arnold, Michael S.

2016-01-01

Carbon nanotubes (CNTs) are tantalizing candidates for semiconductor electronics because of their exceptional charge transport properties and one-dimensional electrostatics. Ballistic transport approaching the quantum conductance limit of 2G0 = 4e2/h has been achieved in field-effect transistors (FETs) containing one CNT. However, constraints in CNT sorting, processing, alignment, and contacts give rise to nonidealities when CNTs are implemented in densely packed parallel arrays such as those needed for technology, resulting in a conductance per CNT far from 2G0. The consequence has been that, whereas CNTs are ultimately expected to yield FETs that are more conductive than conventional semiconductors, CNTs, instead, have underperformed channel materials, such as Si, by sixfold or more. We report quasi-ballistic CNT array FETs at a density of 47 CNTs μm−1, fabricated through a combination of CNT purification, solution-based assembly, and CNT treatment. The conductance is as high as 0.46 G0 per CNT. In parallel, the conductance of the arrays reaches 1.7 mS μm−1, which is seven times higher than the previous state-of-the-art CNT array FETs made by other methods. The saturated on-state current density is as high as 900 μA μm−1 and is similar to or exceeds that of Si FETs when compared at and equivalent gate oxide thickness and at the same off-state current density. The on-state current density exceeds that of GaAs FETs as well. This breakthrough in CNT array performance is a critical advance toward the exploitation of CNTs in logic, high-speed communications, and other semiconductor electronics technologies. PMID:27617293

Quasi-ballistic carbon nanotube array transistors with current density exceeding Si and GaAs.

PubMed

Brady, Gerald J; Way, Austin J; Safron, Nathaniel S; Evensen, Harold T; Gopalan, Padma; Arnold, Michael S

2016-09-01

Carbon nanotubes (CNTs) are tantalizing candidates for semiconductor electronics because of their exceptional charge transport properties and one-dimensional electrostatics. Ballistic transport approaching the quantum conductance limit of 2G 0 = 4e (2)/h has been achieved in field-effect transistors (FETs) containing one CNT. However, constraints in CNT sorting, processing, alignment, and contacts give rise to nonidealities when CNTs are implemented in densely packed parallel arrays such as those needed for technology, resulting in a conductance per CNT far from 2G 0. The consequence has been that, whereas CNTs are ultimately expected to yield FETs that are more conductive than conventional semiconductors, CNTs, instead, have underperformed channel materials, such as Si, by sixfold or more. We report quasi-ballistic CNT array FETs at a density of 47 CNTs μm(-1), fabricated through a combination of CNT purification, solution-based assembly, and CNT treatment. The conductance is as high as 0.46 G 0 per CNT. In parallel, the conductance of the arrays reaches 1.7 mS μm(-1), which is seven times higher than the previous state-of-the-art CNT array FETs made by other methods. The saturated on-state current density is as high as 900 μA μm(-1) and is similar to or exceeds that of Si FETs when compared at and equivalent gate oxide thickness and at the same off-state current density. The on-state current density exceeds that of GaAs FETs as well. This breakthrough in CNT array performance is a critical advance toward the exploitation of CNTs in logic, high-speed communications, and other semiconductor electronics technologies.

Nucleosome dynamics and maintenance of epigenetic states of CpG islands

NASA Astrophysics Data System (ADS)

Sneppen, Kim; Dodd, Ian B.

2016-06-01

Methylation of mammalian DNA occurs primarily at CG dinucleotides. These CpG sites are located nonrandomly in the genome, tending to occur within high density clusters of CpGs (islands) or within large regions of low CpG density. Cluster methylation tends to be bimodal, being dominantly unmethylated or mostly methylated. For CpG clusters near promoters, low methylation is associated with transcriptional activity, while high methylation is associated with gene silencing. Alternative CpG methylation states are thought to be stable and heritable, conferring localized epigenetic memory that allows transient signals to create long-lived gene expression states. Positive feedback where methylated CpG sites recruit enzymes that methylate nearby CpGs, can produce heritable bistability but does not easily explain that as clusters increase in size or density they change from being primarily methylated to primarily unmethylated. Here, we show that an interaction between the methylation state of a cluster and its occupancy by nucleosomes provides a mechanism to generate these features and explain genome wide systematics of CpG islands.

Direct measurement of density of states in pentacene thin film transistors

NASA Astrophysics Data System (ADS)

Yogev, S.; Halpern, E.; Matsubara, R.; Nakamura, M.; Rosenwaks, Y.

2011-10-01

We report on direct high lateral resolution measurements of density of states in pentacene thin film transistors using Kelvin probe force microscopy. The measurements were conducted on passivated (hexamethyldisilazane) and unpassivated field effect transistors with 10- and 30-nm-thick pentacene polycrystalline layers. The analysis takes into account both the band bending in the organic film and the trapped charge at the SiO2-pentacene interface. We found that the density of states for the highest occupied molecular orbital band of pentacene film on the treated substrate is Gaussian with a width (variance) of σ=0.07±0.01eV and an exponential tail. The concentration of the density of states in the gap for pentacene on bare SiO2 substrate was larger by one order of magnitude, had a different energy distribution, and induced Fermi level pinning. The results are discussed in view of their effect on pentacene thin film transistors’ performance.

Experimental observations of nonlinearly enhanced 2omega-UH electromagnetic radiation excited by steady-state colliding electron beams

NASA Technical Reports Server (NTRS)

Intrator, T.; Hershkowitz, N.; Chan, C.

1984-01-01

Counterstreaming large-diameter electron beams in a steady-state laboratory experiment are observed to generate transverse radiation at twice the upper-hybrid frequency (2omega-UH) with a quadrupole radiation pattern. The electromagnetic wave power density is nonlinearly enhanced over the power density obtained from a single beam-plasma system. Electromagnetic power density scales exponentially with beam energy and increases with ion mass. Weak turbulence theory can predict similar (but weaker) beam energy scaling but not the high power density, or the predominance of the 2omega-UH radiation peak over the omega-UH peak. Significant noise near the upper-hybrid and ion plasma frequencies is also measured, with normalized electrostatic wave energy density W(ES)/n(e)T(e) approximately 0.01.

Suppression of Superfluid Density and the Pseudogap State in the Cuprates by Impurities

DOE PAGES

Erdenemunkh, Unurbat; Koopman, Brian; Fu, Ling; ...

2016-12-16

Here, we use scanning tunneling microscopy (STM) to study magnetic Fe impurities intentionally doped into the high-temperature superconductor Bi 2Sr 2CaCu 2O 8+δ. Our spectroscopic measurements reveal that Fe impurities introduce low-lying resonances in the density of states at Ω 1 ≈ 4 meV and Ω 2 ≈ 15 meV , allowing us to determine that, despite having a large magnetic moment, potential scattering of quasiparticles by Fe impurities dominates magnetic scattering. In addition, using high-resolution spatial characterizations of the local density of states near and away from Fe impurities, we detail the spatial extent of impurity-affected regions as wellmore » as provide a local view of impurity-induced effects on the superconducting and pseudogap states. Lastly, our studies of Fe impurities, when combined with a reinterpretation of earlier STM work in the context of a two-gap scenario, allow us to present a unified view of the atomic-scale effects of elemental impurities on the pseudogap and superconducting states in hole-doped cuprates; this may help resolve a previously assumed dichotomy between the effects of magnetic and nonmagnetic impurities in these materials.« less

Variable energy, high flux, ground-state atomic oxygen source

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

1987-01-01

A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

Free electron laser-driven ultrafast rearrangement of the electronic structure in Ti

PubMed Central

Principi, E.; Giangrisostomi, E.; Cucini, R.; Bencivenga, F.; Battistoni, A.; Gessini, A.; Mincigrucci, R.; Saito, M.; Di Fonzo, S.; D'Amico, F.; Di Cicco, A.; Gunnella, R.; Filipponi, A.; Giglia, A.; Nannarone, S.; Masciovecchio, C.

2015-01-01

High-energy density extreme ultraviolet radiation delivered by the FERMI seeded free-electron laser has been used to create an exotic nonequilibrium state of matter in a titanium sample characterized by a highly excited electron subsystem at temperatures in excess of 10 eV and a cold solid-density ion lattice. The obtained transient state has been investigated through ultrafast absorption spectroscopy across the Ti M2,3-edge revealing a drastic rearrangement of the sample electronic structure around the Fermi level occurring on a time scale of about 100 fs. PMID:26798835

Charge density wave order in 1D mirror twin boundaries of single-layer MoSe 2

DOE PAGES

Barja, Sara; Wickenburg, Sebastian; Liu, Zhen-Fei; ...

2016-04-18

Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent densitymore » of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.« less

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

DOE PAGES

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.; ...

2016-12-01

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

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

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Facilitation of epileptic activity during sleep is mediated by high amplitude slow waves

PubMed Central

von Ellenrieder, Nicolás; Ferrari-Marinho, Taissa; Avoli, Massimo; Dubeau, François; Gotman, Jean

2015-01-01

Epileptic discharges in focal epilepsy are frequently activated during non-rapid eye movement sleep. Sleep slow waves are present during this stage and have been shown to include a deactivated (‘down’, hyperpolarized) and an activated state (‘up’, depolarized). The ‘up’ state enhances physiological rhythms, and we hypothesize that sleep slow waves and particularly the ‘up’ state are the specific components of non-rapid eye movement sleep that mediate the activation of epileptic activity. We investigated eight patients with pharmaco-resistant focal epilepsies who underwent combined scalp-intracerebral electroencephalography for diagnostic evaluation. We analysed 259 frontal electroencephalographic channels, and manually marked 442 epileptic spikes and 8487 high frequency oscillations during high amplitude widespread slow waves, and during matched control segments with low amplitude widespread slow waves, non-widespread slow waves or no slow waves selected during the same sleep stages (total duration of slow wave and control segments: 49 min each). During the slow waves, spikes and high frequency oscillations were more frequent than during control segments (79% of spikes during slow waves and 65% of high frequency oscillations, both P ∼ 0). The spike and high frequency oscillation density also increased for higher amplitude slow waves. We compared the density of spikes and high frequency oscillations between the ‘up’ and ‘down’ states. Spike and high frequency oscillation density was highest during the transition from the ‘up’ to the ‘down’ state. Interestingly, high frequency oscillations in channels with normal activity expressed a different peak at the transition from the ‘down’ to the ‘up’ state. These results show that the apparent activation of epileptic discharges by non-rapid eye movement sleep is not a state-dependent phenomenon but is predominantly associated with specific events, the high amplitude widespread slow waves that are frequent, but not continuous, during this state of sleep. Both epileptic spikes and high frequency oscillations do not predominate, like physiological activity, during the ‘up’ state but during the transition from the ‘up’ to the ‘down’ state of the slow wave, a period of high synchronization. Epileptic discharges appear therefore more associated with synchronization than with excitability. Furthermore, high frequency oscillations in channels devoid of epileptic activity peak differently during the slow wave cycle from those in channels with epileptic activity. This property may allow differentiating physiological from pathological high frequency oscillations, a problem that is unresolved until now. PMID:25792528

Evolution of metastable state molecules N2(A3 Σu+) in a nanosecond pulsed discharge: A particle-in-cell/Monte Carlo collisions simulation

NASA Astrophysics Data System (ADS)

Gao, Liang; Sun, Jizhong; Feng, Chunlei; Bai, Jing; Ding, Hongbin

2012-01-01

A particle-in-cell plus Monte Carlo collisions method has been employed to investigate the nitrogen discharge driven by a nanosecond pulse power source. To assess whether the production of the metastable state N2(A3 Σu+) can be efficiently enhanced in a nanosecond pulsed discharge, the evolutions of metastable state N2(A3 Σu+) density and electron energy distribution function have been examined in detail. The simulation results indicate that the ultra short pulse can modulate the electron energy effectively: during the early pulse-on time, high energy electrons give rise to quick electron avalanche and rapid growth of the metastable state N2(A3 Σu+) density. It is estimated that for a single pulse with amplitude of -9 kV and pulse width 30 ns, the metastable state N2(A3 Σu+) density can achieve a value in the order of 109 cm-3. The N2(A3 Σu+) density at such a value could be easily detected by laser-based experimental methods.

Constructing Hierarchical Tectorum-like α-Fe2 O3 /PPy Nanoarrays on Carbon Cloth for Solid-State Asymmetric Supercapacitors.

PubMed

Wang, Libin; Yang, Huiling; Liu, Xiaoxiao; Zeng, Rui; Li, Ming; Huang, Yunhui; Hu, Xianluo

2017-01-19

The design of complex heterostructured electrode materials that deliver superior electrochemical performances to their individual counterparts has stimulated intensive research on configuring supercapacitors with high energy and power densities. Herein we fabricate hierarchical tectorum-like α-Fe 2 O 3 /polypyrrole (PPy) nanoarrays (T-Fe 2 O 3 /PPy NAs). The 3D, and interconnected T-Fe 2 O 3 /PPy NAs are successfully grown on conductive carbon cloth through an easy self-sacrificing template and in situ vapor-phase polymerization route under mild conditions. The electrode made of the T-Fe 2 O 3 /PPy NAs exhibits a high areal capacitance of 382.4 mF cm -2 at a current density of 0.5 mA cm -2 and excellent reversibility. The solid-state asymmetric supercapacitor consisting of T-Fe 2 O 3 /PPy NAs and MnO 2 electrodes achieves a high energy density of 0.22 mWh cm -3 at a power density of 165.6 mW cm -3 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Probing the nuclear symmetry energy at high densities with nuclear reactions

NASA Astrophysics Data System (ADS)

Leifels, Y.

2017-11-01

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

Socioeconomic area disparities in tobacco retail outlet density: a Western Australian analysis.

PubMed

Wood, Lisa J; Pereira, Gavin; Middleton, Nick; Foster, Sarah

2013-05-20

To examine the association between tobacco outlet density and area socioeconomic status (SES) in Western Australia. Ecological cross-sectional study investigating the relationship between the area SES of, and the density of tobacco retail outlets in, WA suburbs and towns for the Perth metropolitan area, and at the regional and state level. SES was determined using the 2006 Australian Bureau of Statistics Index of Relative Socioeconomic Advantage and Disadvantage (IRSAD) and classified into quartiles (very low, low, high and very high); tobacco outlet data were sourced from the WA Department of Health register of retailers licensed to sell tobacco at May 2011. Tobacco outlet density rate (per 10 000 residents). In WA overall, suburbs and towns with a very low IRSAD had more than four times the number of tobacco outlets compared with those with a very high IRSAD (P> < 0.001). This trend was similar when analyses were restricted to the Perth metropolitan area and to regional areas. Suburbs and towns in regional WA with a very low IRSAD had more than five times the number of tobacco outlets than those with a very high IRSAD (P> < 0.001). This study provides the first Australian evidence of a strong relationship between area SES and tobacco outlet density. Findings are consistent with a number of United States studies that report higher tobacco outlet densities in lower SES or minority neighbourhoods. The results underscore the importance of policy approaches to limit the number of tobacco retail licences granted, and to reduce the geographic density of outlets in more disadvantaged suburbs and towns.

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

Koryazhkina, M. N., E-mail: mahavenok@mail.ru; Tikhov, S. V.; Gorshkov, O. N.

It is shown that the formation of Au nanoparticles at the insulator–silicon interface in structures with a high density of surface states results in a shift of the Fermi-level pinning energy at this interface towards the valence-band ceiling in silicon and in increasing the surface-state density at energies close to the Fermi level. In this case, a band with a peak at 0.85 eV arises on the photosensivity curves of the capacitor photovoltage, which is explained by the photoemission of electrons from the formed Au-nanoparticle electron states near the valence-band ceiling in silicon.

Evaluation of Electrical Characteristics and Trap-State Density in Bottom-Gate Polycrystalline Thin Film Transistors Processed with High-Pressure Water Vapor Annealing

NASA Astrophysics Data System (ADS)

Kunii, Masafumi

2006-02-01

This paper discusses electrical characteristics and trap-state density in polycrystalline silicon (poly-Si) used in bottom-gate poly-Si thin film transistors (TFTs) processed with high-pressure water vapor annealing (HWA). The threshold voltage uniformity of the HWA-processed TFTs is improved by 42% for N-channel and 38% for P-channel TFTs in terms of standard deviation, and carrier mobility is enhanced by 10% or greater for both N- and P-channel TFTs than those TFTs processed conventionally. Subthreshold swing is also improved by HWA, showing that HWA postannealing is effective for improving the Si/SiO2 interface of the bottom-gate TFTs. Two types of TFTs having different poly-Si crystallinities are examined to investigate carrier transport in poly-Si processed by HWA postannealing. The evaluation of trap-state density for the two types of poly-Si reveals that HWA postannealing is more efficient for N-channel than for P-channel TFTs. Furthermore, HWA postannealing is more effective for poly-Si with high crystallinity to improve TFT characteristics. The analysis of the trap-state distributions and the activation energy of TFT drain current indicate that HWA deactivates dangling bonds highly localized at poly-Si grain boundaries (GBs). Thus, HWA postannealing effects can be interpreted by a GB barrier potential model similar to that applied to conventional hydrogenation.

Highly Structured Wind in Vela X-1

NASA Technical Reports Server (NTRS)

Kreykenbohm, Ingo; Wilms, Joern; Kretschmar, Peter; Torrejon, Jose Miguel; Pottschmidt, Katja; Hanke, Manfred; Santangelo, Andrea; Ferrigno, Carlo; Staubert, Ruediger

2008-01-01

We present an in-depth analysis of the spectral and temporal behavior of a long almost uninterrupted INTEGRAL observation of Vela X-1 in Nov/Dec 2003. In addition to an already high activity level, Vela X-1 exhibited several very intense flares with a maximum intensity of more than 5 Crab in the 20 40 keV band. Furthermore Vela X-1 exhibited several off states where the source became undetectable with ISGRI. We interpret flares and off states as being due to the strongly structured wind of the optical companion: when Vela X-1 encounters a cavity in the wind with strongly reduced density, the flux will drop, thus potentially triggering the onset of the propeller effect which inhibits further accretion, thus giving rise to the off states. The required drop in density to trigger the propeller effect in Vela X-1 is of the same order as predicted by theoretical papers for the densities in the OB star winds. The same structured wind can give rise to the giant flares when Vela X-1 encounters a dense blob in the wind. Further temporal analysis revealed that a short lived QPO with a period of 6800 sec is present. The part of the light curve during which the QPO is present is very close to the off states and just following a high intensity state, thus showing that all these phenomena are related.

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.

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality

NASA Astrophysics Data System (ADS)

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-01

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high Tc superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality.

PubMed

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-27

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high T_{c} superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

Shock compression experiments on Lithium Deuteride (LiD) single crystals

DOE PAGES

Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

2016-12-21

Shock compression experiments in the few hundred GPa (multi-Mabr) regime were performed on Lithium Deuteride (LiD) single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ~200-600 GPa along the Principal Hugoniot – the locus of end states achievable through compression by large amplitude shock waves – as well as pressure and density of re - shock states up to ~900 GPa. Lastly, the experimental measurements are compared with recent density functional theorymore » calculations as well as a new tabular equation of state developed at Los Alamos National Labs.« less

Hippocampal Sharp Wave Bursts Coincide with Neocortical "Up-State" Transitions

ERIC Educational Resources Information Center

Battaglia, Francesco P.; Sutherland, Gary R.; McNaughton, Bruce L.

2004-01-01

The sleeping neocortex shows nested oscillatory activity in different frequency ranges, characterized by fluctuations between "up-states" and "down-states." High-density neuronal ensemble recordings in rats now reveal the interaction between synchronized activity in the hippocampus and neocortex: Electroencephalographic sharp…

Evolution from Rydberg gas to ultracold plasma in a supersonic atomic beam of Xe

NASA Astrophysics Data System (ADS)

Hung, J.; Sadeghi, H.; Schulz-Weiling, M.; Grant, E. R.

2014-08-01

A Rydberg gas of xenon, entrained in a supersonic atomic beam, evolves slowly to form an ultracold plasma. In the early stages of this evolution, when the free-electron density is low, Rydberg atoms undergo long-range \\ell -mixing collisions, yielding states of high orbital angular momentum. The development of high-\\ell states promotes dipole-dipole interactions that help to drive Penning ionization. The electron density increases until it reaches the threshold for avalanche. Ninety μs after the production of a Rydberg gas with the initial state, {{n}_{0}}{{\\ell }_{0}}=42d, a 432 V cm-1 electrostatic pulse fails to separate charge in the excited volume, an effect which is ascribed to screening by free electrons. Photoexcitation cross sections, observed rates of \\ell -mixing, and a coupled-rate-equation model simulating the onset of the electron-impact avalanche point consistently to an initial Rydberg gas density of 5\\times {{10}^{8}}\\;c{{m}^{-3}}.

Properties of electronically excited states of four squaraine dyes and their complexes with fullerene C70: A theoretical investigation

NASA Astrophysics Data System (ADS)

Zhang, Jian; Li, Tingyu

2017-09-01

Solar cells sensitized by polypyridyl Ru(II) complexes exhibit relatively high efficiency, however those photo-sensitizers did not absorb the photons in the far-red and near-infrared region. At present, squaraine dyes have received considerable attention as their attractively intrinsic red light absorption and unusual high molar extinction coefficient. Here we applied density functional theory and time dependent density functional theory to investigate the properties of electronically excited states of four squaraine dyes and their complexes with fullerene C70. The influences of different functionals, basis sets and solvent effects are evaluated. To understand the photophysical properties, the investigations are basing on a classification method which splits the squaraine dyes and their complexes with fullerene C70 into two units to characterize the intramolecular density distribution. We present the signatures of their electronically excited states which are characterized as local excitation or charge-transfer excitation. The relationship between open-circuit voltage and the number of intramolecular hydrogen bonds in squaraine dyes are discussed.

Monte Carlo simulation of hard spheres near random closest packing using spherical boundary conditions

NASA Astrophysics Data System (ADS)

Tobochnik, Jan; Chapin, Phillip M.

1988-05-01

Monte Carlo simulations were performed for hard disks on the surface of an ordinary sphere and hard spheres on the surface of a four-dimensional hypersphere. Starting from the low density fluid the density was increased to obtain metastable amorphous states at densities higher than previously achieved. Above the freezing density the inverse pressure decreases linearly with density, reaching zero at packing fractions equal to 68% for hard spheres and 84% for hard disks. Using these new estimates for random closest packing and coefficients from the virial series we obtain an equation of state which fits all the data up to random closest packing. Usually, the radial distribution function showed the typical split second peak characteristic of amorphous solids and glasses. High density systems which lacked this split second peak and showed other sharp peaks were interpreted as signaling the onset of crystal nucleation.

Unidirectional threshold switching in Ag/Si-based electrochemical metallization cells for high-density bipolar RRAM applications

NASA Astrophysics Data System (ADS)

Wang, Chao; Song, Bing; Li, Qingjiang; Zeng, Zhongming

2018-03-01

We herein present a novel unidirectional threshold selector for cross-point bipolar RRAM array. The proposed Ag/amorphous Si based threshold selector showed excellent threshold characteristics in positive field, such as high selectivity ( 105), steep slope (< 5 mV/decade) and low off-state current (< 300 pA). Meanwhile, the selector exhibited rectifying characteristics in the high resistance state as well and the rectification ratio was as high as 103 at ± 1.5 V. Nevertheless, due to the high reverse current about 9 mA at - 3 V, this unidirectional threshold selector can be used as a selection element for bipolar-type RRAM. By integrating a bipolar RRAM device with the selector, experiments showed that the undesired sneak was significantly suppressed, indicating its potentiality for high-density integrated nonvolatile memory applications.

A promising high-energy-density material.

PubMed

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

2017-08-03

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

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

PubMed Central

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

2017-01-01

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

Work Hardening, Dislocation Structure, and Load Partitioning in Lath Martensite Determined by In Situ Neutron Diffraction Line Profile Analysis

NASA Astrophysics Data System (ADS)

Harjo, Stefanus; Kawasaki, Takuro; Tomota, Yo; Gong, Wu; Aizawa, Kazuya; Tichy, Geza; Shi, Zengmin; Ungár, Tamas

2017-09-01

A lath martensite steel containing 0.22 mass pct carbon was analyzed in situ during tensile deformation by high-resolution time-of-flight neutron diffraction to clarify the large work-hardening behavior at the beginning of plastic deformation. The diffraction peaks in plastically deformed states exhibit asymmetries as the reflection of redistributions of the stress and dislocation densities/arrangements in two lath packets: soft packet, where the dislocation glides are favorable, and hard packet, where they are unfavorable. The dislocation density was as high as 1015 m-2 in the as-heat-treated state. During tensile straining, the load and dislocation density became different between the two lath packets. The dislocation character and arrangement varied in the hard packet but hardly changed in the soft packet. In the hard packet, dislocations that were mainly screw-type in the as-heat-treated state became primarily edge-type and rearranged towards a dipole character related to constructing cell walls. The hard packet played an important role in the work hardening in martensite, which could be understood by considering the increase in dislocation density along with the change in dislocation arrangement.

Effects of residual hydrogen in sputtering atmosphere on structures and properties of amorphous In-Ga-Zn-O thin films

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

Tang, Haochun; Ishikawa, Kyohei; Ide, Keisuke

2015-11-28

We investigated the effects of residual hydrogen in sputtering atmosphere on subgap states and carrier transport in amorphous In-Ga-Zn-O (a-IGZO) using two sputtering systems with different base pressures of ∼10{sup −4} and 10{sup −7 }Pa (standard (STD) and ultrahigh vacuum (UHV) sputtering, respectively), which produce a-IGZO films with impurity hydrogen contents at the orders of 10{sup 20} and 10{sup 19 }cm{sup −3}, respectively. Several subgap states were observed by hard X-ray photoemission spectroscopy, i.e., peak-shape near-valence band maximum (near-VBM) states, shoulder-shape near-VBM states, peak-shape near-conduction band minimum (near-CBM) states, and step-wise near-CBM states. It was confirmed that the formation of these subgapmore » states were affected strongly by the residual hydrogen (possibly H{sub 2}O). The step-wise near-CBM states were observed only in the STD films deposited without O{sub 2} gas flow and attributed to metallic In. Such step-wise near-CBM state was not detected in the other films including the UHV films even deposited without O{sub 2} flow, substantiating that the metallic In is segregated by the strong reduction effect of the hydrogen/H{sub 2}O. Similarly, the density of the near-VBM states was very high for the STD films deposited without O{sub 2}. These films had low film density and are consistent with a model that voids in the amorphous structure form a part of the near-VBM states. On the other hand, the UHV films had high film densities and much less near-VBM states, keeping the possibility that some of the near-VBM states, in particular, of the peak-shape ones, originate from –OH and weakly bonded oxygen. These results indicate that 2% of excess O{sub 2} flow is required for the STD sputtering to compensate the effects of the residual hydrogen/H{sub 2}O. The high-density near-VBM states and the metallic In segregation deteriorated the electron mobility to 0.4 cm{sup 2}/(V s)« less

Charge Density Dependent Hole Mobility and Density of States Throughout the Entire Finite Potential Window of Conductivity in Ionic Liquid Gated Poly(3-hexylthiophene)

NASA Astrophysics Data System (ADS)

Paulsen, Bryan D.; Frisbie, C. Daniel

2012-02-01

Ionic liquids, used in place of traditional gate dielectric materials, allow for the accumulation of very high 2D and 3D charge densities (>10^14 #/cm^2 and >10^21 #/cm^3 respectively) at low voltage (<5 V). Here we study the electrochemical gating of the benchmark semiconducting polymer poly(3-hexylthiophene) (P3HT) with the ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([EMI][FAP]). The electrochemical stability of [EMI][FAP] allowed the reproducible accumulation of 2 x 10^21 hole/cm^3, or one hole (and stabilizing anion dopant) per every two thiophene rings. A finite potential/charge density window of high electrical conductivity was observed with hole mobility reaching a maximum of 0.86 cm^2/V s at 0.12 holes per thiophene ring. Displacement current measurements, collected versus a calibrated reference electrode, allowed the mapping of the highly structured and extremely broad density of states of the P3HT/[EMI][FAP] doped composite. Variable temperature and charge density hole transport measurements revealed hole transport to be thermally activated and non-monotonic, displaying a activation energy minimum of ˜20 meV in the region of maximum conductivity and hole mobility. To show the generality of this result, the study was extended to an additional four ionic liquids and three semiconducting polymers.

Identification of metal s states in Sn-doped anatase by polarisation dependent hard X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Regoutz, A.; Oropeza, F. E.; Poll, C. G.; Payne, D. J.; Palgrave, R. G.; Panaccione, G.; Borgatti, F.; Agrestini, S.; Utsumi, Y.; Tsuei, K. D.; Liao, Y. F.; Watson, G. W.; Egdell, R. G.

2016-03-01

The contributions of Sn 5s and Ti 4s states to the valence band electronic structure of Sn-doped anatase have been identified by hard X-ray photoelectron spectroscopy. The metal s state intensity is strongly enhanced relative to that of O 2p states at high photon energies due to matrix element effects when electrons are detected parallel to the direction of the polarisation vector of the synchrotron beam, but becomes negligible in the perpendicular direction. The experimental spectra in both polarisations are in good agreement with cross section and asymmetry parameter weighted partial densities of states derived from density functional theory calculations.

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.

Local epitaxial growth of ZrO2 on Ge (100) substrates by atomic layer epitaxy

NASA Astrophysics Data System (ADS)

Kim, Hyoungsub; Chui, Chi On; Saraswat, Krishna C.; McIntyre, Paul C.

2003-09-01

High-k dielectric deposition processes for gate dielectric preparation on Si surfaces usually result in the unavoidable and uncontrolled formation of a thin interfacial oxide layer. Atomic layer deposition of ˜55-Å ZrO2 film on a Ge (100) substrate using ZrCl4 and H2O at 300 °C was found to produce local epitaxial growth [(001) Ge//(001) ZrO2 and [100] Ge//[100] ZrO2] without a distinct interfacial layer, unlike the situation observed when ZrO2 is deposited using the same method on Si. Relatively large lattice mismatch (˜10%) between ZrO2 and Ge produced a high areal density of interfacial misfit dislocations. Large hysteresis (>200 mV) and high frequency dispersion were observed in capacitance-voltage measurements due to the high density of interface states. However, a low leakage current density, comparable to values obtained on Si substrates, was observed with the same capacitance density regardless of the high defect density.

Nano-Magnets and Additive Manufacturing for Electric Motors

NASA Technical Reports Server (NTRS)

Misra, Ajay K.

2014-01-01

High power density is required for application of electric motors in hybrid electric propulsion. Potential path to achieve high power density in electric motors include advanced materials, lightweight thermal management, lightweight structural concepts, high power density power electronics, and advanced manufacturing. This presentation will focus on two key technologies for achieving high power density, advanced magnets and additive manufacturing. The maximum energy product in current magnets is reaching their theoretical limits as a result of material and process improvements. Future improvements in the maximum energy product for magnets can be achieved through development of nanocomposite magnets combining the hard magnetic phase and soft magnetic phase at the nanoscale level. The presentation will provide an overview of the current state of development for nanocomposite magnets and the future path for doubling the maximum energy product. The other part of the presentation will focus on the role of additive manufacturing in fabrication of high power density electric motors. The presentation will highlight the potential opportunities for applying additive manufacturing to fabricate electric motors.

High-throughput engineering of a mammalian genome reveals building principles of methylation states at CG rich regions.

PubMed

Krebs, Arnaud R; Dessus-Babus, Sophie; Burger, Lukas; Schübeler, Dirk

2014-09-26

The majority of mammalian promoters are CpG islands; regions of high CG density that require protection from DNA methylation to be functional. Importantly, how sequence architecture mediates this unmethylated state remains unclear. To address this question in a comprehensive manner, we developed a method to interrogate methylation states of hundreds of sequence variants inserted at the same genomic site in mouse embryonic stem cells. Using this assay, we were able to quantify the contribution of various sequence motifs towards the resulting DNA methylation state. Modeling of this comprehensive dataset revealed that CG density alone is a minor determinant of their unmethylated state. Instead, these data argue for a principal role for transcription factor binding sites, a prediction confirmed by testing synthetic mutant libraries. Taken together, these findings establish the hierarchy between the two cis-encoded mechanisms that define the DNA methylation state and thus the transcriptional competence of CpG islands.

Modelling charge transfer reactions with the frozen density embedding formalism

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

Pavanello, Michele; Neugebauer, Johannes

2011-12-21

The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two {pi}-stacked nucleobase dimers of B-DNA: 5{sup '}-GG-3{sup '} and 5{sup '}-GT-3{sup '}. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionalsmore » are used the electronic couplings are grossly overestimated.« less

State-dependent alterations of lipid profiles in patients with bipolar disorder.

PubMed

Huang, Yu-Jui; Tsai, Shang-Ying; Chung, Kuo-Hsuan; Chen, Pao-Huan; Huang, Shou-Hung; Kuo, Chian-Jue

2018-07-01

Objective Serum lipid levels may be associated with the affective severity of bipolar disorder, but data on lipid profiles in Asian patients with bipolar disorder and the lipid alterations in different states of opposite polarities are scant. We investigated the lipid profiles of patients in the acute affective, partial, and full remission state in bipolar mania and depression. Methods The physically healthy patients aged between 18 and 45 years with bipolar I disorder, as well as age-matched healthy normal controls were enrolled. We compared the fasting blood levels of glucose, cholesterol, triglyceride, low-density lipoprotein, and high-density lipoprotein of manic or depressed patients in the acute phase and subsequent partial and full remission with those of their normal controls. Results A total of 32 bipolar manic patients (12 women and 20 men), 32 bipolar depressed participants (18 women and 14 men), and 64 healthy control participants took part in this study. The mean cholesterol level in acute mania was significantly lower than that in acute depression (p < 0.025). The lowest rate of dyslipidemia (hypertriglyceridemia or low high-density lipoprotein cholesterol) was observed in acute bipolar mania. Conclusion Circulating lipid profiles may be easily affected by affective states. The acute manic state may be accompanied by state-dependent lower cholesterol and triglyceride levels relative to that in other mood states.

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

Fattoyev, F. J.; Piekarewicz, J.

The sensitivity of the stellar moment of inertia to the neutron-star matter equation of state is examined using accurately calibrated relativistic mean-field models. We probe this sensitivity by tuning both the density dependence of the symmetry energy and the high-density component of the equation of state, properties that are at present poorly constrained by existing laboratory data. Particularly attractive is the study of the fraction of the moment of inertia contained in the solid crust. Analytic treatments of the crustal moment of inertia reveal a high sensitivity to the transition pressure at the core-crust interface. This may suggest the existencemore » of a strong correlation between the density dependence of the symmetry energy and the crustal moment of inertia. However, no correlation was found. We conclude that constraining the density dependence of the symmetry energy - through, for example, the measurement of the neutron skin thickness in {sup 208}Pb - will place no significant bound on either the transition pressure or the crustal moment of inertia.« less

Suicide Among Military Personnel and Veterans Aged 18-35 Years by County-16 States.

PubMed

Logan, Joseph E; Fowler, Katherine A; Patel, Nimeshkumar P; Holland, Kristin M

2016-11-01

Suicide among military personnel and young Veterans remains a health concern. This study examined stateside distribution of suicides by U.S. county to help focus prevention efforts. Using 2005-2012 National Violent Death Reporting System data from 16 states (963 counties, or county-equivalent entities), this study mapped the county-level distribution of suicides among current military and Veteran decedents aged 18-35 years. This study also compared incident circumstances of death between decedents in high-density counties (i.e., counties with the highest proportion of deaths) versus those in medium/low-density counties to better understand the precipitators of suicide in counties most affected. Last, this study identified potential military and Veteran Health Administration intervention sites. All analyses were conducted in 2015. Within the National Violent Death Reporting System participating states, an estimated 262 (33%) current military suicides occurred in just ten (1.0%) counties, and 391 (33%) Veteran suicides occurred in 33 (3.4%) counties. Mental health and intimate partner problems were common precipitating circumstances, and some circumstances differed between cases in high- versus those in medium/low-density counties. Multiple potential intervention sites were identified in high-density counties. These findings suggest that military and Veteran suicides are concentrated in a small number of counties. Increased efforts at these locales might be beneficial. Published by Elsevier Inc.

Density Functional Methods for Shock Physics and High Energy Density Science

NASA Astrophysics Data System (ADS)

Desjarlais, Michael

2017-06-01

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

Diversity of charge orderings in correlated systems

NASA Astrophysics Data System (ADS)

Kapcia, Konrad Jerzy; Barański, Jan; Ptok, Andrzej

2017-10-01

The phenomenon associated with inhomogeneous distribution of electron density is known as a charge ordering. In this work, we study the zero-bandwidth limit of the extended Hubbard model, which can be considered as a simple effective model of charge ordered insulators. It consists of the on-site interaction U and the intersite density-density interactions W1 and W2 between nearest neighbors and next-nearest neighbors, respectively. We derived the exact ground state diagrams for different lattice dimensionalities and discuss effects of small finite temperatures in the limit of high dimensions. In particular, we estimated the critical interactions for which new ordered phases emerge (laminar or stripe and four-sublattice-type). Our analysis show that the ground state of the model is highly degenerated. One of the most intriguing finding is that the nonzero temperature removes these degenerations.

Inelastic Collisions of N2, H2, and H2+He Mixtures in Supersonic Jets by Raman Spectroscopy

NASA Astrophysics Data System (ADS)

Fernández, J. M.; Fonfría, J. P.; Ramos, A.; Tejeda, G.; Montero, S.; Thibault, F.

2008-12-01

We present a detailed study of inelastic collisions at low temperature in several supersonic jets of N2, H2, and H2+He mixtures using different nozzles and stagnation conditions. Absolute number density and rotational population data of unprecedented accuracy are measured along the jet axis by Raman spectroscopy with high spatial resolution (<5 μm) and high-sensitivity (<1 photon/sec). The experimental data are interpreted by means of a master equation describing the time evolution of the rotational populations in terms of the state-to-state rate coefficients derived from high-level quantum calculations. This combination of experimental and calculated data leads to a detailed understanding of the underlying physics, consistent with the assumed isentropic behaviour. The breakdown of rotational-translational thermal equilibrium, and its space-time evolution along the jet axis are accounted for by the microscopic (state-to-state rate coefficients) and macroscopic (flow velocity, number density, temperatures) physical quantities. A highly consistent picture, free from any additional parameters, bridges this way the microsopic and macroscopic approaches to fluid dynamics along the jet axis.

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

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

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

2015-04-28

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

High-Density Liquid-State Machine Circuitry for Time-Series Forecasting.

PubMed

Rosselló, Josep L; Alomar, Miquel L; Morro, Antoni; Oliver, Antoni; Canals, Vincent

2016-08-01

Spiking neural networks (SNN) are the last neural network generation that try to mimic the real behavior of biological neurons. Although most research in this area is done through software applications, it is in hardware implementations in which the intrinsic parallelism of these computing systems are more efficiently exploited. Liquid state machines (LSM) have arisen as a strategic technique to implement recurrent designs of SNN with a simple learning methodology. In this work, we show a new low-cost methodology to implement high-density LSM by using Boolean gates. The proposed method is based on the use of probabilistic computing concepts to reduce hardware requirements, thus considerably increasing the neuron count per chip. The result is a highly functional system that is applied to high-speed time series forecasting.

High-efficiency tomographic reconstruction of quantum states by quantum nondemolition measurements

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

Huang, J. S.; Centre for Quantum Technologies and Department of Physics, National University of Singapore, 3 Science Drive 2, Singapore 117542; Wei, L. F.

We propose a high-efficiency scheme to tomographically reconstruct an unknown quantum state by using a series of quantum nondemolition (QND) measurements. The proposed QND measurements of the qubits are implemented by probing the stationary transmissions through a driven dispersively coupled resonator. It is shown that only one kind of QND measurement is sufficient to determine all the diagonal elements of the density matrix of the detected quantum state. The remaining nondiagonal elements can be similarly determined by transferring them to the diagonal locations after a series of unitary operations. Compared with the tomographic reconstructions based on the usual destructive projectivemore » measurements (wherein one such measurement can determine only one diagonal element of the density matrix), the present reconstructive approach exhibits significantly high efficiency. Specifically, our generic proposal is demonstrated by the experimental circuit quantum electrodynamics systems with a few Josephson charge qubits.« less

Structural and thermodynamic properties of WB at high pressure and high temperature

NASA Astrophysics Data System (ADS)

Chen, Hai-Hua; Bi, Yan; Cheng, Yan; Ji, Guangfu; Peng, Fang; Hu, Yan-Fei

2012-12-01

The structure parameters and electronic structures of tungsten boride (WB) have been investigated by using the density functional theory (DFT). Our calculating results display the bulk modulus of WB are 352±2 GPa (K‧0=4.29) and 322±3 GPa (K‧0=4.21) by LDA and GGA methods, respectively. We have analyzed the probable reason of the discrepancy from the bulk modulus between theoretical and experimental results. The compression behavior of the unit cell axes is anisotropic, with the c-axis being more compressible than the a-axis. By analyzing the bond lengths information, it also demonstrated that WB has a lower compressibility at high pressure. From the partial densities of states (PDOS) of WB, we found that the Fermi lever is mostly contributed by the d states of W atom and p states of B atom and that the contributions from the s, p states of W atom and s states of B atom are small. Moreover, using the Gibbs 2 program, the thermodynamic properties of WB are obtained in a wide temperature range at high pressure for the first time in this work.

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

PubMed

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

URu2Si2 under intense magnetic fields: From hidden order to spin-density wave

NASA Astrophysics Data System (ADS)

Knafo, W.; Aoki, D.; Scheerer, G. W.; Duc, F.; Bourdarot, F.; Kuwahara, K.; Nojiri, H.; Regnault, L.-P.; Flouquet, J.

2018-05-01

A review of recent state-of-the-art pulsed field experiments performed on URu2Si2 under a magnetic field applied along its easy magnetic axis c is given. Resistivity, magnetization, magnetic susceptibility, Shubnikov-de Haas, and neutron diffraction experiments are presented, permitting to emphasize the relationship between Fermi surface reconstructions, the destruction of the hidden-order and the appearance of a spin-density wave state in a high magnetic field.

Equation of state and shock compression of warm dense sodium—A first-principles study

DOE PAGES

Zhang, Shuai; Driver, Kevin P.; Soubiran, Francois; ...

2017-02-21

As one of the simple alkali metals, sodium has been of fundamental interest for shock physics experiments, but knowledge of its equation of state (EOS) in hot, dense regimes is not well known. By combining path integral Monte Carlo (PIMC) results for partially ionized states at high temperatures and density functional theory molecular dynamics (DFT-MD) results at lower temperatures, we have constructed a coherent equation of state for sodium over a wide density-temperature range of 1.93-11.60 g/cm 3 and 10 3–1.29×10 8 K. We find that a localized, Hartree-Fock nodal structure in PIMC yields pressures and internal energies that aremore » consistent with DFT-MD at intermediate temperatures of 2×10 6 K. Since PIMC and DFT-MD provide a first-principles treatment of electron shell and excitation effects, we are able to identify two compression maxima in the shock Hugoniot curve corresponding to K-shell and L-shell ionization. Our Hugoniot curves provide a benchmark for widely used EOS models: SESAME, LEOS, and Purgatorio. Due to the low ambient density, sodium has an unusually high first compression maximum along the shock Hugoniot curve. At beyond 10 7 K, we show that the radiation effect leads to very high compression along the Hugoniot curve, surpassing relativistic corrections, and observe an increasing deviation of the shock and particle velocities from a linear relation. Here, we also compute the temperature-density dependence of thermal and pressure ionization processes.« less

Modeling shock-driven reaction in low density PMDI foam

NASA Astrophysics Data System (ADS)

Brundage, Aaron; Alexander, C. Scott; Reinhart, William; Peterson, David

Shock experiments on low density polyurethane foams reveal evidence of reaction at low impact pressures. However, these reaction thresholds are not evident over the low pressures reported for historical Hugoniot data of highly distended polyurethane at densities below 0.1 g/cc. To fill this gap, impact data given in a companion paper for polymethylene diisocyanate (PMDI) foam with a density of 0.087 g/cc were acquired for model validation. An equation of state (EOS) was developed to predict the shock response of these highly distended materials over the full range of impact conditions representing compaction of the inert material, low-pressure decomposition, and compression of the reaction products. A tabular SESAME EOS of the reaction products was generated using the JCZS database in the TIGER equilibrium code. In particular, the Arrhenius Burn EOS, a two-state model which transitions from an unreacted to a reacted state using single step Arrhenius kinetics, as implemented in the shock physics code CTH, was modified to include a statistical distribution of states. Hence, a single EOS is presented that predicts the onset to reaction due to shock loading in PMDI-based polyurethane foams. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under Contract DE-AC04-94AL85000.

Bipolaronic charge density waves, polaronic spin density waves and high Tc superconductivity

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

Aubry, S.

1992-01-01

At large enough electron phonon coupling, the existence of bipolaronic, polaronic and mixed states is rigorously proven for the adiabatic Holstein model at any dimension and any band filling. The ground-state is one of them which then prove the existence of insulating Bipolaronic Charge Density Waves. The role of the quantum lattice fluctuations is analysed and found to be neglegible in that regime but to become essential in case of phonon softening then favoring the occurence of superconductivity. When a strong Hubbard term is also present, the bipolarons break into polorons and the ground state is expected to be amore » polaronic spin density wave. If the repulsive Hubbard term is comparable to the electron-phonon coupling, the energy for breaking a bipoloron into two polarons can become small and we get instead of these two degenerate structures, a pait of polarons bounded by a spin resonance which we call spin resonant bipolaron''. This resonant bipolaron is still strongly bound, but the role of the quantum lattice fluctuations becomes now very important and yields a sharp broadening of the bandwidth of this resonant bipolarona. Thus, the strong quantum character of these resonant bipolarons could prevent their localization into real space structures which could be insulating bipolaronic CDWs or polaronic SDWS, then favoring the formation of a superconducting coherent state with a possible high {Tc}.« less

Bipolaronic charge density waves, polaronic spin density waves and high {Tc} superconductivity

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

Aubry, S.

1992-09-01

At large enough electron phonon coupling, the existence of bipolaronic, polaronic and mixed states is rigorously proven for the adiabatic Holstein model at any dimension and any band filling. The ground-state is one of them which then prove the existence of insulating Bipolaronic Charge Density Waves. The role of the quantum lattice fluctuations is analysed and found to be neglegible in that regime but to become essential in case of phonon softening then favoring the occurence of superconductivity. When a strong Hubbard term is also present, the bipolarons break into polorons and the ground state is expected to be amore » polaronic spin density wave. If the repulsive Hubbard term is comparable to the electron-phonon coupling, the energy for breaking a bipoloron into two polarons can become small and we get instead of these two degenerate structures, a pait of polarons bounded by a spin resonance which we call ``spin resonant bipolaron``. This resonant bipolaron is still strongly bound, but the role of the quantum lattice fluctuations becomes now very important and yields a sharp broadening of the bandwidth of this resonant bipolarona. Thus, the strong quantum character of these resonant bipolarons could prevent their localization into real space structures which could be insulating bipolaronic CDWs or polaronic SDWS, then favoring the formation of a superconducting coherent state with a possible high {Tc}.« less

Facile template-free synthesis of vertically aligned polypyrrole nanosheets on nickel foams for flexible all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Yang, Xiangwen; Lin, Zhixing; Zheng, Jingxu; Huang, Yingjuan; Chen, Bin; Mai, Yiyong; Feng, Xinliang

2016-04-01

This paper reports a novel and remarkably facile approach towards vertically aligned nanosheets on three-dimensional (3D) Ni foams. Conducting polypyrrole (PPy) sheets were grown on Ni foam through the volatilization of the environmentally friendly solvent from an ethanol-water solution of pyrrole (Py), followed by the polymerization of the coated Py in ammonium persulfate (APS) solution. The PPy-decorated Ni foams and commercial activated carbon (AC) modified Ni foams were employed as the two electrodes for the assembly of flexible all-solid-state asymmetric supercapacitors. The sheet-like structure of PPy and the macroporous feature of the Ni foam, which render large electrode-electrolyte interfaces, resulted in good capacitive performance of the supercapacitors. Moreover, a high energy density of ca. 14 Wh kg-1 and a high power density of 6.2 kW kg-1 were achieved for the all-solid-state asymmetric supercapacitors due to the wide cell voltage window.This paper reports a novel and remarkably facile approach towards vertically aligned nanosheets on three-dimensional (3D) Ni foams. Conducting polypyrrole (PPy) sheets were grown on Ni foam through the volatilization of the environmentally friendly solvent from an ethanol-water solution of pyrrole (Py), followed by the polymerization of the coated Py in ammonium persulfate (APS) solution. The PPy-decorated Ni foams and commercial activated carbon (AC) modified Ni foams were employed as the two electrodes for the assembly of flexible all-solid-state asymmetric supercapacitors. The sheet-like structure of PPy and the macroporous feature of the Ni foam, which render large electrode-electrolyte interfaces, resulted in good capacitive performance of the supercapacitors. Moreover, a high energy density of ca. 14 Wh kg-1 and a high power density of 6.2 kW kg-1 were achieved for the all-solid-state asymmetric supercapacitors due to the wide cell voltage window. Electronic supplementary information (ESI) available: ESI figures. See DOI: 10.1039/c6nr00468g

Three-Dimensional, Solid-State Mixed Electron-Ion Conductive Framework for Lithium Metal Anode.

PubMed

Xu, Shaomao; McOwen, Dennis W; Wang, Chengwei; Zhang, Lei; Luo, Wei; Chen, Chaoji; Li, Yiju; Gong, Yunhui; Dai, Jiaqi; Kuang, Yudi; Yang, Chunpeng; Hamann, Tanner R; Wachsman, Eric D; Hu, Liangbing

2018-06-13

Solid-state electrolytes (SSEs) have been widely considered as enabling materials for the practical application of lithium metal anodes. However, many problems inhibit the widespread application of solid state batteries, including the growth of lithium dendrites, high interfacial resistance, and the inability to operate at high current density. In this study, we report a three-dimensional (3D) mixed electron/ion conducting framework (3D-MCF) based on a porous-dense-porous trilayer garnet electrolyte structure created via tape casting to facilitate the use of a 3D solid state lithium metal anode. The 3D-MCF was achieved by a conformal coating of carbon nanotubes (CNTs) on the porous garnet structure, creating a composite mixed electron/ion conductor that acts as a 3D host for the lithium metal. The lithium metal was introduced into the 3D-MCF via slow electrochemical deposition, forming a 3D lithium metal anode. The slow lithiation leads to improved contact between the lithium metal anode and garnet electrolyte, resulting in a low resistance of 25 Ω cm 2 . Additionally, due to the continuous CNT coating and its seamless contact with the garnet we observed highly uniform lithium deposition behavior in the porous garnet structure. With the same local current density, the high surface area of the porous garnet framework leads to a higher overall areal current density for stable lithium deposition. An elevated current density of 1 mA/cm 2 based on the geometric area of the cell was demonstrated for continuous lithium cycling in symmetric lithium cells. For battery operation of the trilayer structure, the lithium can be cycled between the 3D-MCF on one side and the cathode infused into the porous structure on the opposite side. The 3D-MCF created by the porous garnet structure and conformal CNT coating provides a promising direction toward new designs in solid-state lithium metal batteries.

Wearable supercapacitors on polyethylene terephthalate fabrics with good wash fastness and high flexibility

NASA Astrophysics Data System (ADS)

Wang, Guixia; Babaahmadi, Vahid; He, Nanfei; Liu, Yixin; Pan, Qin; Montazer, Majid; Gao, Wei

2017-11-01

All solid-state micro-supercapacitors (MSC) have emerged as attractive energy-storage units for portable and wearable electronics. Here, we describe a textile-based solid-state MSC via laser scribing of graphene oxide (GO) coatings on a flexible polyethylene terephthalate (PET) fabric. The laser-scribed graphene oxide layers (LGO) possess three-dimensionally porous structure suitable for electrochemical-double-layer formation. To improve the wash fastness and the flexibility of the as-prepared MSCs, glutaraldehyde (GA) was employed to crosslink the GO layers and PVA-gel electrolyte onto the PET fabric. The resultant all solid-state MSCs exhibited excellent flexibility, high areal specific capacitance (756 μF·cm-2 at 20 mV·s-1), and good rate capability when subject to bending and laundering. Furthermore, the MSC device showed a high power density of about 1.4 W·cm-3 and an energy density of 5.3 × 10-5 Wh·cm-3, and retained 98.3% of its initial capacitance after 1000 cycles at a current density of 0.5 mA·cm-2. This work is the first demonstration of in-plane MSCs on PET fabric surfaces with enhanced durability and flexibility.

Octonary resistance states in La 0.7Sr 0.3MnO 3/BaTiO 3/La 0.7Sr 0.3MnO 3 multiferroic tunnel junctions

DOE PAGES

Yue -Wei Yin; Tao, Jing; Huang, Wei -Chuan; ...

2015-10-06

General drawbacks of current electronic/spintronic devices are high power consumption and low density storage. A multiferroic tunnel junction (MFTJ), employing a ferroelectric barrier layer sandwiched between two ferromagnetic layers, presents four resistance states in a single device and therefore provides an alternative way to achieve high density memories. Here, an MFTJ device with eight nonvolatile resistance states by further integrating the design of noncollinear magnetization alignments between the ferromagnetic layers is demonstrated. Through the angle-resolved tunneling magnetoresistance investigations on La 0.7Sr 0.3MnO 3/BaTiO 3/La 0.7Sr 0.3MnO 3 junctions, it is found that, besides collinear parallel/antiparallel magnetic configurations, the MFTJ showsmore » at least two other stable noncollinear (45° and 90°) magnetic configurations. As a result, combining the tunneling electroresistance effect caused by the ferroelectricity reversal of the BaTiO 3 barrier, an octonary memory device is obtained, representing potential applications in high density nonvolatile storage in the future.« less

Ground State Resonance Structure of Some Typical High Explosives Calculated by Density Functional Theory

DTIC Science & Technology

2011-03-04

direct relationships between calculated quantities obtained by DFT and the “conveniently measurable” quantities α and rn...VCH Verlag, Weinheim, 2004). [11] A. D. Becke, “Density- funtional Thermochemistry. III. The Role of Exact Exchange”, J. Chem. Phys. 98, 5648-5652

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

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

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in; Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat; Joshi, Mitesh

2016-05-06

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

Electronic and optical properties of Fe2SiO4 under pressure effect: ab initio study

NASA Astrophysics Data System (ADS)

Xiao, Lingping; Li, Xiaobin; Yang, Xue

2018-05-01

We report first-principles studies the structural, electronic, and optical properties of the Fe2SiO4 fayalite in orthorhombic structure, including pressure dependence of structural parameters, band structures, density of states, and optical constants up to 30 GPa. The calculated results indicate that the linear compressibility along b axis is significantly higher than a and c axes, which is in agreement with earlier work. Meanwhile, the pressure dependence of the electronic band structure, density of states and partial density of states of Fe2SiO4 fayalite up to 30 GPa were presented. Moreover, the evolution of the dielectric function, absorption coefficient (α(ω)), reflectivity (R(ω)), and the real part of the refractive index (n(ω)) at high pressure are also presented.

Angular studies of the magnetoresistance in the density wave state of the quasi-two-dimensional purple bronze KMo6O17

NASA Astrophysics Data System (ADS)

Guyot, H.; Dumas, J.; Kartsovnik, M. V.; Marcus, J.; Schlenker, C.; Sheikin, I.; Vignolles, D.

2007-07-01

The purple molybdenum bronze KMo6O17 is a quasi-two-dimensional compound which shows a Peierls transition towards a commensurate metallic charge density wave (CDW) state. High magnetic field measurements have revealed several transitions at low temperature and have provided an unusual phase diagram “temperature-magnetic field”. Angular studies of the interlayer magnetoresistance are now reported. The results suggest that the orbital coupling of the magnetic field to the CDW is the most likely mechanism for the field induced transitions. The angular dependence of the magnetoresistance is discussed on the basis of a warped quasi-cylindrical Fermi surface and provides information on the geometry of the Fermi surface in the low temperature density wave state.

Automated extraction of natural drainage density patterns for the conterminous United States through high performance computing

USGS Publications Warehouse

Stanislawski, Larry V.; Falgout, Jeff T.; Buttenfield, Barbara P.

2015-01-01

Hydrographic networks form an important data foundation for cartographic base mapping and for hydrologic analysis. Drainage density patterns for these networks can be derived to characterize local landscape, bedrock and climate conditions, and further inform hydrologic and geomorphological analysis by indicating areas where too few headwater channels have been extracted. But natural drainage density patterns are not consistently available in existing hydrographic data for the United States because compilation and capture criteria historically varied, along with climate, during the period of data collection over the various terrain types throughout the country. This paper demonstrates an automated workflow that is being tested in a high-performance computing environment by the U.S. Geological Survey (USGS) to map natural drainage density patterns at the 1:24,000-scale (24K) for the conterminous United States. Hydrographic network drainage patterns may be extracted from elevation data to guide corrections for existing hydrographic network data. The paper describes three stages in this workflow including data pre-processing, natural channel extraction, and generation of drainage density patterns from extracted channels. The workflow is concurrently implemented by executing procedures on multiple subbasin watersheds within the U.S. National Hydrography Dataset (NHD). Pre-processing defines parameters that are needed for the extraction process. Extraction proceeds in standard fashion: filling sinks, developing flow direction and weighted flow accumulation rasters. Drainage channels with assigned Strahler stream order are extracted within a subbasin and simplified. Drainage density patterns are then estimated with 100-meter resolution and subsequently smoothed with a low-pass filter. The extraction process is found to be of better quality in higher slope terrains. Concurrent processing through the high performance computing environment is shown to facilitate and refine the choice of drainage density extraction parameters and more readily improve extraction procedures than conventional processing.

Excited level populations and excitation kinetics of nonequilibrium ionizing argon discharge plasma of atmospheric pressure

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

Akatsuka, Hiroshi

2009-04-15

Population densities of excited states of argon atoms are theoretically examined for ionizing argon plasma in a state of nonequilibrium under atmospheric pressure from the viewpoint of elementary processes with collisional radiative model. The dependence of excited state populations on the electron and gas temperatures is discussed. Two electron density regimes are found, which are distinguished by the population and depopulation mechanisms for the excited states in problem. When the electron impact excitation frequency for the population or depopulation is lower than the atomic impact one, the electron density of the plasma is considered as low to estimate the populationmore » and depopulation processes. Some remarkable characteristics of population and depopulation mechanisms are found for the low electron density atmospheric plasma, where thermal relaxation by atomic collisions becomes the predominant process within the group of close-energy states in the ionizing plasma of atmospheric pressure, and the excitation temperature is almost the same as the gas temperature. In addition to the collisional relaxation by argon atoms, electron impact excitation from the ground state is also an essential population mechanism. The ratios of population density of the levels pairs, between which exists a large energy gap, include information on the electron collisional kinetics. For high electron density, the effect of atomic collisional relaxation becomes weak. For this case, the excitation mechanism is explained as electron impact ladderlike excitation similar to low-pressure ionizing plasma, since the electron collision becomes the dominant process for the population and depopulation kinetics.« less

Density of high-spin states in38Ar and42Ca

NASA Astrophysics Data System (ADS)

Kern, Th.; Betz, P.; Bitterwolf, E.; Glatz, F.; Röpke, H.

1980-03-01

The γ-decay modes of38Ar levels with E x ≦11,630keV and of42Ca levels with E x ≦10,036keV have been studied using the35Cl( α, pγ) reaction at 16MeV and the39K( α, pγ) reaction at 15.14 MeV, respectively. In both nuclei the number of states with J≧6 exceeds fifty. Weak coupling calculations of the Bansal and French type reproduce the density of high-spin states. The success of the model implies that the excitations of up to four particles from the d 3/2 into the f 7/2 shell play a role in both nuclei. The structure of deformed states was found to be predominantly 4 p/s 6 h in38Ar and 4 p/s 2 h in42Ca, respectively.

State diagram of magnetostatic coupling phase-locked spin-torque oscillators

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

Zhang, Mengwei; Wang, Longze; Wei, Dan, E-mail: weidan@mail.tsinghua.edu.cn

2015-05-07

The state diagram of magnetostatic coupling phase-locked spin torque oscillator (STO) with perpendicular reference layer and planar field generation layer (FGL) is studied by the macrospin model and the micromagnetic model. The state diagrams of current densities are calculated under various external fields. The simulation shows that there are two phase-lock current density regions. In the phase-locked STOs in low current region I, the spin configuration of FGL is uniform; in high current region II, the spin configuration of FGL is highly nonuniform. In addition, the results with different STOs separation L{sub s} are compared, and the coupling between twomore » STOs is largely decreased when L{sub s} is increased from 40 nm to 60 nm.« less

Titanium α-ω phase transformation pathway and a predicted metastable structure

DOE PAGES

Zarkevich, Nickolai A.; Johnson, Duane D.

2016-01-15

A titanium is a highly utilized metal for structural lightweighting and its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Using a proper solid-state nudged elastic band method employing two climbing images combined with density functional theory DFT + U methods for accurate energetics, we detail the pressure-induced α (ductile) to ω (brittle) transformation at the coexistence pressure. We also find two transition states along the minimal-enthalpy path and discover a metastable body-centered orthorhombic structure, with stable phonons, a lower density than the end-point phases, and decreasing stability with increasing pressure.

Development of Fast and Reliable Free-Energy Density Functional Methods for Simulations of Dense Plasmas from Cold- to Hot-Temperature Regimes

NASA Astrophysics Data System (ADS)

Karasiev, V. V.

2017-10-01

Free-energy density functional theory (DFT) is one of the standard tools in high-energy-density physics used to determine the fundamental properties of dense plasmas, especially in cold and warm regimes when quantum effects are essential. DFT is usually implemented via the orbital-dependent Kohn-Sham (KS) procedure. There are two challenges of conventional implementation: (1) KS computational cost becomes prohibitively expensive at high temperatures; and (2) ground-state exchange-correlation (XC) functionals do not take into account the XC thermal effects. This talk will address both challenges and report details of the formal development of new generalized gradient approximation (GGA) XC free-energy functional which bridges low-temperature (ground state) and high-temperature (plasma) limits. Recent progress on development of functionals for orbital-free DFT as a way to address the second challenge will also be discussed. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

Photoelectrochemical information storage using an azobenzene derivative

NASA Astrophysics Data System (ADS)

Liu, Z. F.; Hashimoto, K.; Fujishima, A.

1990-10-01

HIGH-DENSITY information storage is becoming an increasingly important technological objective. The 'heat-mode' storage techniques (in which only the thermal energy of laser light is used in the recording process and hence information usually stored as a physical change of the storage media) that are used in current optical memories are limited by the diffraction properties of light1, and the alternative 'photon-mode' (in which information is stored as a photon-induced chemical change of the storage media) has attracted attention recently for high-density storage. The most promising candidates for realizing this mode seem to be photochro-ism and photochemical hole burning; but these have some intrinsic drawbacks1,2. Here we present a novel 'photon-mode' technique that uses the photoelectrochemical properties of a Langmuir-Blodgett film of an azobenzene derivative. The system can be interconverted photochemically or electrochemically between three chemical states, and this three-state system is shown to provide a potential storage process that allows for ultra-high storage density, multi-function memory and non-destructive information readout.

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

NASA Astrophysics Data System (ADS)

Wilbraham, Liam; Adamo, Carlo; Ciofini, Ilaria

2018-01-01

The computationally assisted, accelerated design of inorganic functional materials often relies on the ability of a given electronic structure method to return the correct electronic ground state of the material in question. Outlining difficulties with current density functionals and wave function-based approaches, we highlight why double hybrid density functionals represent promising candidates for this purpose. In turn, we show that PBE0-DH (and PBE-QIDH) offers a significant improvement over its hybrid parent functional PBE0 [as well as B3LYP* and coupled cluster singles and doubles with perturbative triples (CCSD(T))] when computing spin-state splitting energies, using high-level diffusion Monte Carlo calculations as a reference. We refer to the opposing influence of Hartree-Fock (HF) exchange and MP2, which permits higher levels of HF exchange and a concomitant reduction in electronic density error, as the reason for the improved performance of double-hybrid functionals relative to hybrid functionals. Additionally, using 16 transition metal (Fe and Co) complexes, we show that low-spin states are stabilised by increasing contributions from MP2 within the double hybrid formulation. Furthermore, this stabilisation effect is more prominent for high field strength ligands than low field strength ligands.

High-temperature high-pressure properties of silica from Quantum Monte Carlo and Density Functional Perturbation Theory

NASA Astrophysics Data System (ADS)

Cohen, R. E.; Driver, K.; Wu, Z.; Militzer, B.; Rios, P. L.; Towler, M.; Needs, R.

2009-03-01

We have used diffusion quantum Monte Carlo (DMC) with the CASINO code with thermal free energies from phonons computed using density functional perturbation theory (DFPT) with the ABINIT code to obtain phase transition curves and thermal equations of state of silica phases under pressure. We obtain excellent agreement with experiments for the metastable phase transition from quartz to stishovite. The local density approximation (LDA) incorrectly gives stishovite as the ground state. The generalized gradient approximation (GGA) correctly gives quartz as the ground state, but does worse than LDA for the equations of state. DMC, variational quantum Monte Carlo (VMC), and DFT all give good results for the ferroelastic transition of stishovite to the CaCl2 structure, and LDA or the WC exchange correlation potentials give good results within a given silica phase. The δV and δH from the CaCl2 structure to α-PbO2 is small, giving uncertainly in the theoretical transition pressure. It is interesting that DFT has trouble with silica transitions, although the electronic structures of silica are insulating, simple closed-shell with ionic/covalent bonding. It seems like the errors in DFT are from not precisely giving the ion sizes.

The major results from W7-AS stellarator

NASA Astrophysics Data System (ADS)

Wagner, Friedrich

2002-11-01

W7-AS has terminated operation this summer. In the last phase, W7-AS was equipped with an island divertor using the natural edge islands of the low-shear, n=5 design. NBI heating has been done with co-injection (3 MW), ECRH was successfully extended to high density with the OXB scheme, and ICRH was applied in all standard modes but also in beach wave heating. The island divertor allowed high β and provided excellent exhaust conditions thanks to the accessibility to high densities (ne <= 4 × 10^20 m-3). 3D edge modelling with the EMC3-EIRENE code predicted and explained the absence of the high-recycling regime and the low-density high-temperature momentum losses associated with the prominent role of the cross-field transport. The confinement of W7-AS is determined by two concept dependent features low shear and 3D geometry: τE depends strongly on low-order rationals; in the plasma core the neo-classical bifurcation between ion and electron roots is observed. A distinct difference to tokamaks is the lack of Te - profile resilience. The H-mode operational range is governed by poloidal flow damping. At high density, a further bifurcation appears into a regime characterised by good energy and low impurity confinement (HDH). Because of its appealing features, this regime will be described in detail. The most visible MHD are beam driven global Alfven modes and ELMs. The operational limits are set by NBI power: The balance of heating and edge radiation determines the density limit; the maximal β is limited to 3.1%. The operation at high densities and high β is quiescent and quasi-steady state. The intrinsic stellarator features - steady state and no disruptions - remain close to operational limits. The results of W7-AS confirm the design criteria of W7-X and contribute to establish the stellarator line as independent route to a reactor.

Thermal equation of state of hcp-iron: Constraint on the density deficit of Earth's solid inner core: THERMAL EQUATION OF STATE OF HCP-IRON

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

Fei, Yingwei; Murphy, Caitlin; Shibazaki, Yuki

We conducted high-pressure experiments on hexagonal close packed iron (hcp-Fe) in MgO, NaCl, and Ne pressure-transmitting media and found general agreement among the experimental data at 300 K that yield the best fitted values of the bulk modulus K 0 = 172.7(±1.4) GPa and its pressure derivative K 0'= 4.79(±0.05) for hcp-Fe, using the third-order Birch-Murnaghan equation of state. Using the derived thermal pressures for hcp-Fe up to 100 GPa and 1800 K and previous shockwave Hugoniot data, we developed a thermal equation of state of hcp-Fe. The thermal equation of state of hcp-Fe is further used to calculate themore » densities of iron along adiabatic geotherms to define the density deficit of the inner core, which serves as the basis for developing quantitative composition models of the Earth's inner core. We determine the density deficit at the inner core boundary to be 3.6%, assuming an inner core boundary temperature of 6000 K.« less

Virial Coefficients and Equations of State for Hard Polyhedron Fluids.

PubMed

Irrgang, M Eric; Engel, Michael; Schultz, Andrew J; Kofke, David A; Glotzer, Sharon C

2017-10-24

Hard polyhedra are a natural extension of the hard sphere model for simple fluids, but there is no general scheme for predicting the effect of shape on thermodynamic properties, even in moderate-density fluids. Only the second virial coefficient is known analytically for general convex shapes, so higher-order equations of state have been elusive. Here we investigate high-precision state functions in the fluid phase of 14 representative polyhedra with different assembly behaviors. We discuss historic efforts in analytically approximating virial coefficients up to B 4 and numerically evaluating them to B 8 . Using virial coefficients as inputs, we show the convergence properties for four equations of state for hard convex bodies. In particular, the exponential approximant of Barlow et al. (J. Chem. Phys. 2012, 137, 204102) is found to be useful up to the first ordering transition for most polyhedra. The convergence behavior we explore can guide choices in expending additional resources for improved estimates. Fluids of arbitrary hard convex bodies are too complicated to be described in a general way at high densities, so the high-precision state data we provide can serve as a reference for future work in calculating state data or as a basis for thermodynamic integration.

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

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

Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu

2016-06-21

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

Ultra-High Intensity Magnetic Field Generation in Dense Plasma

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

Fisch, Nathaniel J.

2014-01-08

The main objective of this grant proposal was to explore the efficient generation of intense currents. Whereas the efficient generation of electric current in low-­energy-­density plasma has occupied the attention of the magnetic fusion community for several decades, scant attention has been paid to carrying over to high-­energy-­density plasma the ideas for steady-­state current drive developed for low-­energy-­density plasma, or, for that matter, to inventing new methodologies for generating electric current in high-­energy-­density plasma. What we proposed to do was to identify new mechanisms to accomplish current generation, and to assess the operation, physics, and engineering basis of new formsmore » of current drive in regimes appropriate for new fusion concepts.« less

High current density ion beam obtained by a transition to a highly focused state in extremely low-energy region.

PubMed

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

2015-11-01

A high current density (≈3 mA/cm(2)) hydrogen ion beam source operating in an extremely low-energy region (E(ib) ≈ 150-200 eV) has been realized by using a transition to a highly focused state, where the beam is extracted from the ion source chamber through three concave electrodes with nominal focal lengths of ≈350 mm. The transition occurs when the beam energy exceeds a threshold value between 145 and 170 eV. Low-level hysteresis is observed in the transition when E(ib) is being reduced. The radial profiles of the ion beam current density and the low temperature ion current density can be obtained separately using a Faraday cup with a grid in front. The measured profiles confirm that more than a half of the extracted beam ions reaches the target plate with a good focusing profile with a full width at half maximum of ≈3 cm. Estimation of the particle balances in beam ions, the slow ions, and the electrons indicates the possibility that the secondary electron emission from the target plate and electron impact ionization of hydrogen may play roles as particle sources in this extremely low-energy beam after the compensation of beam ion space charge.

Chemical bonding analysis on amphoteric hydrogen - alkaline earth ammine borohydrides

NASA Astrophysics Data System (ADS)

Kiruthika, S.; Ravindran, P.

2018-04-01

Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having both positive as well as negative oxidation state in a particular compound. Structural analysis suggest that the alkaline earth ammine borohydrides (AABH) with the chemical formula M (BH4)2(NH3)2 (M = Mg, Ca, or Sr) where hydrogen is present in +1 and -1 oxidation states. In order to understand the oxidation states of hydrogen and also the character of chemical bond present in AABH we have made charge density, electron localization function, Born effective charge, Bader effective charge, and density of states analyses using result from the density functional calculations. Our detailed analyses show that hydrogen is in amphoteric behavior with hydrogen closer to boron is in negative oxidation state and that closer to nitrogen is in the positive oxidation state. Due to the presence of finite covalent bonding between the consitutents in AABH the oxidation state of hydrogen is non-interger value. The confirmation of the presence of amphtoric behavior of hydrogen in AABH has implication in hydrogen storage applications.

Estimate of the Coulomb correlation energy in CeAg2Ge2 from inverse photoemission and high resolution photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Banik, Soma; Arya, A.; Bendounan, Azzedine; Maniraj, M.; Thamizhavel, A.; Vobornik, I.; Dhar, S. K.; Deb, S. K.

2014-08-01

The occupied and the unoccupied electronic structure of CeAg2Ge2 single crystal has been studied using high resolution photoemission and inverse photoemission spectroscopy, respectively. High resolution photoemission reveals the clear signature of Ce 4f states in the occupied electronic structure which was not observed clearly in our earlier studies. The Coulomb correlation energy in this system has been determined experimentally from the position of the 4f states above and below the Fermi level. Theoretically, the correlation energy has been determined by using the first principles density functional calculations within the generalized gradient approximations taking into account the strong intra-atomic (on-site) interaction Hubbard Ueff term. The calculated valence band shows minor changes in the spectral shape with increasing Ueff due to the fact that the density of Ce 4f state is narrow in the occupied part and is hybridized with the Ce 5d, Ag 4d and Ge 4p states. On the other hand, substantial changes are observed in the spectral shape of the calculated conduction band with increasing Ueff since the density of Ce 4f state is very large in the unoccupied part, compared to other states. The estimated value of correlation energy for CeAg2Ge2 from the experiment and the theory is ≈ 4.2 eV. The resonant photoemission data are analyzed in the framework of the single-impurity Anderson model which further confirms the presence of the Coulomb correlation energy and small hybridization in this system.

Mechanical, lattice dynamical and electronic properties of CeO2 at high pressure: First-principles studies

NASA Astrophysics Data System (ADS)

Li, Mei; Jia, Huiling; Li, Xueyan; Liu, Xuejie

2016-01-01

The elastic constants (Cij), bulk modulus (B), shear modulus (G) and elastic modulus (E) of cubic fluorite CeO2 under high pressure have been studied using the plane-wave pseudopotential method based on density functional theory. The calculated results show that the mechanical properties (Cij, B, G and E) of CeO2 increase with increasing pressure, and the phase transition of CeO2 occurs beyond the pressure of 130 GPa. From the calculated phonon spectrum using Parlinsk-Li-Kawasoe method, we found that CeO2 appears imaginary frequency at 140 GPa, which indicates phase transition. The energy band, density of states and charge density of CeO2 under high pressure are calculated using GGA+U method. It is found that the high pressure makes the electron delocalization and Ce-O covalent bonding enhanced. As pressure increases, the band gap between O2p and Ce4f states near the Fermi level increases, and CeO2 nonmetallic nature promotes. The present research results in a better understanding of how CeO2 responds to compression.

Quartz and feldspar glasses produced by natural and experimental shock.

NASA Technical Reports Server (NTRS)

Stoeffler, D.; Hornemann, U.

1972-01-01

Refractive index, density, and infrared absorption studies of naturally and experimentally shocked-produced glasses formed from quartz, plagioclase, and alkali-feldspar confirm the existence of two main groups of amorphous forms of the framework silicates: solid-state and liquid-state glasses. These were apparently formed as metastable release products of high-pressure-phases above and below the glass transition temperatures. Solid-state glasses exhibit a series of structural states with increasing disorder caused by increasing shock pressures and temperatures. They gradually merge into the structural state of fused minerals similar to that of synthetic glasses quenched from a melt. Shock-fused alkali feldspars can, however, be distinguished from their laboratory-fused counterparts by infrared absorption and by higher density.

Surface States in the AlxGa1-xN Barrier in AlxGa1-xN/GaN Heterostructures

NASA Astrophysics Data System (ADS)

Liu, Jie; Shen, Bo; Wang, Mao-Jun; Zhou, Yu-Gang; Chen, Dun-Jun; Zhang, Rong; Shi, Yi; Zheng, You-Dou

2004-01-01

Frequency-dependent capacitance-voltage (C-V) measurements have been performed on modulation-doped Al0.22 Ga0.78N/GaN heterostructures to investigate the characteristics of the surface states in the AlxGa1-xN barrier. Numerical fittings based on the experimental data indicate that there are surface states with high density locating on the AlxGa1-xN barrier. The density of the surface states is about 1012 cm-2eV-1, and the time constant is about 1 mus. It is found that an insulating layer (Si3N4) between the metal contact and the surface of AlxGa1-xN can passivate the surface states effectively.

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

PubMed

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

2017-12-19

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

Rangifer management controls a climate-sensitive tundra state transition.

PubMed

Bråthen, Kari Anne; Ravolainen, Virve Tuulia; Stien, Audun; Tveraa, Torkild; Ims, Rolf A

2017-12-01

Rangifer (caribou/reindeer) management has been suggested to mitigate the temperature-driven transition of Arctic tundra into a shrubland state, yet how this happens is uncertain. Here we study this much focused ecosystem state transition in riparian areas, where palatable willows (Salix) are dominant tall shrubs and highly responsive to climate change. For the state transition to take place, small life stages must become tall and abundant. Therefore we predicted that the performance of small life stages (potential recruits) of the tall shrubs were instrumental to the focal transition, where Rangifer managed at high population density would keep the small-stage shrubs in a "browse trap" independent of summer temperature. We used a large-scale quasi-experimental study design that included real management units that spanned a wide range of Rangifer population densities and summer temperatures in order to assess the relative importance of these two driving variables. Ground surveys provided data on density and height of the small shrub life stages, while the distributional limit (shrubline) of established shrublands (the tall shrub life stage) was derived from aerial photographs. Where Rangifer densities were above a threshold of approximately 5 animals/km 2 , we found, in accordance with the expectation of a "browse trap," that the small life stages of shrubs in grasslands were at low height and low abundance. At Rangifer densities below this threshold, the small life stages of shrubs were taller and more abundant indicating Rangifer were no longer in control of the grassland state. For the established shrubland state, we found that the shrubline was at a 100-m lower elevation in the management units where Rangifer had been browsing in summer as opposed to the migratory ranges with no browsing in summer. In both seasonal ranges, the shrubline increased 100 m per 1°C increment in temperature. Our study supports the proposal that Rangifer management within a sustainable range of animal densities can mitigate the much-focused transition from grassland to shrubland in a warming Arctic. © 2017 by the Ecological Society of America.

Reentrant equilibrium disordering in nanoparticle–polymer mixtures

DOE PAGES

Meng, Dong; Kumar, Sanat K.; Grest, Gary S.; ...

2017-01-31

A large body of experimental work has established that athermal colloid/polymer mixtures undergo a sequence of transitions from a disordered fluid state to a colloidal crystal to a second disordered phase with increasing polymer concentration. These transitions are driven by polymer-mediated interparticle attraction, which is a function of both the polymer density and size. It has been posited that the disordered state at high polymer density is a consequence of strong interparticle attractions that kinetically inhibit the formation of the colloidal crystal, i.e., the formation of a non-equilibrium gel phase interferes with crystallization. Here we use molecular dynamics simulations andmore » density functional theory on polymers and nanoparticles (NPs) of comparable size and show that the crystal-disordered phase coexistence at high polymer density for sufficiently long chains corresponds to an equilibrium thermodynamic phase transition. While the crystal is, indeed, stabilized at intermediate polymer density by polymer-induced intercolloid attractions, it is destabilized at higher densities because long chains lose significant configurational entropy when they are forced to occupy all of the crystal voids. Finally, our results are in quantitative agreement with existing experimental data and show that, at least in the nanoparticle limit of sufficiently small colloidal particles, the crystal phase only has a modest range of thermodynamic stability.« less

How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States?

PubMed

Xu, Xuefei; Alecu, I M; Truhlar, Donald G

2011-06-14

We introduce a new database called TSG48 containing 48 transition state geometrical data (in particular, internuclear distances in transition state structures) for 16 main group reactions. The 16 reactions are the 12 reactions in the previously published DBH24 database (which includes hydrogen transfer reactions, heavy-atom transfer reactions, nucleophilic substitution reactions, and association reactions plus one unimolecular isomerization) plus four H-transfer reactions in which a hydrogen atom is abstracted by the methyl or hydroperoxyl radical from the two different positions in methanol. The data in TSG48 include data for four reactions that have previously been treated at a very high level in the literature. These data are used to test and validate methods that are affordable for the entire test suite, and the most accurate of these methods is found to be the multilevel BMC-CCSD method. The data that constitute the TSG48 database are therefore taken to consist of these very high level calculations for the four reactions where they are available and BMC-CCSD calculations for the other 12 reactions. The TSG48 database is used to assess the performance of the eight Minnesota density functionals from the M05-M08 families and 26 other high-performance and popular density functionals for locating transition state geometries. For comparison, the MP2 and QCISD wave function methods have also been tested for transition state geometries. The MC3BB and MC3MPW doubly hybrid functionals and the M08-HX and M06-2X hybrid meta-GGAs are found to have the best performance of all of the density functionals tested. M08-HX is the most highly recommended functional due to the excellent performance for all five subsets of TSG48, as well as having a lower cost when compared to doubly hybrid functionals. The mean absolute errors in transition state internuclear distances associated with breaking and forming bonds as calculated by the B2PLYP, MP2, and B3LYP methods are respectively about 2, 3, and 5 times larger than those calculated by MC3BB and M08-HX.

Land surveys show regional variability of historical fire regimes and dry forest structure of the western United States.

PubMed

Baker, William L; Williams, Mark A

2018-03-01

An understanding of how historical fire and structure in dry forests (ponderosa pine, dry mixed conifer) varied across the western United States remains incomplete. Yet, fire strongly affects ecosystem services, and forest restoration programs are underway. We used General Land Office survey reconstructions from the late 1800s across 11 landscapes covering ~1.9 million ha in four states to analyze spatial variation in fire regimes and forest structure. We first synthesized the state of validation of our methods using 20 modern validations, 53 historical cross-validations, and corroborating evidence. These show our method creates accurate reconstructions with low errors. One independent modern test reported high error, but did not replicate our method and made many calculation errors. Using reconstructed parameters of historical fire regimes and forest structure from our validated methods, forests were found to be non-uniform across the 11 landscapes, but grouped together in three geographical areas. Each had a mixture of fire severities, but dominated by low-severity fire and low median tree density in Arizona, mixed-severity fire and intermediate to high median tree density in Oregon-California, and high-severity fire and intermediate median tree density in Colorado. Programs to restore fire and forest structure could benefit from regional frameworks, rather than one size fits all. © 2018 by the Ecological Society of America.

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

DOE PAGES

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

2015-03-20

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

Using ZIP Code Business Patterns Data to Measure Alcohol Outlet Density

PubMed Central

Matthews, Stephen A.; McCarthy, John D.; Rafail, Patrick S.

2014-01-01

Some states maintain high-quality alcohol outlet databases but quality varies by state, making comprehensive comparative analysis across US communities difficult. This study assesses the adequacy of using ZIP Code Business Patterns (ZIP-BP) data on establishments as estimates of the number of alcohol outlets by ZIP code. Specifically we compare ZIP-BP alcohol outlet counts with high-quality data from state and local records surrounding 44 college campus communities across 10 states plus the District of Columbia. Results show that a composite measure is strongly correlated (R=0.89) with counts of alcohol outlets generated from official state records. Analyses based on Generalized Estimation Equation models show that community and contextual factors have little impact on the concordance between the two data sources. There are also minimal inter-state differences in the level of agreement. To validate the use of a convenient secondary data set (ZIP-BP) it is important to have a high correlation with the more complex, high quality and more costly data product (i.e., datasets based on the acquisition and geocoding of state and local records) and then to clearly demonstrate that the discrepancy between the two to be unrelated to relevant explanatory variables. Thus our overall findings support the adequacy of using a conveniently available data set (ZIP-BP data) to estimate alcohol outlet densities in ZIP code areas in future research. PMID:21411233

Using ZIP code business patterns data to measure alcohol outlet density.

PubMed

Matthews, Stephen A; McCarthy, John D; Rafail, Patrick S

2011-07-01

Some states maintain high-quality alcohol outlet databases but quality varies by state, making comprehensive comparative analysis across US communities difficult. This study assesses the adequacy of using ZIP Code Business Patterns (ZIP-BP) data on establishments as estimates of the number of alcohol outlets by ZIP code. Specifically we compare ZIP-BP alcohol outlet counts with high-quality data from state and local records surrounding 44 college campus communities across 10 states plus the District of Columbia. Results show that a composite measure is strongly correlated (R=0.89) with counts of alcohol outlets generated from official state records. Analyses based on Generalized Estimation Equation models show that community and contextual factors have little impact on the concordance between the two data sources. There are also minimal inter-state differences in the level of agreement. To validate the use of a convenient secondary data set (ZIP-BP) it is important to have a high correlation with the more complex, high quality and more costly data product (i.e., datasets based on the acquisition and geocoding of state and local records) and then to clearly demonstrate that the discrepancy between the two to be unrelated to relevant explanatory variables. Thus our overall findings support the adequacy of using a conveniently available data set (ZIP-BP data) to estimate alcohol outlet densities in ZIP code areas in future research. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nonlocal heat transport and improved target design for x-ray heating studies at x-ray free electron lasers

NASA Astrophysics Data System (ADS)

Hoidn, Oliver; Seidler, Gerald T.

2018-01-01

The extremely high-power densities and short durations of single pulses of x-ray free electron lasers (XFELs) have opened new opportunities in atomic physics, where complex excitation-relaxation chains allow for high ionization states in atomic and molecular systems, and in dense plasma physics, where XFEL heating of solid-density targets can create unique dense states of matter having temperatures on the order of the Fermi energy. We focus here on the latter phenomena, with special emphasis on the problem of optimum target design to achieve high x-ray heating into the warm dense matter (WDM) state. We report fully three-dimensional simulations of the incident x-ray pulse and the resulting multielectron relaxation cascade to model the spatial energy density deposition in multicomponent targets, with particular focus on the effects of nonlocal heat transport due to the motion of high energy photoelectrons and Auger electrons. We find that nanoscale high-Z /low-Z multicomponent targets can give much improved energy density deposition in lower-Z materials, with enhancements reaching a factor of 100. This has three important benefits. First, it greatly enlarges the thermodynamic parameter space in XFEL x-ray heating studies of lower-Z materials. Second, it allows the use of higher probe photon energies, enabling higher-information content x-ray diffraction (XRD) measurements such as in two-color XFEL operations. Third, while this is merely one step toward optimization of x-ray heating target design, the demonstration of the importance of nonlocal heat transport establishes important common ground between XFEL-based x-ray heating studies and more traditional laser plasma methods.

Solid-State High Performance Flexible Supercapacitors Based on Polypyrrole-MnO2-Carbon Fiber Hybrid Structure

NASA Astrophysics Data System (ADS)

Tao, Jiayou; Liu, Nishuang; Ma, Wenzhen; Ding, Longwei; Li, Luying; Su, Jun; Gao, Yihua

2013-07-01

A solid-state flexible supercapacitor (SC) based on organic-inorganic composite structure was fabricated through an ``in situ growth for conductive wrapping'' and an electrode material of polypyrrole (PPy)-MnO2 nanoflakes-carbon fiber (CF) hybrid structure was obtained. The conductive organic material of PPy greatly improved the electrochemical performance of the device. With a high specific capacitance of 69.3 F cm-3 at a discharge current density of 0.1 A cm-3 and an energy density of 6.16 × 10-3 Wh cm-3 at a power density of 0.04 W cm-3, the device can drive a commercial liquid crystal display (LCD) after being charged. The organic-inorganic composite active materials have enormous potential in energy management and the ``in situ growth for conductive wrapping'' method might be generalized to open up new strategies for designing next-generation energy storage devices.

High-Density Signal Interface Electromagnetic Radiation Prediction for Electromagnetic Compatibility Evaluation.

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

Halligan, Matthew

Radiated power calculation approaches for practical scenarios of incomplete high- density interface characterization information and incomplete incident power information are presented. The suggested approaches build upon a method that characterizes power losses through the definition of power loss constant matrices. Potential radiated power estimates include using total power loss information, partial radiated power loss information, worst case analysis, and statistical bounding analysis. A method is also proposed to calculate radiated power when incident power information is not fully known for non-periodic signals at the interface. Incident data signals are modeled from a two-state Markov chain where bit state probabilities aremore » derived. The total spectrum for windowed signals is postulated as the superposition of spectra from individual pulses in a data sequence. Statistical bounding methods are proposed as a basis for the radiated power calculation due to the statistical calculation complexity to find a radiated power probability density function.« less

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.

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

NASA Astrophysics Data System (ADS)

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-01

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

Probing the density of trap states in the middle of the bandgap using ambipolar organic field-effect transistors

NASA Astrophysics Data System (ADS)

Häusermann, Roger; Chauvin, Sophie; Facchetti, Antonio; Chen, Zhihua; Takeya, Jun; Batlogg, Bertram

2018-04-01

The number of trap states in the band gap of organic semiconductors directly influences the charge transport as well as the threshold and turn-on voltage. Direct charge transport measurements have been used until now to probe the trap states rather close to the transport level, whereas their number in the middle of the band gap has been elusive. In this study, we use PDIF-CN2, a well known n-type semiconductor, together with vanadium pentoxide electrodes to build ambipolar field-effect transistors. Employing three different methods, we study the density of trap states in the band gap of the semiconductor. These methods give consistent results, and no pool of defect states was found. Additionally, we show first evidence that the number of trap states close to the transport level is correlated with the number of traps in the middle of the band-gap, meaning that a high number of trap states close to the transport level also implies a high number of trap states in the middle of the band gap. This points to a common origin of the trap states over a wide energy range.

Evidence of a High Density Population of Harvested Leopards in a Montane Environment

PubMed Central

Chase Grey, Julia N.; Kent, Vivien T.; Hill, Russell A.

2013-01-01

Populations of large carnivores can persist in mountainous environments following extensive land use change and the conversion of suitable habitat for agriculture and human habitation in lower lying areas of their range. The significance of these populations is poorly understood, however, and little attention has focussed on why certain mountainous areas can hold high densities of large carnivores and what the conservation implications of such populations might be. Here we use the leopard (Panthera pardus) population in the western Soutpansberg Mountains, South Africa, as a model system and show that montane habitats can support high numbers of leopards. Spatially explicit capture-recapture (SECR) analysis recorded the highest density of leopards reported outside of state-protected areas in sub-Saharan Africa. This density represents a temporally high local abundance of leopards and we explore the explanations for this alongside some of the potential conservation implications. PMID:24349375

Taking Over Control From Highly Automated Vehicles in Complex Traffic Situations: The Role of Traffic Density.

PubMed

Gold, Christian; Körber, Moritz; Lechner, David; Bengler, Klaus

2016-06-01

The aim of this study was to quantify the impact of traffic density and verbal tasks on takeover performance in highly automated driving. In highly automated vehicles, the driver has to occasionally take over vehicle control when approaching system limits. To ensure safety, the ability of the driver to regain control of the driving task under various driving situations and different driver states needs to be quantified. Seventy-two participants experienced takeover situations requiring an evasive maneuver on a three-lane highway with varying traffic density (zero, 10, and 20 vehicles per kilometer). In a between-subjects design, half of the participants were engaged in a verbal 20-Questions Task, representing speaking on the phone while driving in a highly automated vehicle. The presence of traffic in takeover situations led to longer takeover times and worse takeover quality in the form of shorter time to collision and more collisions. The 20-Questions Task did not influence takeover time but seemed to have minor effects on the takeover quality. For the design and evaluation of human-machine interaction in takeover situations of highly automated vehicles, the traffic state seems to play a major role, compared to the driver state, manipulated by the 20-Questions Task. The present results can be used by developers of highly automated systems to appropriately design human-machine interfaces and to assess the driver's time budget for regaining control. © 2016, Human Factors and Ergonomics Society.

Flexible Black-Phosphorus Nanoflake/Carbon Nanotube Composite Paper for High-Performance All-Solid-State Supercapacitors.

PubMed

Yang, Bingchao; Hao, Chunxue; Wen, Fusheng; Wang, Bochong; Mu, Congpu; Xiang, Jianyong; Li, Lei; Xu, Bo; Zhao, Zhisheng; Liu, Zhongyuan; Tian, Yongjun

2017-12-27

We proposed a simple route for fabrication of the flexible BP nanoflake/carbon nanotube (CNT) composite paper as flexible electrodes in all-solid-state supercapacitors. The highly conductive CNTs not only play a role as active materials but also increase conductivity of the hybrid electrode, enhance electrolyte shuttling and prevent the restacking between BP nanoflakes. The fabricated flexible all-solid-state supercapacitor (ASSP) device at the mass proportion of BP/CNTs 1:4 was found to deliver the highest volumetric capacitance of up to 41.1 F/cm 3 at 0.005 V/s, superior to the ASSP based on the bare graphene or BP. The BP/CNTs (1:4) device delivers a rapid charging/discharging up to 500 V/s, which exhibits the characteristic of a high power density of 821.62 W/cm 3 , while having outstanding mechanical flexibility and high cycling stability over 10 000 cycles (91.5% capacitance retained). Moreover the BP/CNTs (1:4) ASSP device still retains large volumetric capacitance (35.7 F/cm 3 at the scan rate of 0.005 V/s) even after 11 months. In addition, the ASSP of BP/CNTs (1:4) exhibits high energy density of 5.71 mWh/cm 3 and high power density of 821.62 W/cm 3 . As indicated in our work, the strategy of assembling stacked-layer composites films will open up novel possibility for realizing BP and CNTs in new-concept thin-film energy storage devices.

Ab-initio study on electronic properties of rocksalt SnAs

NASA Astrophysics Data System (ADS)

Babariya, Bindiya; Vaghela, M. V.; Gajjar, P. N.

2018-05-01

Within the frame work of Local Density Approximation of Exchange and Correlation, ab-initio method of density functional theory with Abinit code is used to compute electronic energy band structure, density of States and charge density of SnAs in rocksalt phase. Our result after optimization for lattice constant agrees with experimental value within 0.59% deviation. The computed electronic energy bands in high symmetry directions Γ→K→X→Γ→L→X→W→L→U shown metallic nature. The lowest band in the electronic band structure is showing band-gap approximately 1.70 eV from next higher band and no crossing between lowest two bands are seen. The density of states revels p-p orbit hybridization between Sn and As atoms. The spherical contour around Sn and As in the charge density plot represent partly ionic and partly covalent bonding. Fermi surface topology is the resultant effect of the single band crossing along L direction at Ef.

Geometrically frustrated trimer-based Mott insulator

NASA Astrophysics Data System (ADS)

Nguyen, Loi T.; Halloran, T.; Xie, Weiwei; Kong, Tai; Broholm, C. L.; Cava, R. J.

2018-05-01

The crystal structure of B a4NbR u3O12 is based on triangular planes of elongated R u3O12 trimers oriented perpendicular to the plane. We report that it is semiconducting, that its Weiss temperature and effective magnetic moment are -155 K and 2.59 μB/f .u . , respectively, and that the magnetic susceptibility and specific-heat data indicate that it exhibits magnetic ordering near 4 K. The presence of a high density of low energy states is evidenced by a substantial Sommerfeld-like T-linear term [ γ =31 (2 ) mJ mo l-1K-2 ] in the specific heat. Electronic-structure calculations reveal that the electronic states at the Fermi energy reside on the R u3O12 trimers and that the calculated density of electronic states is high and continuous around the Fermi energy—in other words density functional theory calculates the material to be a metal. The results imply that B a4NbR u3O12 is a geometrically frustrated trimer-based Mott insulator.

Metabolic syndrome and mammographic density in Mexican women

PubMed Central

Rice, Megan; Biessy, Carine; Lajous, Martin; Bertrand, Kimberly A.; Tamimi, Rulla M.; Torres-Mejía, Gabriela; López-Ridaura, Ruy; Romieu, Isabelle

2014-01-01

Background Metabolic syndrome has been associated with an increased risk of breast cancer; however little is known about the association between metabolic syndrome and percent mammographic density, a strong predictor of breast cancer. Methods We analyzed cross-sectional data from 789 premenopausal and 322 postmenopausal women in the Mexican Teacher's Cohort (ESMaestras). Metabolic syndrome was defined according to the harmonized definition. We measured percent density on mammograms using a computer-assisted thresholding method. Multivariable linear regression was used to estimate the association between density and metabolic syndrome, as well as its components by state (Jalisco, Veracruz) and menopausal status (premenopausal, postmenopausal). Results Among premenopausal women in Jalisco, women with metabolic syndrome had higher percent density compared to those without after adjusting for potential confounders including BMI (difference = 4.76, 95%CI: 1.72, 7.81). Among the metabolic syndrome components, only low high-density lipoprotein levels (<50mg/dl) were associated with significantly higher percent density among premenopausal women in Jalisco (difference=4.62, 95%CI: 1.73, 7.52). Metabolic syndrome was not associated with percent density among premenopausal women in Veracruz (difference=-2.91, 95% CI: -7.19, 1.38), nor among postmenopausal women in either state. Conclusion Metabolic syndrome was associated with higher percent density among premenopausal women in Jalisco, Mexico, but was not associated with percent density among premenopausal women in Veracruz, Mexico or among postmenopausal women in either Jalisco or Veracruz. These findings provide some support for a possible role of metabolic syndrome in mammographic density among premenopausal women; however results were inconsistent across states and require further confirmation in larger studies. PMID:23682074

Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (I): UBLYP, UB3LYP, and UHF calculations

NASA Astrophysics Data System (ADS)

Mitani, Masaki; Mori, Hiroki; Takano, Yu; Yamaki, Daisuke; Yoshioka, Yasunori; Yamaguchi, Kizashi

2000-09-01

Polyradicals comprised of m-phenylene-bridged organic radicals are well known as building blocks of organic ferromagnets, in which radical groups are connected with each other at the meta position in the benzene ring, and the parallel-spin configurations between radical sites are more stabilized than the antiparallel ones. Topological rules for spin alignments enable us to design organic high-spin dendrimers and polymers with the ferromagnetic ground states by linking various radical species through an m-phenylene unit. However, no systematic ab initio treatment of such spin dendrimers and magnetic polymers has been reported until now, though experimental studies on these materials have been performed extensively in the past ten years. As a first step to examine the possibilities of ferromagnetic dendrimers and polymers constructed of m-phenylene units with organic radicals, we report density functional and molecular orbital calculations of six m-phenylene biradical units with radical substituents and polycarbenes linked with an m-phenylene-type network. The relative stability between the spin states and spin density population are estimated by BLYP or B3LYP and Hartree-Fock calculations in order to clarify their utility for constructions of large spin denderimers and periodic magnetic polymers, which are final targets in this series of papers. It is shown that neutral polyradicals with an m-phenylene bridge are predicted as high-spin ground-state molecules by the computations, while m-phenylene-bridged ion-radical species formed by doping may have the low-spin ground states if zwitterionic configurations play significant roles to stabilize low-spin states. Ab initio computations also show an important role of conformations of polyradicals for stabilization of their high-spin states. The computational results are applied to molecular design of high-spin dendrimers and polymers. Implications of them are also discussed in relation to recent experimental results for high-spin organic molecules.

“Nodal Gap” induced by the incommensurate diagonal spin density modulation in underdoped high- T c superconductors

DOE PAGES

Zhou, Tao; Gao, Yi; Zhu, Jian -Xin

2015-03-07

Recenmore » tly it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the d -wave nodal lines (nodal gap) contrasts the common understanding of the d -wave pairing symmetry, which challenges the present theories for the high- T c superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high- T c superconductors.« less

Self-assembly formation of Bi-functional Co3O4/MnO2-CNTs hybrid catalysts for achieving both high energy/power density and cyclic ability of rechargeable zinc-air battery

PubMed Central

Xu, Nengneng; Liu, Yuyu; Zhang, Xia; Li, Xuemei; Li, Aijun; Qiao, Jinli; Zhang, Jiujun

2016-01-01

α-MnO2 nanotubes-supported Co3O4 (Co3O4/MnO2) and its carbon nanotubes (CNTs)-hybrids (Co3O4/MnO2-CNTs) have been successfully developed through a facile two-pot precipitation reaction and hydrothermal process, which exhibit the superior bi-functional catalytic activity for both ORR and OER. The high performance is believed to be induced by the hybrid effect among MnO2 nanotubes, hollow Co3O4 and CNTs, which can produce a synergetic enhancement. When integrated into the practical primary and electrochemically rechargeable Zn-air batteries, such a hybrid catalyst can give a discharge peak power density as high as 450 mW cm−2. At 1.0 V of cell voltage, a current density of 324 mA cm−2 is achieved. This performance is superior to all reported non-precious metal catalysts in literature for zinc-air batteries and significantly outperforms the state-of-the-art platinum-based catalyst. Particularly, the rechargeable Zn-air battery can be fabricated into all-solid-state one through a simple solid-state approach, which exhibits an excellent peak power density of 62 mW cm−2, and the charge and discharge potentials remain virtually unchanged during the overall cycles, which is comparable to the one with liquid electrolyte. PMID:27646032

Self-assembly formation of Bi-functional Co3O4/MnO2-CNTs hybrid catalysts for achieving both high energy/power density and cyclic ability of rechargeable zinc-air battery.

PubMed

Xu, Nengneng; Liu, Yuyu; Zhang, Xia; Li, Xuemei; Li, Aijun; Qiao, Jinli; Zhang, Jiujun

2016-09-20

α-MnO2 nanotubes-supported Co3O4 (Co3O4/MnO2) and its carbon nanotubes (CNTs)-hybrids (Co3O4/MnO2-CNTs) have been successfully developed through a facile two-pot precipitation reaction and hydrothermal process, which exhibit the superior bi-functional catalytic activity for both ORR and OER. The high performance is believed to be induced by the hybrid effect among MnO2 nanotubes, hollow Co3O4 and CNTs, which can produce a synergetic enhancement. When integrated into the practical primary and electrochemically rechargeable Zn-air batteries, such a hybrid catalyst can give a discharge peak power density as high as 450 mW cm(-2). At 1.0 V of cell voltage, a current density of 324 mA cm(-2) is achieved. This performance is superior to all reported non-precious metal catalysts in literature for zinc-air batteries and significantly outperforms the state-of-the-art platinum-based catalyst. Particularly, the rechargeable Zn-air battery can be fabricated into all-solid-state one through a simple solid-state approach, which exhibits an excellent peak power density of 62 mW cm(-2), and the charge and discharge potentials remain virtually unchanged during the overall cycles, which is comparable to the one with liquid electrolyte.

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

Zhang, Shuai; Driver, Kevin P.; Soubiran, Francois

As one of the simple alkali metals, sodium has been of fundamental interest for shock physics experiments, but knowledge of its equation of state (EOS) in hot, dense regimes is not well known. By combining path integral Monte Carlo (PIMC) results for partially ionized states at high temperatures and density functional theory molecular dynamics (DFT-MD) results at lower temperatures, we have constructed a coherent equation of state for sodium over a wide density-temperature range of 1.93-11.60 g/cm 3 and 10 3–1.29×10 8 K. We find that a localized, Hartree-Fock nodal structure in PIMC yields pressures and internal energies that aremore » consistent with DFT-MD at intermediate temperatures of 2×10 6 K. Since PIMC and DFT-MD provide a first-principles treatment of electron shell and excitation effects, we are able to identify two compression maxima in the shock Hugoniot curve corresponding to K-shell and L-shell ionization. Our Hugoniot curves provide a benchmark for widely used EOS models: SESAME, LEOS, and Purgatorio. Due to the low ambient density, sodium has an unusually high first compression maximum along the shock Hugoniot curve. At beyond 10 7 K, we show that the radiation effect leads to very high compression along the Hugoniot curve, surpassing relativistic corrections, and observe an increasing deviation of the shock and particle velocities from a linear relation. Here, we also compute the temperature-density dependence of thermal and pressure ionization processes.« less

Thermal Equation of State of Iron: Constraint on the Density Deficit of Earth's Core

NASA Astrophysics Data System (ADS)

Fei, Y.; Murphy, C. A.; Shibazaki, Y.; Huang, H.

2013-12-01

The seismically inferred densities of Earth's solid inner core and the liquid outer core are smaller than the measured densities of solid hcp-iron and liquid iron, respectively. The inner core density deficit is significantly smaller than the outer core density deficit, implying different amounts and/or identities of light-elements incorporated in the inner and outer cores. Accurate measurements of the thermal equation-of-state of iron over a wide pressure and temperature range are required to precisely quantify the core density deficits, which are essential for developing a quantitative composition model for the core. The challenge has been evaluating the experimental uncertainties related to the choice of pressure scales and the sample environment, such as hydrostaticity at multi-megabar pressures and extreme temperatures. We have conducted high-pressure experiments on iron in MgO, NaCl, and Ne pressure media and obtained in-situ X-ray diffraction data up to 200 GPa at room temperature. Using inter-calibrated pressure scales including the MgO, NaCl, Ne, and Pt scales, we have produced a consistent compression curve of hcp-Fe at room temperature. We have also performed laser-heated diamond-anvil cell experiments on both Fe and Pt in a Ne pressure medium. The experiment was designed to quantitatively compare the thermal expansion of Fe and Pt in the same sample environment using Ne as the pressure medium. The thermal expansion data of hcp-Fe at high pressure were derived based on the thermal equation of state of Pt. Using the 300-K isothermal compression curve of iron derived from our static experiments as a constraint, we have developed a thermal equation of state of hcp-Fe that is consistent with the static P-V-T data of iron and also reproduces the shock wave Hugoniot data for pure iron. The thermodynamic model, based on both static and dynamic data, is further used to calculate the density and bulk sound velocity of liquid iron. Our results define the solid inner core and liquid outer core density deficits, which can serve as the basis for any core composition models.

Hierarchical nanostructures of polypyrrole@MnO2 composite electrodes for high performance solid-state asymmetric supercapacitors.

PubMed

Tao, Jiayou; Liu, Nishuang; Li, Luying; Su, Jun; Gao, Yihua

2014-03-07

A solid-state high performance flexible asymmetric supercapacitor (ASC) was fabricated. Its anode is based on organic-inorganic materials, where polypyrrole (PPy) is uniformly wrapped on MnO2 nanoflowers grown on carbon cloth (CC), and its cathode is made of activated carbon (AC) on CC. The ASC has an areal capacitance of 1.41 F cm(-2) and an energy density of 0.63 mW h cm(-2) at a power density of 0.9 mW cm(-2). An energy storage unit fabricated using multiple ASCs can drive a light-emitting diode (LED) segment display, a mini motor and even a toy car after full charging. The high-performance ASCs have significant potential applications in flexible electronics and electrical vehicles.

Flexible solid-state supercapacitors based on carbon nanoparticles/MnO2 nanorods hybrid structure.

PubMed

Yuan, Longyan; Lu, Xi-Hong; Xiao, Xu; Zhai, Teng; Dai, Junjie; Zhang, Fengchao; Hu, Bin; Wang, Xue; Gong, Li; Chen, Jian; Hu, Chenguo; Tong, Yexiang; Zhou, Jun; Wang, Zhong Lin

2012-01-24

A highly flexible solid-state supercapacitor was fabricated through a simple flame synthesis method and electrochemical deposition process based on a carbon nanoparticles/MnO(2) nanorods hybrid structure using polyvinyl alcohol/H(3)PO(4) electrolyte. Carbon fabric is used as a current collector and electrode (mechanical support), leading to a simplified, highly flexible, and lightweight architecture. The device exhibited good electrochemical performance with an energy density of 4.8 Wh/kg at a power density of 14 kW/kg, and a demonstration of a practical device is also presented, highlighting the path for its enormous potential in energy management. © 2011 American Chemical Society

Density-based cluster algorithms for the identification of core sets

NASA Astrophysics Data System (ADS)

Lemke, Oliver; Keller, Bettina G.

2016-10-01

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

All-solid-state Al-air batteries with polymer alkaline gel electrolyte

NASA Astrophysics Data System (ADS)

Zhang, Zhao; Zuo, Chuncheng; Liu, Zihui; Yu, Ying; Zuo, Yuxin; Song, Yu

2014-04-01

Aluminum-air (Al-air) battery is one of the most promising candidates for next-generation energy storage systems because of its high capacity and energy density, and abundance. The polyacrylic acid (PAA)-based alkaline gel electrolyte is used in all-solid-state Al-air batteries instead of aqueous electrolytes to prevent leakage. The optimal gel electrolyte exhibits an ionic conductivity of 460 mS cm-1, which is close to that of aqueous electrolytes. The Al-air battery peak capacity and energy density considering only Al can reach 1166 mAh g-1-Al and 1230 mWh g-1-Al, respectively, during constant current discharge. The battery prototype also exhibits a high power density of 91.13 mW cm-2. For the battery is a laminated structure, area densities of 29.2 mAh cm-2 and 30.8 mWh cm-2 are presented to appraise the performance of the whole cell. A novel design to inhibit anodic corrosion is proposed by separating the Al anode from the gel electrolyte when not in use, thereby effectively maintaining the available capacity of the battery.

Implications of the formation of small polarons in Li2O2 for Li-air batteries

NASA Astrophysics Data System (ADS)

Kang, Joongoo; Jung, Yoon Seok; Wei, Su-Huai; Dillon, Anne C.

2012-01-01

Lithium-air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of ˜11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li2O2 in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li2O2 limits electron transport. Consequently, the low electron mobility μ = 10-10-10-9 cm2/V s contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li2O2 and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li2O2 suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.

Divergence of activity expansions: Is it actually a problem?

NASA Astrophysics Data System (ADS)

Ushcats, M. V.; Bulavin, L. A.; Sysoev, V. M.; Ushcats, S. Yu.

2017-12-01

For realistic interaction models, which include both molecular attraction and repulsion (e.g., Lennard-Jones, modified Lennard-Jones, Morse, and square-well potentials), the asymptotic behavior of the virial expansions for pressure and density in powers of activity has been studied taking power terms of high orders into account on the basis of the known finite-order irreducible integrals as well as the recent approximations of infinite irreducible series. Even in the divergence region (at subcritical temperatures), this behavior stays thermodynamically adequate (in contrast to the behavior of the virial equation of state with the same set of irreducible integrals) and corresponds to the beginning of the first-order phase transition: the divergence yields the jump (discontinuity) in density at constant pressure and chemical potential. In general, it provides a statistical explanation of the condensation phenomenon, but for liquid or solid states, the physically proper description (which can turn the infinite discontinuity into a finite jump of density) still needs further study of high-order cluster integrals and, especially, their real dependence on the system volume (density).

Aligning Solution-Derived Carbon Nanotube Film with Full Surface Coverage for High-Performance Electronics Applications.

PubMed

Zhu, Ma-Guang; Si, Jia; Zhang, Zhiyong; Peng, Lian-Mao

2018-06-01

The main challenge for application of solution-derived carbon nanotubes (CNTs) in high performance field-effect transistor (FET) is how to align CNTs into an array with high density and full surface coverage. A directional shrinking transfer method is developed to realize high density aligned array based on randomly orientated CNT network film. Through transferring a solution-derived CNT network film onto a stretched retractable film followed by a shrinking process, alignment degree and density of CNT film increase with the shrinking multiple. The quadruply shrunk CNT films present well alignment, which is identified by the polarized Raman spectroscopy and electrical transport measurements. Based on the high quality and high density aligned CNT array, the fabricated FETs with channel length of 300 nm present ultrahigh performance including on-state current I on of 290 µA µm -1 (V ds = -1.5 V and V gs = -2 V) and peak transconductance g m of 150 µS µm -1 , which are, respectively, among the highest corresponding values in the reported CNT array FETs. High quality and high semiconducting purity CNT arrays with high density and full coverage obtained through this method promote the development of high performance CNT-based electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Revisiting the role of trap-assisted-tunneling process on current-voltage characteristics in tunnel field-effect transistors

NASA Astrophysics Data System (ADS)

Omura, Yasuhisa; Mori, Yoshiaki; Sato, Shingo; Mallik, Abhijit

2018-04-01

This paper discusses the role of trap-assisted-tunneling process in controlling the ON- and OFF-state current levels and its impacts on the current-voltage characteristics of a tunnel field-effect transistor. Significant impacts of high-density traps in the source region are observed that are discussed in detail. With regard to recent studies on isoelectronic traps, it has been discovered that deep level density must be minimized to suppress the OFF-state leakage current, as is well known, whereas shallow levels can be utilized to control the ON-state current level. A possible mechanism is discussed based on simulation results.

Studies of thermophysical properties of high-energy-density states in matter using intense heavy ion beams at the future FAIR accelerator facilities: The HEDgeHOB collaboration

NASA Astrophysics Data System (ADS)

Tahir, N. A.; Shutov, A.; Lomonosov, I. V.; Gryaznov, V.; Deutsch, C.; Fortov, V. E.; Hoffmann, D. H. H.; Ni, P.; Piriz, A. R.; Udrea, S.; Varentsov, D.; Wouchuk, G.

2006-06-01

Intense beams of energetic heavy ions are believed to be a very efficient and novel tool to create states of High-Energy-Density (HED) in matter. This paper shows with the help of numerical simulations that the heavy ion beams that will be generated at the future Facility for Antiprotons and Ion Research (FAIR)[W.F. Henning, Nucl. Instr. Meth. B 214, 211 (2004)] will allow one to use two different experimental schemes to study HED states in matter. First scheme named HIHEX (Heavy Ion Heating and EXpansion), will generate high-pressure, high-entropy states in matter by volumetric isochoric heating. The heated material will then be allowed to expand isentropically. Using this scheme, it will be possible to study important regions of the phase diagram that are either difficult to access or are even unaccessible using traditional methods of shock compression. The second scheme would allow one to achieve low-entropy compression of a sample material like hydrogen or water to produce conditions that are believed to exist in the interiors of the giant planets. This scheme is named LAPLAS (LAboratory PLAnetary Sciences).

Improving Access to Medical Lactation Support and Counseling: Building the Case for Medicaid Reimbursement.

PubMed

Wouk, Kathryn; Chetwynd, Ellen; Vitaglione, Thomas; Sullivan, Catherine

2017-04-01

Objective While the Affordable Care Act improves access to lactation services for many women across the US, low-income mothers in states without Medicaid expansion lack coverage for lactation support. As these states consider individual Medicaid reimbursement policies, the availability, effectiveness, and cost-benefit of lactation services must be evaluated. We conducted such an analysis for low-income mothers in North Carolina (NC), providing a model for other states. Methods First, we analyzed the distribution of NC International Board Certified Lactation Consultants (IBCLCs) and county-level breastfeeding rates among low-income infants. Logistic regression was used to examine the association between IBCLC density and 6-week breastfeeding duration. Finally, state advocates collaborated on a cost-benefit analysis of Medicaid coverage of IBCLCs. Results Maps of the NC breastfeeding support landscape indicate that IBCLCs are available to provide services to low-income women across the state. Compared to counties with no IBCLCs, those with high IBCLC density were found to have a 6-week breastfeeding prevalence ratio of 1.20 (95 % CI 1.12, 1.28). Medicaid reimbursement of IBCLCs showed an estimated annual cost savings of $2.33 million. Conclusions for Practice In one state without Medicaid expansion, we found that breastfeeding support resources are available across the state, high density IBCLC support is associated with increased breastfeeding by low-income mothers, and services are cost-effective. Our model for Medicaid reimbursement in NC provides a framework for states to improve equity in access to optimal lactation support.

Recent charge-breeding developments with EBIS/T devices (invited).

PubMed

Schwarz, S; Lapierre, A

2016-02-01

Short breeding times, narrow charge state distributions, low background, high efficiency, and the flexible time structure of the ejected low-emittance ion pulses are among the most attractive features of electron beam ion source or trap (EBIS/T) based charge breeders. Significant progress has been made to further improve these properties: Several groups are working to increase current densities towards 10(3) or even 10(4) A/cm(2). These current densities will become necessary to deliver high charge states of heavy nuclei in a short time and/or provide sufficient space-charge capacity to handle high-current ion beams in next-generation rare-isotope beam (RIB) facilities. Efficient capture of continuous beams, attractive because of its potential of handling highest-current ion beams, has become possible with the development of high-density electron beams of >1 A. Requests for the time structure of the charge bred ion pulse range from ultra-short pulses to quasi-continuous beams. Progress is being made on both ends of this spectrum, by either dividing the extracted charge in many pulse-lets, adjusting the extraction potential for a near-uniform long pulse, or adding dedicated devices to spread the ion bunches delivered from the EBIS/T in time. Advances in EBIS/T charge state breeding are summarized, including recent results with NSCL's ReA EBIS/T charge breeder.

Recent charge-breeding developments with EBIS/T devices (invited)

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

Schwarz, S., E-mail: schwarz@nscl.msu.edu; Lapierre, A.

Short breeding times, narrow charge state distributions, low background, high efficiency, and the flexible time structure of the ejected low-emittance ion pulses are among the most attractive features of electron beam ion source or trap (EBIS/T) based charge breeders. Significant progress has been made to further improve these properties: Several groups are working to increase current densities towards 10{sup 3} or even 10{sup 4} A/cm{sup 2}. These current densities will become necessary to deliver high charge states of heavy nuclei in a short time and/or provide sufficient space-charge capacity to handle high-current ion beams in next-generation rare-isotope beam (RIB) facilities.more » Efficient capture of continuous beams, attractive because of its potential of handling highest-current ion beams, has become possible with the development of high-density electron beams of >1 A. Requests for the time structure of the charge bred ion pulse range from ultra-short pulses to quasi-continuous beams. Progress is being made on both ends of this spectrum, by either dividing the extracted charge in many pulse-lets, adjusting the extraction potential for a near-uniform long pulse, or adding dedicated devices to spread the ion bunches delivered from the EBIS/T in time. Advances in EBIS/T charge state breeding are summarized, including recent results with NSCL’s ReA EBIS/T charge breeder.« less

Density Measurement of Liquid FeS Under High Pressure and High Temperature

NASA Astrophysics Data System (ADS)

Yu, T.; Young, C.; Chen, J.; Baldwin, K.

2005-05-01

Sulfur is considered one of the possible light elements in the core which might be responsible for the density deficit. We studied the liquid state of sulfur in iron due to sulfur¡¦s lack of amount in the mantle; easiness to alloy with iron; and the predicted 5% ~ 10% amount of this light element in the core (Ahrens, 1979; Sherman, 1997). Restricted by the modern development of the multianvil high pressure experimental equipments, the experiments are limited at a lower pressure range (<30GPa) comparing with the outer core pressure condition. Therefore, extrapolation of data derived at low pressure range to the condition of the outer core (130-330GPa) has to be applied and may produce results which are way far from the true numbers. However, at the point while the techniques are limited, studying the physical properties of the molten FeS at relatively low pressure still provides us a better picture of the physical behaviors of the liquid outer core comparing with data derived from solid state FeS experiments. The lack of melt density data at low pressure provides another motivation for us to study the physical properties of melt. The radiography (shadowgraphy) system on Beam Line X17B2, NSLS at the Brookhaven National Laboratory is an add-on system attached to the in situ x-ray beam line setup. It includes a YAG fluorescent screen, an optical mirror, focusing-magnification lenses, and a CCD camera and/or a video camera. Before the melting temperature, the radiograph system yields a maximum 1% difference in density comparing with the data collected by the traditional x-ray diffraction method. We have successfully examined liquid FeS samples by applying this technique at the NSLS. With a sapphire (Al2O3) sphere surrounded by FeS powder. The image of the sphere was clearly shown due to the absorption coefficient difference between these two materials. The density fitting method developed by our group has produced convincing data. The preliminary results of the density measurements of molten FeS show that the derived liquid density variation for the same sample remains under 1%. This study has collected in situ high pressure and high temperature x-ray diffraction data of the FeS sample up to 4GPa and 1400°C. Combined with the derived density data, the equation of state of the liquid FeS can be constructed.

Data Encoding using Periodic Nano-Optical Features

NASA Astrophysics Data System (ADS)

Vosoogh-Grayli, Siamack

Successful trials have been made through a designed algorithm to quantize, compress and optically encode unsigned 8 bit integer values in the form of images using Nano optical features. The periodicity of the Nano-scale features (Nano-gratings) have been designed and investigated both theoretically and experimentally to create distinct states of variation (three on states and one off state). The use of easy to manufacture and machine readable encoded data in secured authentication media has been employed previously in bar-codes for bi-state (binary) models and in color barcodes for multiple state models. This work has focused on implementing 4 states of variation for unit information through periodic Nano-optical structures that separate an incident wavelength into distinct colors (variation states) in order to create an encoding system. Compared to barcodes and magnetic stripes in secured finite length storage media the proposed system encodes and stores more data. The benefits of multiple states of variation in an encoding unit are 1) increased numerically representable range 2) increased storage density and 3) decreased number of typical set elements for any ergodic or semi-ergodic source that emits these encoding units. A thorough investigation has targeted the effects of the use of multi-varied state Nano-optical features on data storage density and consequent data transmission rates. The results show that use of Nano-optical features for encoding data yields a data storage density of circa 800 Kbits/in2 via the implementation of commercially available high resolution flatbed scanner systems for readout. Such storage density is far greater than commercial finite length secured storage media such as Barcode family with maximum practical density of 1kbits/in2 and highest density magnetic stripe cards with maximum density circa 3 Kbits/in2. The numerically representable range of the proposed encoding unit for 4 states of variation is [0 255]. The number of typical set elements for an ergodic source emitting the optical encoding units compared to a bi-state encoding unit (bit) shows a 36 orders of magnitude decrease for the error probability interval of [0 0.01]. The algorithms for the proposed encoding system have been implemented in MATLAB and the Nano-optical structures have been fabricated using Electron Beam Lithography on optical medium.

Dependency of subcellular reactions during PDT on the metabolic state of cell cultures probed by different microscopic techniques

NASA Astrophysics Data System (ADS)

Rueck, Angelika C.; Schneckenburger, Herbert; Strauss, Wolfgang S. L.; Gschwend, Michael H.; Beck, Gerd C.; Kunzi-Rapp, Karin; Steiner, Rudolf W.

1994-02-01

Various microscopic techniques were used to study the dependency of photodynamically induced subcellular reactions on the metabolic state of cell cultures. TPPS4 and AlS2-3Pc were incubated in RR 1022 epithelial cells with varying cell density. To attain almost isolated cells (low cell density) or confluent growing cells (high cell density) 25 cells/mm2 or 500 cells/mm2 were seeded, respectively. Low cell density irradiation with blue light led to a change in the initial cytoplasmatic fluorescence pattern. For both sensitizers, TPPS4 as well as AlS2-3, a fluorescence relocalization and fluorescence intensity increase could be detected, moreover in the case of TPPS4 a fluorescence formation in the nucleus and nucleoli were detected. In contrast, for confluent growing cells no redistribution was observed.

Entanglement classification in the noninteracting Fermi gas

NASA Astrophysics Data System (ADS)

Jafarizadeh, M. A.; Eghbalifam, F.; Nami, S.; Yahyavi, M.

In this paper, entanglement classification shared among the spins of localized fermions in the noninteracting Fermi gas is studied. It is proven that the Fermi gas density matrix is block diagonal on the basis of the projection operators to the irreducible representations of symmetric group Sn. Every block of density matrix is in the form of the direct product of a matrix and identity matrix. Then it is useful to study entanglement in every block of density matrix separately. The basis of corresponding Hilbert space are identified from the Schur-Weyl duality theorem. Also, it can be shown that the symmetric part of the density matrix is fully separable. Then it has been shown that the entanglement measure which is introduced in Eltschka et al. [New J. Phys. 10, 043104 (2008)] and Guhne et al. [New J. Phys. 7, 229 (2005)], is zero for the even n qubit Fermi gas density matrix. Then by focusing on three spin reduced density matrix, the entanglement classes have been investigated. In three qubit states there is an entanglement measure which is called 3-tangle. It can be shown that 3-tangle is zero for three qubit density matrix, but the density matrix is not biseparable for all possible values of its parameters and its eigenvectors are in the form of W-states. Then an entanglement witness for detecting non-separable state and an entanglement witness for detecting nonbiseparable states, have been introduced for three qubit density matrix by using convex optimization problem. Finally, the four spin reduced density matrix has been investigated by restricting the density matrix to the irreducible representations of Sn. The restricted density matrix to the subspaces of the irreducible representations: Ssym, S3,1 and S2,2 are denoted by ρsym, ρ3,1 and ρ2,2, respectively. It has been shown that some highly entangled classes (by using the results of Miyake [Phys. Rev. A 67, 012108 (2003)] for entanglement classification) do not exist in the blocks of density matrix ρ3,1 and ρ2,2, so these classes do not exist in the total Fermi gas density matrix.

Observation of ionization shifts in K-shell emission from short-pulse laser irradiated micro-dot targets

NASA Astrophysics Data System (ADS)

Neumayer, Paul; Kritcher, Andrea; Landen, Otto; Lee, Haeja; Offerman, Dustin; Shipton, Eric; Glenzer, Siegfried

2006-10-01

X-ray Thomson scattering using short pulse laser generated intense line radiation has a great potential as a time-resolved temperature and density diagnostic for high-energy density states of matter. We present recent results characterizing Chlorine K-alpha and K-beta line emission obtained by irradiating Saran foil with 50 Terawatt laser pulses from the Callisto laser (Jupiter Laser Facility, Lawrence Livermore National Laboratory). Spectra from front and rear side emission are recorded simultaneously with high resolution HOPG spectrometers employing imaging plate detectors. Conversion efficiencies of laser pulse energy into x-ray line emission of several 10-5 are achieved and are maintained throughout up to 7 J of laser energy, thus constituting a short pulsed narrow band x-ray source of more than 10^11 photons. When the target size is reduced to 50 micrometer (``micro-dot'') a significant blue-shift of up to 5 eV is clearly observed. This can be attributed to higher ionization states of the target atoms indicating achievement of a high-temperature solid density state. This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48 and LDRD 05-ERI-003.

Sloan Great Wall as a complex of superclusters with collapsing cores

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Measuring the properties of shock released Quartz and Parylene-N

NASA Astrophysics Data System (ADS)

Hawreliak, James; Karasik, Max; Oh, Jaechul; Aglitskiy, Yefim

2016-10-01

The high pressure and temperature properties of Quartz and hydrocarbons are important to high energy density (HED) research and inertial confinement fusion (ICF) science. The bulk of HED material research studies the single shock Hugoniot. Here, we present experimental results from the NIKE laser where quartz and parylene-N are shock compressed to high pressure and temperature and the release state is measured through x-ray imaging. The shock state is characterized by shock front velocity measurements using VISAR and the release state is characterized by using side-on streaked x-ray radiography.

A review of low density porous materials used in laser plasma experiments

NASA Astrophysics Data System (ADS)

Nagai, Keiji; Musgrave, Christopher S. A.; Nazarov, Wigen

2018-03-01

This review describes and categorizes the synthesis and properties of low density porous materials, which are commonly referred to as foams and are utilized for laser plasma experiments. By focusing a high-power laser on a small target composed of these materials, high energy and density states can be produced. In the past decade or so, various new target fabrication techniques have been developed by many laboratories that use high energy lasers and consequently, many publications and reviews followed these developments. However, the emphasis so far has been on targets that did not utilize low density porous materials. This review therefore, attempts to redress this balance and endeavors to review low density materials used in laser plasma experiments in recent years. The emphasis of this review will be on aspects of low density materials that are of relevance to high energy laser plasma experiments. Aspects of low density materials such as densities, elemental compositions, macroscopic structures, nanostructures, and characterization of these materials will be covered. Also, there will be a brief mention of how these aspects affect the results in laser plasma experiments and the constrictions that these requirements put on the fabrication of low density materials relevant to this field. This review is written from the chemists' point of view to aid physicists and the new comers to this field.

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

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

Density of alkaline magmas at crustal and upper mantle conditions by X-ray absorption

NASA Astrophysics Data System (ADS)

Seifert, R.; Malfait, W.; Petitgirard, S.; Sanchez-Valle, C.

2011-12-01

Silicate melts are essential components of igneous processes and are directly involved in differentiation processes and heat transfer within the Earth. Studies of the physical properties of magmas (e.g., density, viscosity, conductivity, etc) are however challenging and experimental data at geologically relevant pressure and temperature conditions remain scarce. For example, there is virtually no data on the density at high pressure of alkaline magmas (e.g., phonolites) typically found in continental rift zone settings. We present in situ density measurements of alkaline magmas at crustal and upper mantle conditions using synchrotron X-ray absorption. Measurements were conducted on ID27 beamline at ESRF using a panoramic Paris-Edinburgh Press (PE Press). The starting material is a synthetic haplo-phonolite glass similar in composition to the Plateau flood phonolites from the Kenya rift [1]. The glass was synthesized at 1673 K and 2.0 GPa in a piston-cylinder apparatus at ETH Zurich and characterized using EPMA, FTIR and density measurements. The sample contains less than 200 ppm water and is free of CO2. Single-crystal diamond cylinders (Øin = 0.5 mm, height = 1 mm) were used as sample containers and placed in an assembly formed by hBN spacers, a graphite heater and a boron epoxy gasket [2]. The density was determined as a function of pressure (1.0 to 3.1 GPa) and temperature (1630-1860 K) from the X-ray absorption contrast at 20 keV between the sample and the diamond capsule. The molten state of the sample during the data collection was confirmed by X-ray diffraction measurements. Pressure and temperature were determined simultaneously from the equation of state of hBN and platinum using the the double isochor method [3].The results are combined with available density data at room conditions to derive the first experimental equation of state (EOS) of phonolitic liquids at crustal and upper mantle conditions. We will compare our results with recent reports of the density of dry and hydrous rhyolite melts (Malfait et al., this meeting) and discuss compositional effects on the density of melts and the implications for magmatic processes in the lower crust and magma chambers. [1] Hay D.E., Wendlandt R.F., 1995, J.Geophys. Res. 100, 401-410. [2] van Kan Parker M. et al., 2010, High Pressure Research, 30: 2, 332 - 341. [3] W.A. Chrichton, M. Mezouar, 2002, High Temp.-High Press, 34, 235.

Carrier multiplication in semiconductor nanocrystals: theoretical screening of candidate materials based on band-structure effects.

PubMed

Luo, Jun-Wei; Franceschetti, Alberto; Zunger, Alex

2008-10-01

Direct carrier multiplication (DCM) occurs when a highly excited electron-hole pair decays by transferring its excess energy to the electrons rather than to the lattice, possibly exciting additional electron-hole pairs. Atomistic electronic structure calculations have shown that DCM can be induced by electron-hole Coulomb interactions, in an impact-ionization-like process whose rate is proportional to the density of biexciton states rho XX. Here we introduce a DCM "figure of merit" R2(E) which is proportional to the ratio between the biexciton density of states rhoXX and the single-exciton density of states rhoX, restricted to single-exciton and biexciton states that are coupled by Coulomb interactions. Using R2(E), we consider GaAs, InAs, InP, GaSb, InSb, CdSe, Ge, Si, and PbSe nanocrystals of different sizes. Although DCM can be affected by both quantum-confinement effects (reflecting the underly electronic structure of the confined dot-interior states) and surface effects, here we are interested to isolate the former. To this end the nanocrystal energy levels are obtained from the corresponding bulk band structure via the truncated crystal approximation. We find that PbSe, Si, GaAs, CdSe, and InP nanocrystals have larger DCM figure of merit than the other nanocrystals. Our calculations suggest that high DCM efficiency requires high degeneracy of the corresponding bulk band-edge states. Interestingly, by considering band structure effects we find that as the dot size increases the DCM critical energy E0 (the energy at which R2(E) becomes >or=1) is reduced, suggesting improved DCM. However, whether the normalized E0/epsilong increases or decreases as the dot size increases depends on dot material.

Neuropsychological state of the population living in the Aral Sea region (zone of ecological crisis).

PubMed

Sakiev, Kanat; Battakova, Sharbanu; Namazbaeva, Zulkiya; Ibrayeva, Lyazat; Otarbayeva, Maral; Sabirov, Zhanbol

2017-04-01

Background The Aral Sea crisis has led to harmful effects on human habitat. In recent years, mild cognitive impairment is a growing problem. Objectives This article provides the results of studying the neuropsychological state of residents living in the crisis zone of the Aral Sea region in the case of Shalkar city. We have provided an assessment of the neuropsychological state of examined population and determined the leading pathology in this region. Methods The survey sample included 344 persons of reproductive age from 21 to 45 years. We have obtained results in biochemical studies, indicating perturbations of proteometabolism and lipid metabolism. Results A correlation analysis showed dependence between a decrease of albumin and high-density lipoproteins, an increase of low-density lipoproteins and parameters of cognitive function. Conclusions The research suggests a high prevalence of cerebrovascular pathology among the population, changes in cognitive function parameters, long-term and short-term memory problems and high levels of depression.

Using phase contrast imaging to measure the properties of shock compressed aerogel

NASA Astrophysics Data System (ADS)

Hawreliak, James; Erskine, Dave; Schropp, Andres; Galtier, Eric C.; Heimann, Phil

2017-01-01

The Hugoniot states of low density materials, such as silica aerogel, are used in high energy density physics research because they can achieve a range of high temperature and pressure states through shock compression. The shock properties of 100mg/cc silica aerogel were studied at the Materials in Extreme Conditions end station using x-ray phase contrast imaging of spherically expanding shock waves. The shockwaves were generated by focusing a high power 532nm laser to a 50μm focal spot on a thin aluminum ablator. The shock speed was measured in separate experiments using line-VISAR measurements from the reflecting shock front. The relative timing between the x-ray probe and the optical laser pump was varied so x-ray PCI images were taken at pressures between 10GPa and 30GPa. Modeling the compression of the foam in the strong shock limit uses a Gruneisen parameter of 0.49 to fit the data rather than a value of 0.66 that would correspond to a plasma state.

Magnetic preferential orientation of metal oxide superconducting materials

DOEpatents

Capone, D.W.; Dunlap, B.D.; Veal, B.W.

1990-07-17

A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) exhibits superconducting properties and is capable of conducting very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the conduction of high current densities. The highly anisotropic diamagnetic susceptibility of the polycrystalline metal oxide material permits the use of an applied magnetic field to orient the individual crystals when in the superconducting state to substantially increase current transport between adjacent grains. In another embodiment, the anisotropic paramagnetic susceptibility of rare-earth ions substituted into the oxide material is made use of as an applied magnetic field orients the particles in a preferential direction. This latter operation can be performed with the material in the normal (non-superconducting) state. 4 figs.

Magnetic preferential orientation of metal oxide superconducting materials

DOEpatents

Capone, Donald W.; Dunlap, Bobby D.; Veal, Boyd W.

1990-01-01

A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0

Effects of oxygen concentration on atmospheric pressure dielectric barrier discharge in Argon-Oxygen Mixture

NASA Astrophysics Data System (ADS)

Li, Xuechun; Li, Dian; Wang, Younian

2016-09-01

A dielectric barrier discharge (DBD) can generate a low-temperature plasma easily at atmospheric pressure and has been investigated for applications in trials in cancer therapy, sterilization, air pollution control, etc. It has been confirmed that reactive oxygen species (ROS) play a key role in the processes. In this work, we use a fluid model to simulate the plasma characteristics for DBD in argon-oxygen mixture. The effects of oxygen concentration on the plasma characteristics have been discussed. The evolution mechanism of ROS has been systematically analyzed. It was found that the ground state oxygen atoms and oxygen molecular ions are the dominated oxygen species under the considered oxygen concentrations. With the oxygen concentration increasing, the densities of electrons, argon atomic ions, resonance state argon atoms, metastable state argon atoms and excited state argon atoms all show a trend of decline. The oxygen molecular ions density is high and little influenced by the oxygen concentration. Ground state oxygen atoms density tends to increase before falling. The ozone density increases significantly. Increasing the oxygen concentration, the discharge mode begins to change gradually from the glow discharge mode to Townsend discharge mode. Project supported by the National Natural Science Foundation of China (Grant No. 11175034).

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

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

Electronic structure and reactivity of cobalt oxide dimers and their hexacarbonyl complexes: a density functional study.

PubMed

Uzunova, Ellie L; Mikosch, Hans

2012-03-29

The dimers of cobalt oxide (CoO)(2) with cyclic and open bent structure are studied with the B1LYP density functional; the ordering of states is validated by the CCSD(T) method. The D(2h)-symmetry rhombic dioxide Co(2)O(2) with antiferromagnetically ordered electrons on cobalt centers is the global minimum. The cyclic peroxide Co(2)(O(2)) with side-on-bonded dioxygen in (7)B(2) ground state is separated from the global minimum by an energy gap of 3.15 eV. The dioxide is highly reactive as indicated by the high value of proton affinity and chemical reactivity indices. The four-member ring structures are more stable than those with three-member ring or chain configuration. The thermodynamic stability toward dissociation to CoO increases upon carbonylation, whereas proton affinity and reactivity with release of molecular oxygen also increase. The global minimum of Co(2)O(2)(CO)(6) corresponds to a triplet state (3)A" with oxygen atoms shifted above the molecular plane of the rhombic dioxide Co(2)O(2). The SOMO-LUMO gap in the ground-state carbonylated dioxide is wider, compared to the same gap in the bare dicobalt dioxide. The peroxo-isomer Co(2)(O(2))(CO)(6) retains the planar Co(2)(O(2)) ring and is only stable in a high-spin state (7)A". The carbonylated clusters have increased reactivity in both redox and nucleophilic reactions, as a result of the increased electron density in the Co(2)O(2)-ring area.

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

PubMed

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

2008-03-06

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

The Equation of State and Optical Conductivity of Warm Dense He and H2

NASA Astrophysics Data System (ADS)

Brygoo, Stephanie; Eggert, Jon H.; Loubeyre, Paul; McWilliams, Ryan S.; Hicks, Damien G.; Celliers, Peter M.; Boehly, Tom R.; Jeanloz, Raymond; Collins, Gilbert W.

2007-06-01

The determination of the equations of state of helium and hydrogen at very high density is an important problem at the frontier between condensed matter physics and plasma physics with important implications for planetary physics. Due to the limitations of the conventional techniques for reaching extreme densities(static or single shock compression), there are almost no data for the deep interior states of Jupiter. We present here shock compression measurements of helium and hydrogen, precompressed in diamond anvil cells up to 3ρliquid. We report the shock pressure, density and reflectivity up to 2 Mbar for helium and up to 1 Mbar for hydrogen. The data are compared to equations of state models used for astrophysical applications and to recent first principles calculations. This work was performed under the auspices of the U.S. Department of Energy (DOE) by the University of California, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48.

Ambipolar surface state thermoelectric power of topological insulator Bi2Se3.

PubMed

Kim, Dohun; Syers, Paul; Butch, Nicholas P; Paglione, Johnpierre; Fuhrer, Michael S

2014-01-01

We measure gate-tuned thermoelectric power of mechanically exfoliated Bi2Se3 thin films in the topological insulator regime. The sign of the thermoelectric power changes across the charge neutrality point as the majority carrier type switches from electron to hole, consistent with the ambipolar electric field effect observed in conductivity and Hall effect measurements. Near the charge neutrality point and at low temperatures, the gate-dependent thermoelectric power follows the semiclassical Mott relation using the expected surface state density of states but is larger than expected at high electron doping, possibly reflecting a large density of states in the bulk gap. The thermoelectric power factor shows significant enhancement near the electron-hole puddle carrier density ∼0.5 × 10(12) cm(-2) per surface at all temperatures. Together with the expected reduction of lattice thermal conductivity in low-dimensional structures, the results demonstrate that nanostructuring and Fermi level tuning of three-dimensional topological insulators can be promising routes to realize efficient thermoelectric devices.

A p-nitroaniline redox-active solid-state electrolyte for battery-like electrochemical capacitive energy storage combined with an asymmetric supercapacitor based on metal oxide functionalized β-polytype porous silicon carbide electrodes.

PubMed

Kim, Myeongjin; Yoo, Jeeyoung; Kim, Jooheon

2017-05-23

A unique redox active flexible solid-state asymmetric supercapacitor with ultra-high capacitance and energy density was fabricated using a composite comprising MgCo 2 O 4 nanoneedles and micro and mesoporous silicon carbide flakes (SiCF) (SiCF/MgCo 2 O 4 ) as the positive electrode material. Due to the synergistic effect of the two materials, this hybrid electrode has a high specific capacitance of 516.7 F g -1 at a scan rate of 5 mV s -1 in a 1 M KOH aqueous electrolyte. To obtain a reasonable matching of positive and negative electrode pairs, a composite of Fe 3 O 4 nanoparticles and SiCF (SiCF/Fe 3 O 4 ) was synthesized for use as a negative electrode material, which shows a high capacitance of 423.2 F g -1 at a scan rate of 5 mV s -1 . Therefore, by pairing the SiCF/MgCo 2 O 4 positive electrode and the SiCF/Fe 3 O 4 negative electrode with a redox active quasi-solid-state PVA-KOH-p-nitroaniline (PVA-KOH-PNA) gel electrolyte, a novel solid-state asymmetric supercapacitor device was assembled. Because of the synergistic effect between the highly porous SiCF and the vigorous redox-reaction of metal oxides, the hybrid nanostructure electrodes exhibited outstanding charge storage and transport. In addition, the redox active PVA-KOH-PNA electrolyte adds additional pseudocapacitance, which arises from the nitro-reduction and oxidation and reduction process of the reduction product of p-phenylenediamine, resulting in an enhancement of the capacitance (a specific capacitance of 161.77 F g -1 at a scan rate of 5 mV s -1 ) and energy density (maximum energy density of 72.79 Wh kg -1 at a power density of 727.96 W kg -1 ).

Population density predicts outcome from out-of-hospital cardiac arrest in Victoria, Australia.

PubMed

Nehme, Ziad; Andrew, Emily; Cameron, Peter A; Bray, Janet E; Bernard, Stephen A; Meredith, Ian T; Smith, Karen

2014-05-05

To examine the impact of population density on incidence and outcome of out-of-hospital cardiac arrest (OHCA). Data were extracted from the Victorian Ambulance Cardiac Arrest Registry for all adult OHCA cases of presumed cardiac aetiology attended by the emergency medical service (EMS) between 1 January 2003 and 31 December 2011. Cases were allocated into one of five population density groups according to their statistical local area: very low density (≤ 10 people/km(2)), low density (11-200 people/km(2)), medium density (201-1000 people/km(2)), high density (1001-3000 people/km(2)), and very high density (> 3000 people/km(2)). Survival to hospital and survival to hospital discharge. The EMS attended 27 705 adult presumed cardiac OHCA cases across 204 Victorian regions. In 12 007 of these (43.3%), resuscitation was attempted by the EMS. Incidence was lower and arrest characteristics were consistently less favourable for lower population density groups. Survival outcomes, including return of spontaneous circulation, survival to hospital and survival to hospital discharge, were significantly poorer in less densely populated groups (P < 0.001 for all comparisons). When compared with very low density populations, the risk-adjusted odds ratios of surviving to hospital discharge were: low density, 1.88 (95% CI, 1.15-3.07); medium density, 2.49 (95% CI, 1.55-4.02); high density, 3.47 (95% CI, 2.20-5.48) and very high density, 4.32 (95% CI, 2.67-6.99). Population density is independently associated with survival after OHCA, and significant variation in the incidence and characteristics of these events are observed across the state.

Fluorinated Carbon Composite Cathode for a High Energy Lithium Battery (Briefing Charts)

DTIC Science & Technology

2011-02-16

REPORT DOCUMENTATION PAGE Standard Form 298 (Rev. 8/98) Prescribed by ANSI Std. Z39.18 Form Approved OMB No. 0704-0188 The public reporting burden...monofluoride (Li/ CFx ) primary batteries have double energy density over state-of-the-art Li/MnO2 and Li/SO2 primary batteries (theoretically 2203 Wh/kg...temperature operating conditions. This invention relates to a high energy density Li/ CFx primary battery technology with substantial reduction in

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.

Nuclear resonant inelastic X-ray scattering at high pressure and low temperature

DOE PAGES

Bi, Wenli; Zhao, Jiyong; Lin, Jung -Fu; ...

2015-01-01

In this study, a new synchrotron radiation experimental capability of coupling nuclear resonant inelastic X-ray scattering with the cryogenically cooled high-pressure diamond anvil cell technique is presented. The new technique permits measurements of phonon density of states at low temperature and high pressure simultaneously, and can be applied to studies of phonon contribution to pressure- and temperature-induced magnetic, superconducting and metal–insulator transitions in resonant isotope-bearing materials. In this report, a pnictide sample, EuFe 2As 2, is used as an example to demonstrate this new capability at beamline 3-ID of the Advanced Photon Source, Argonne National Laboratory. A detailed description ofmore » the technical development is given. The Fe-specific phonon density of states and magnetism from the Fe sublattice in Eu 57Fe 2As 2 at high pressure and low temperature were derived by using this new capability.« less

Studies of discharge mechanisms in high pressure gases-applications to high efficiency high power lasers. Ph.D. Thesis. Semiannual Progress Report

NASA Technical Reports Server (NTRS)

Cherrington, B. E.; Verdeyen, J. T.; Eden, J. G.; Leslie, S. G.

1975-01-01

By measuring the absorption and emission cantinua of various states in the cesium/xenon molecule, the collisional rates critical in populating the alkali/rare gas excimer levels have been estimated. Cs atomic states that are weakly optically connected to ground have been shown to form excimer levels that are attractive as potential dissociation lasers. In particular, the (Cs/7 2S/Xe) excited molecule appears promising as a source of high energy laser radiation due to its large dissociation energy, stimulated emission cross section, and small population inversion densities. Monitoring of the optically pumped Cs2 molecular absorption profile in the presence of xenon shows a drastic change with increasing xenon pressure for the Cs2C band. Dominant absorption at large xenon densities is centered around approximately 6380 A as opposed to 6300 A for lower perturber pressure.

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

PubMed

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

2012-01-01

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

Density structure of the lithosphere in the southwestern United States and its tectonic significance

USGS Publications Warehouse

Kaban, M.K.; Mooney, W.D.

2001-01-01

We calculate a density model of the lithosphere of the southwestern United States through an integrated analysis of gravity, seismic refraction, drill hole, and geological data. Deviations from the average upper mantle density are as much as ?? 3%. A comparison with tomographic images of seismic velocities indicates that a substantial part (>50%) of these density variations is due to changes in composition rather than temperature. Pronounced mass deficits are found in the upper mantle under the Basin and Range Province and the northern part of the California Coast Ranges and adjacent ocean. The density structure of the northern and central/southern Sierra Nevada is remarkably different. The central/southern part is anomalous and is characterized by a relatively light crust underlain by a higher-density upper mantle that may be associated with a cold, stalled subducted plate. High densities are also determined within the uppermost mantle beneath the central Transverse Ranges and adjoining continental slope. The average density of the crystalline crust under the Great Valley and western Sierra Nevada is estimated to be up to 200 kg m~3 higher than the regional average, consistent with tectonic models for the obduction of oceanic crust and uppermost mantle in this region.

EQUATION OF STATE FOR NUCLEONIC AND HYPERONIC NEUTRON STARS WITH MASS AND RADIUS CONSTRAINTS

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

Tolos, Laura; Centelles, Mario; Ramos, Angels

We obtain a new equation of state for the nucleonic and hyperonic inner core of neutron stars that fulfils the 2 M {sub ⊙} observations as well as the recent determinations of stellar radii below 13 km. The nucleonic equation of state is obtained from a new parameterization of the FSU2 relativistic mean-field functional that satisfies these latest astrophysical constraints and, at the same time, reproduces the properties of nuclear matter and finite nuclei while fulfilling the restrictions on high-density matter deduced from heavy-ion collisions. On the one hand, the equation of state of neutron star matter is softened aroundmore » saturation density, which increases the compactness of canonical neutron stars leading to stellar radii below 13 km. On the other hand, the equation of state is stiff enough at higher densities to fulfil the 2 M {sub ⊙} limit. By a slight modification of the parameterization, we also find that the constraints of 2 M {sub ⊙} neutron stars with radii around 13 km are satisfied when hyperons are considered. The inclusion of the high magnetic fields present in magnetars further stiffens the equation of state. Hyperonic magnetars with magnetic fields in the surface of ∼10{sup 15} G and with values of ∼10{sup 18} G in the interior can reach maximum masses of 2 M {sub ⊙} with radii in the 12–13 km range.« less

Development of Advanced Li Rich xLi2MO3 (1-x)LiMO2 Composite Cathode for High Capacity Li Ion Batteries

DTIC Science & Technology

2016-12-22

importance. Among advanced energy storage devices, lithium - ion batteries are remarkable systems due to their high energy density, high power density...and well cycled performance with considerable reliability. Lithium - ion batteries have been playing an important role in various application fields...Li0.24Mn0.55Co0.14Ni0.07]O2 cathode material for lithium ion batteries . Solid State Ionics, 2013. 233: p. 12-19. DISTRIBUTION A. Approved for public release

Sensitivity of Rogue Waves Predictions to the Oceanic Stratification

NASA Astrophysics Data System (ADS)

Guo, Qiuchen; Alam, Mohammad-Reza

2014-11-01

Oceanic rogue waves are short-lived very large amplitude waves (a giant crest typically followed or preceded by a deep trough) that appear and disappear suddenly in the ocean causing damages to ships and offshore structures. Assuming that the state of the ocean at the present time is perfectly known, then the upcoming rogue waves can be predicted via numerically solving the equations that govern the evolution of the waves. The state of the art radar technology can now provide accurate wave height measurement over large spatial domains and when combined with advanced wave-field reconstruction techniques together render deterministic details of the current state of the ocean (i.e. surface elevation and velocity field) at any given moment of the time with a very high accuracy. The ocean water density is, however, stratified (mainly due to the salinity and temperature differences). This density stratification, with today's technology, is very difficult to be measured accurately. As a result in most predictive schemes these density variations are neglected. While the overall effect of the stratification on the average state of the ocean may not be significant, here we show that these density variations can strongly affect the prediction of oceanic rogue waves. Specifically, we consider a broadband oceanic spectrum in a two-layer density stratified fluid, and study via extensive statistical analysis the effects of strength of the stratification (difference between densities) and the depth of the thermocline on the prediction of upcoming rogue waves.

Crystallization of dense neutron matter

NASA Technical Reports Server (NTRS)

Canuto, V.; Chitre, S. M.

1974-01-01

The equation of state for cold neutron matter at high density is studied in the t-matrix formulation, and it is shown that energetically it is convenient to have neutrons in a crystalline configuration rather than in a liquid state for values of the density exceeding 1600 Tg/cu cm. The study of the mechanical properties indicates that the system is stable against shearing stresses. A solid core in the deep interior of heavy neutron stars appears to offer the most plausible explanation of speed-ups observed in the Vela pulsar.

CUGatesDensity—Quantum circuit analyser extended to density matrices

NASA Astrophysics Data System (ADS)

Loke, T.; Wang, J. B.

2013-12-01

CUGatesDensity is an extension of the original quantum circuit analyser CUGates (Loke and Wang, 2011) [7] to provide explicit support for the use of density matrices. The new package enables simulation of quantum circuits involving statistical ensemble of mixed quantum states. Such analysis is of vital importance in dealing with quantum decoherence, measurements, noise and error correction, and fault tolerant computation. Several examples involving mixed state quantum computation are presented to illustrate the use of this package. Catalogue identifier: AEPY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEPY_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5368 No. of bytes in distributed program, including test data, etc.: 143994 Distribution format: tar.gz Programming language: Mathematica. Computer: Any computer installed with a copy of Mathematica 6.0 or higher. Operating system: Any system with a copy of Mathematica 6.0 or higher installed. Classification: 4.15. Nature of problem: To simulate arbitrarily complex quantum circuits comprised of single/multiple qubit and qudit quantum gates with mixed state registers. Solution method: A density matrix representation for mixed states and a state vector representation for pure states are used. The construct is based on an irreducible form of matrix decomposition, which allows a highly efficient implementation of general controlled gates with multiple conditionals. Running time: The examples provided in the notebook CUGatesDensity.nb take approximately 30 s to run on a laptop PC.

On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: The anisole-ammonia 1:1 complex

NASA Astrophysics Data System (ADS)

Biczysko, Malgorzata; Piani, Giovanni; Pasquini, Massimiliano; Schiccheri, Nicola; Pietraperzia, Giangaetano; Becucci, Maurizio; Pavone, Michele; Barone, Vincenzo

2007-10-01

State-of-the-art spectroscopic and theoretical methods have been exploited in a joint effort to elucidate the subtle features of the structure and the energetics of the anisole-ammonia 1:1 complex, a prototype of microsolvation processes. Resonance enhanced multiphoton ionization and laser-induced fluorescence spectra are discussed and compared to high-level first-principles theoretical models, based on density functional, many body second order perturbation, and coupled cluster theories. In the most stable nonplanar structure of the complex, the ammonia interacts with the delocalized π electron density of the anisole ring: hydrogen bonding and dispersive forces provide a comparable stabilization energy in the ground state, whereas in the excited state the dispersion term is negligible because of electron density transfer from the oxygen to the aromatic ring. Ground and excited state geometrical parameters deduced from experimental data and computed by quantum mechanical methods are in very good agreement and allow us to unambiguously determine the molecular structure of the anisole-ammonia complex.

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

PubMed

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

2018-05-30

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

Extrapolation of the DIII-D high poloidal beta scenario to ITER steady-state using transport modeling

NASA Astrophysics Data System (ADS)

McClenaghan, J.; Garofalo, A. M.; Meneghini, O.; Smith, S. P.

2016-10-01

Transport modeling of a proposed ITER steady-state scenario based on DIII-D high βP discharges finds that the core confinement may be improved with either sufficient rotation or a negative central shear q-profile. The high poloidal beta scenario is characterized by a large bootstrap current fraction( 80%) which reduces the demands on the external current drive, and a large radius internal transport barrier which is associated with improved normalized confinement. Typical temperature and density profiles from the non-inductive high poloidal beta scenario on DIII-D are scaled according to 0D modeling predictions of the requirements for achieving Q=5 steady state performance in ITER with ``day one'' H&CD capabilities. Then, TGLF turbulence modeling is carried out under systematic variations of the toroidal rotation and the core q-profile. Either strong negative central magnetic shear or rotation are found to successfully provide the turbulence suppression required to maintain the temperature and density profiles. This work supported by the US Department of Energy under DE-FC02-04ER54698.

Ossicular density in golden moles (Chrysochloridae).

PubMed

Mason, Matthew J; Lucas, Sarah J; Wise, Erica R; Stein, Robin S; Duer, Melinda J

2006-12-01

The densities of middle ear ossicles of golden moles (family Chrysochloridae, order Afrosoricida) were measured using the buoyancy method. The internal structure of the malleus was examined by high-resolution computed tomography, and solid-state NMR was used to determine relative phosphorus content. The malleus density of the desert golden mole Eremitalpa granti (2.44 g/cm3) was found to be higher than that reported in the literature for any other terrestrial mammal, whereas the ossicles of other golden mole species are not unusually dense. The increased density in Eremitalpa mallei is apparently related both to a relative paucity of internal vascularization and to a high level of mineralization. This high density is expected to augment inertial bone conduction, used for the detection of seismic vibrations, while limiting the skull modifications needed to accommodate the disproportionately large malleus. The mallei of the two subspecies of E. granti, E. g. granti and E. g. namibensis, were found to differ considerably from one another in both size and shape.

Computing the Entropy of Kerr-Newman Black Hole Without Brick Walls Method

NASA Astrophysics Data System (ADS)

Zhang, Li-Chun; Wu, Yue-Qin; Li, Huai-Fan; Ren, Zhao

By using the entanglement entropy method, the statistical entropy of the Bose and Fermi fields in a thin film is calculated and the Bekenstein-Hawking entropy of Kerr-Newman black hole is obtained. Here, the Bose and Fermi fields are entangled with the quantum states in Kerr-Newman black hole and are outside of the horizon. The divergence of brick-wall model is avoided without any cutoff by the new equation of state density obtained with the generalized uncertainty principle. The calculation implies that the high density quantum states near the event horizon are strongly correlated with the quantum states in black hole. The black hole entropy is a quantum effect. It is an intrinsic characteristic of space-time. The ultraviolet cutoff in the brick-wall model is unreasonable. The generalized uncertainty principle should be considered in the high energy quantum field near the event horizon. From the calculation, the constant λ introduced in the generalized uncertainty principle is related to polar angle θ in an axisymmetric space-time.

Geographic variation in the relationship between human Lyme disease incidence and density of infected host-seeking Ixodes scapularis nymphs in the Eastern United States.

PubMed

Pepin, Kim M; Eisen, Rebecca J; Mead, Paul S; Piesman, Joseph; Fish, Durland; Hoen, Anne G; Barbour, Alan G; Hamer, Sarah; Diuk-Wasser, Maria A

2012-06-01

Prevention and control of Lyme disease is difficult because of the complex biology of the pathogen's (Borrelia burgdorferi) vector (Ixodes scapularis) and multiple reservoir hosts with varying degrees of competence. Cost-effective implementation of tick- and host-targeted control methods requires an understanding of the relationship between pathogen prevalence in nymphs, nymph abundance, and incidence of human cases of Lyme disease. We quantified the relationship between estimated acarological risk and human incidence using county-level human case data and nymphal prevalence data from field-derived estimates in 36 eastern states. The estimated density of infected nymphs (mDIN) was significantly correlated with human incidence (r = 0.69). The relationship was strongest in high-prevalence areas, but it varied by region and state, partly because of the distribution of B. burgdorferi genotypes. More information is needed in several high-prevalence states before DIN can be used for cost-effectiveness analyses.

The density-matrix renormalization group: a short introduction.

PubMed

Schollwöck, Ulrich

2011-07-13

The density-matrix renormalization group (DMRG) method has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. The DMRG is a method that shares features of a renormalization group procedure (which here generates a flow in the space of reduced density operators) and of a variational method that operates on a highly interesting class of quantum states, so-called matrix product states (MPSs). The DMRG method is presented here entirely in the MPS language. While the DMRG generally fails in larger two-dimensional systems, the MPS picture suggests a straightforward generalization to higher dimensions in the framework of tensor network states. The resulting algorithms, however, suffer from difficulties absent in one dimension, apart from a much more unfavourable efficiency, such that their ultimate success remains far from clear at the moment.

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

NASA Astrophysics Data System (ADS)

Sjostrom, Travis; Crockett, Scott

2018-05-01

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

Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe2

NASA Astrophysics Data System (ADS)

Hellgren, Maria; Baima, Jacopo; Bianco, Raffaello; Calandra, Matteo; Mauri, Francesco; Wirtz, Ludger

2017-10-01

We show that the inclusion of screened exchange via hybrid functionals provides a unified description of the electronic and vibrational properties of TiSe2 . In contrast to local approximations in density functional theory, the explicit inclusion of exact, nonlocal exchange captures the effects of the electron-electron interaction needed to both separate the Ti -d states from the Se -p states and stabilize the charge-density-wave (CDW) (or low-T ) phase through the formation of a p -d hybridized state. We further show that this leads to an enhanced electron-phonon coupling that can drive the transition even if a small gap opens in the high-T phase. Finally, we demonstrate that the hybrid functionals can generate a CDW phase where the electronic bands, the geometry, and the phonon frequencies are in agreement with experiments.

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.

Number-Density Measurements of CO2 in Real Time with an Optical Frequency Comb for High Accuracy and Precision

NASA Astrophysics Data System (ADS)

Scholten, Sarah K.; Perrella, Christopher; Anstie, James D.; White, Richard T.; Al-Ashwal, Waddah; Hébert, Nicolas Bourbeau; Genest, Jérôme; Luiten, Andre N.

2018-05-01

Real-time and accurate measurements of gas properties are highly desirable for numerous real-world applications. Here, we use an optical-frequency comb to demonstrate absolute number-density and temperature measurements of a sample gas with state-of-the-art precision and accuracy. The technique is demonstrated by measuring the number density of 12C16O2 with an accuracy of better than 1% and a precision of 0.04% in a measurement and analysis cycle of less than 1 s. This technique is transferable to numerous molecular species, thus offering an avenue for near-universal gas concentration measurements.

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.

Workshop on High Power ICH Antenna Designs for High Density Tokamaks

NASA Astrophysics Data System (ADS)

Aamodt, R. E.

1990-02-01

A workshop in high power ICH antenna designs for high density tokamaks was held to: (1) review the data base relevant to the high power heating of high density tokamaks; (2) identify the important issues which need to be addressed in order to ensure the success of the ICRF programs on CIT and Alcator C-MOD; and (3) recommend approaches for resolving the issues in a timely realistic manner. Some specific performance goals for the antenna system define a successful design effort. Simply stated these goals are: couple the specified power per antenna into the desired ion species; produce no more than an acceptable level of RF auxiliary power induced impurities; and have a mechanical structure which safely survives the thermal, mechanical and radiation stresses in the relevant environment. These goals are intimately coupled and difficult tradeoffs between scientific and engineering constraints have to be made.

A Simple Method for Determination of the Density of Granular Materials

ERIC Educational Resources Information Center

Tsutsumanova, G. G.; Kirilov, K. M.; Russev, S. C.

2012-01-01

A simple experiment using low cost equipment for the determination of the density of granular materials, without immersing them in a liquid, is presented. It is based only on the ideal gas state equation, so it is a good experimental task for undergraduate and high school students. (Contains 2 tables and 5 figures.)

Negative hydrogen ions in a linear helicon plasma device

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

An Introduction to System-Level, Steady-State and Transient Modeling and Optimization of High-Power-Density Thermoelectric Generator Devices Made of Segmented Thermoelectric Elements

NASA Astrophysics Data System (ADS)

Crane, D. T.

2011-05-01

High-power-density, segmented, thermoelectric (TE) elements have been intimately integrated into heat exchangers, eliminating many of the loss mechanisms of conventional TE assemblies, including the ceramic electrical isolation layer. Numerical models comprising simultaneously solved, nonlinear, energy balance equations have been created to simulate these novel architectures. Both steady-state and transient models have been created in a MATLAB/Simulink environment. The models predict data from experiments in various configurations and applications over a broad range of temperature, flow, and current conditions for power produced, efficiency, and a variety of other important outputs. Using the validated models, devices and systems are optimized using advanced multiparameter optimization techniques. Devices optimized for particular steady-state operating conditions can then be dynamically simulated in a transient operating model. The transient model can simulate a variety of operating conditions including automotive and truck drive cycles.

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

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

DOE PAGES

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-28

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

Compton profiles and electronic properties of TiB{sub 2}

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

Bhatt, Samir, E-mail: sameerbhatt011@gmail.com; Suthar, K. K.; Ahuja, B. L.

In this paper, we report the experimental Compton profile (CP) of TiB{sub 2} using high energy {sup 137}Cs γ-rays Compton spectrometer. To interpret the experimental momentum density, we have calculated the CPs using Hartree-Fock (HF), density functional theory (DFT) and hybridization of DFT and HF within linear combination of atomic orbitals. The theoretical profile with generalized gradient approximation is found to be relatively in better agreement with the experimental profile. A sharp valley in density of states and hence the pseudogap near the Fermi energy is attributed to hybridization of Ti-3d and B-2p states and almost reverse trend of energymore » bands below and above the Fermi energy.« less

Coupled Leidenfrost states as a monodisperse granular clock

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

Release adiabat measurements on minerals: The effect of viscosity

NASA Technical Reports Server (NTRS)

Jeanloz, R.; Ahrens, T. J.

1979-01-01

The current inversion of pressure-particle velocity data for release from a high pressure shock state to a pressure-density path is analyzed. It is assumed that the release process is isentropic. It was shown that for geological materials below stresses of 150 GPa, the effective viscosity must be 1000 kg/m/s in order that the viscous (irreversible) work carried out on the material in the shock state remains small compared to the mechanical work recovered upon adiabatic rarefaction. The available data pertaining to the offset of the Rayleigh line from the Hugoniot for minerals, the magnitude of the shear stress in the high pressure shock state for minerals, and the direct measurements of the viscosities of several engineering materials shocked to pressures below 150 GPa yield effective viscosities of 1000 kg/m/s or less. An inferance that this indicates that the conditions for isentropic release of minerals from shock states are achieved, and a conclusion that the application of the Riemann integral to obtain pressure-density states along the release adiabats of minerals in shock experiments is valid are made.

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2011 CFR

2011-10-01

... meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population density... prioritized beginning with the State with the lowest population density. Population density is determined...

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2010 CFR

2010-10-01

... meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population density... prioritized beginning with the State with the lowest population density. Population density is determined...

Causes of High-temperature Superconductivity in the Hydrogen Sulfide Electron-phonon System

NASA Astrophysics Data System (ADS)

Degtyarenko, N. N.; Mazur, E. A.

The electron and phonon spectra, as well as the density of electron and phonon states of the stable orthorhombic structure of hydrogen sulfide (SH2) at pressures 100-180 GPa have been calculated. It is found that the set of parallel planes of hydrogen atoms is formed at pressure ∼175 GPa as a result of structural changes in the unit cell of the crystal under pressure. There should be complete concentration of hydrogen atoms in these planes. As a result the electron properties of the system acquire a quasi-two-dimensional character. The features of in phase and antiphase oscillations of hydrogen atoms in these planes leading to two narrow high-energy peaks in the phonon density of states are investigated.

Reasons for high-temperature superconductivity in the electron-phonon system of hydrogen sulfide

NASA Astrophysics Data System (ADS)

Degtyarenko, N. N.; Mazur, E. A.

2015-08-01

We have calculated the electron and phonon spectra, as well as the densities of the electron and phonon states, of the stable orthorhombic structure of hydrogen sulfide SH2 in the pressure interval 100-180 GPa. It is found that at a pressure of 175 GPa, a set of parallel planes of hydrogen atoms is formed due to a structural modification of the unit cell under pressure with complete accumulation of all hydrogen atoms in these planes. As a result, the electronic properties of the system become quasi-two-dimensional. We have also analyzed the collective synphase and antiphase vibrations of hydrogen atoms in these planes, leading to the occurrence of two high-energy peaks in the phonon density of states.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations.

PubMed

Morales, Miguel A; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D M

2010-07-20

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics.

Ternary Free-Energy Entropic Lattice Boltzmann Model with a High Density Ratio

NASA Astrophysics Data System (ADS)

Wöhrwag, M.; Semprebon, C.; Mazloomi Moqaddam, A.; Karlin, I.; Kusumaatmaja, H.

2018-06-01

A thermodynamically consistent free energy model for fluid flows comprised of one gas and two liquid components is presented and implemented using the entropic lattice Boltzmann scheme. The model allows a high density ratio, up to the order of O (103), between the liquid and gas phases, and a broad range of surface tension ratios, covering partial wetting states where Neumann triangles are formed, and full wetting states where complete encapsulation of one of the fluid components is observed. We further demonstrate that we can capture the bouncing, adhesive, and insertive regimes for the binary collisions between immiscible droplets suspended in air. Our approach opens up a vast range of multiphase flow applications involving one gas and several liquid components.

Polyamorphism in tetrahedral substances: Similarities between silicon and ice

NASA Astrophysics Data System (ADS)

Garcez, K. M. S.; Antonelli, A.

2015-07-01

Tetrahedral substances, such as silicon, water, germanium, and silica, share various unusual phase behaviors. Among them, the so-called polyamorphism, i.e., the existence of more than one amorphous form, has been intensively investigated in the last three decades. In this work, we study the metastable relations between amorphous states of silicon in a wide range of pressures, using Monte Carlo simulations. Our results indicate that the two amorphous forms of silicon at high pressures, the high density amorphous (HDA) and the very high density amorphous (VHDA), can be decompressed from high pressure (˜20 GPa) down to the tensile regime, where both convert into the same low density amorphous. Such behavior is also observed in ice. While at high pressure (˜20 GPa), HDA is less stable than VHDA, at the pressure of 10 GPa both forms exhibit similar stability. On the other hand, at much lower pressure (˜5 GPa), HDA and VHDA are no longer the most stable forms, and, upon isobaric annealing, an even less dense form of amorphous silicon emerges, the expanded high density amorphous, again in close similarity to what occurs in ice.

Direct detection of density of gap states in C60 single crystals by photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Bussolotti, Fabio; Yang, Janpeng; Hiramoto, Masahiro; Kaji, Toshihiko; Kera, Satoshi; Ueno, Nobuo

2015-09-01

We report on the direct and quantitative evaluation of density of gap states (DOGS) in large-size C60 single crystals by using ultralow-background, high-sensitivity ultraviolet photoemission spectroscopy. The charging of the crystals during photoionization was overcome using photoconduction induced by simultaneous laser irradiation. By comparison with the spectra of as-deposited and gas exposed C60 thin films the following results were found: (i) The DOGS near the highest occupied molecular orbital edge in the C60 single crystals (1019-1021states e V-1c m-3) mainly originates from the exposure to inert and ambient gas atmosphere during the sample preparation, storage, and transfer; (ii) the contribution of other sources of gap states such as structural imperfections at grain boundaries is negligible (<1018states e V-1c m-3) .

Density-of-state oscillation of quasiparticle excitation in the spin density wave phase of (TMTSF)2ClO4.

PubMed

Uji, S; Kimata, M; Moriyama, S; Yamada, J; Graf, D; Brooks, J S

2010-12-31

Systematic measurements of the magnetocaloric effect, heat capacity, and magnetic torque under a high magnetic field up to 35 T are performed in the spin density wave (SDW) phase of a quasi-one-dimensional organic conductor (TMTSF)2ClO4. In the SDW phase above 26 T, where the quantum Hall effect is broken, rapid oscillations (ROs) in these thermodynamic quantities are observed, which provides clear evidence of the density-of-state (DOS) oscillation near the Fermi level. The resistance is semiconducting and the heat capacity divided by temperature is extrapolated to zero at 0 K in the SDW phase, showing that all the energy bands are gapped, and there is no DOS at the Fermi level. The results show that the ROs are ascribed to the DOS oscillation of the quasiparticle excitation.

The Effects of Prior Cold Work on the Shock Response of Copper

NASA Astrophysics Data System (ADS)

Millett, J. C. F.; Higgins, D. L.; Chapman, D. J.; Whiteman, G.; Jones, I. P.; Chiu, Y.-L.

2018-04-01

A series of experiments have been performed to probe the effects of dislocation density on the shock response of copper. The shear strength immediately behind the shock front has been measured using embedded manganin stress gauges, whilst the post shock microstructural and mechanical response has been monitored via one-dimensional recovery experiments. Material in the half hard (high dislocation density) condition was shown to have both a higher shear strength and higher rate of change of shear strength with impact stress than its annealed (low dislocation density) counterpart. Microstructural analysis showed a much higher dislocation density in the half hard material compared to the annealed after shock loading, whilst post shock mechanical examination showed a significant degree of hardening in the annealed state with reduced, but still significant amount in the half hard state, thus showing a correlation between temporally resolved stress gauge measurements and post shock microstructural and mechanical properties.

3-V Solid-State Flexible Supercapacitors with Ionic-Liquid-Based Polymer Gel Electrolyte for AC Line Filtering.

PubMed

Kang, Yu Jin; Yoo, Yongju; Kim, Woong

2016-06-08

State-of-the-art solid-state flexible supercapacitors with sufficiently fast response speed for AC line filtering application suffer from limited energy density. One of the main causes of the low energy density is the low cell voltage (1 V), which is limited by aqueous-solution-based gel electrolytes. In this work, we demonstrate for the first time a 3-V flexible supercapacitor for AC line filtering based on an ionic-liquid-based polymer gel electrolyte and carbon nanotube electrode material. The flexible supercapacitor exhibits an areal energy density that is more than 20 times higher than that of the previously demonstrated 1-V flexible supercapacitor (0.66 vs 0.03 μWh/cm(2)) while maintaining excellent capacitive behavior at 120 Hz. The supercapacitor shows a maximum areal power density of 1.5 W/cm(2) and a time constant of 1 ms. The improvement of the cell voltage while maintaining the fast-response capability greatly improves the potential of supercapacitors for high-frequency applications in wearable and/or portable electronics.

Transforming Pristine Carbon Fiber Tows into High Performance Solid-State Fiber Supercapacitors.

PubMed

Yu, Dingshan; Zhai, Shengli; Jiang, Wenchao; Goh, Kunli; Wei, Li; Chen, Xudong; Jiang, Rongrong; Chen, Yuan

2015-09-02

A facile activation strategy can transform pristine carbon fiber tows into high-performance fiber electrodes with a specific capacitance of 14.2 F cm(-3) . The knottable fiber supercapacitor shows an energy density of 0.35 mW h cm(-3) , an ultrahigh power density of 3000 mW cm(-3) , and a remarkable capacitance retention of 68%, when the scan rate increases from 10 to 1000 mV s(-1) . © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Density Variations in the Earth's Magnetospheric Cusps

NASA Technical Reports Server (NTRS)

Walsh, B. M.; Niehof, J.; Collier, M. R.; Welling, D. T.; Sibeck, D. G.; Mozer, F. S.; Fritz, T. A.; Kuntz, K. D.

2016-01-01

Seven years of measurements from the Polar spacecraft are surveyed to monitor the variations of plasma density within the magnetospheric cusps. The spacecraft's orbital precession from 1998 through 2005 allows for coverage of both the northern and southern cusps from low altitude out to the magnetopause. In the mid- and high- altitude cusps, plasma density scales well with the solar wind density (n(sub cusp)/n(sub sw) approximately 0.8). This trend is fairly steady for radial distances greater then 4 R(sub E). At low altitudes (r less than 4R(sub E)) the density increases with decreasing altitude and even exceeds the solar wind density due to contributions from the ionosphere. The density of high charge state oxygen (O(greater +2) also displays a positive trend with solar wind density within the cusp. A multifluid simulation with the Block-Adaptive-Tree Solar Wind Roe-Type Upwind Scheme MHD model was run to monitor the relative contributions of the ionosphere and solar wind plasma within the cusp. The simulation provides similar results to the statistical measurements from Polar and confirms the presence of ionospheric plasma at low altitudes.

Escape from the competence state in Streptococcus mutans is governed by the bacterial population density.

PubMed

Dufour, D; Villemin, C; Perry, J A; Lévesque, C M

2016-12-01

Horizontal gene transfer through natural DNA transformation is an important evolutionary mechanism among bacteria. Transformation requires that the bacteria are physiologically competent to take and incorporate free DNA directly from the environment. Although natural genetic transformation is a remarkable feature of many naturally competent bacteria, the process is energetically expensive for the cells. Consequently, a tight control of the competence state is necessary. The objective of the present work was to help decipher the molecular mechanisms regulating the escape from the competence state in Streptococcus mutans, the principal etiological agent responsible for tooth decay in humans. Our results showed that the cessation of competence in S. mutans was abrupt, and did not involve the accumulation of a competence inhibitor nor the depletion of a competence activator in the extracellular environment. The competence state was repressed at high cell population density via concomitant repression of sigX gene encoding the master regulator of the competence regulon. Co-culture experiments performed with oral and non-oral bacteria showed that S. mutans assesses its own population density and also the microbial density of its surroundings to regulate its competence escape. Interestingly, neither the intra-species and extra-species quorum-sensing systems nor the other 13 two-component regulatory systems identified in S. mutans were involved in the cell-density-dependent escape of the competence state. Altogether, our results suggest a complex mechanism regulating the competence shut-off involving cell-density-dependent repression of sigX through an as yet undefined system, and possibly SigX protein stability. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Absolute Hugoniot measurements from a spherically convergent shock using x-ray radiography

NASA Astrophysics Data System (ADS)

Swift, Damian C.; Kritcher, Andrea L.; Hawreliak, James A.; Lazicki, Amy; MacPhee, Andrew; Bachmann, Benjamin; Döppner, Tilo; Nilsen, Joseph; Collins, Gilbert W.; Glenzer, Siegfried; Rothman, Stephen D.; Kraus, Dominik; Falcone, Roger W.

2018-05-01

The canonical high pressure equation of state measurement is to induce a shock wave in the sample material and measure two mechanical properties of the shocked material or shock wave. For accurate measurements, the experiment is normally designed to generate a planar shock which is as steady as possible in space and time, and a single state is measured. A converging shock strengthens as it propagates, so a range of shock pressures is induced in a single experiment. However, equation of state measurements must then account for spatial and temporal gradients. We have used x-ray radiography of spherically converging shocks to determine states along the shock Hugoniot. The radius-time history of the shock, and thus its speed, was measured by radiographing the position of the shock front as a function of time using an x-ray streak camera. The density profile of the shock was then inferred from the x-ray transmission at each instant of time. Simultaneous measurement of the density at the shock front and the shock speed determines an absolute mechanical Hugoniot state. The density profile was reconstructed using the known, unshocked density which strongly constrains the density jump at the shock front. The radiographic configuration and streak camera behavior were treated in detail to reduce systematic errors. Measurements were performed on the Omega and National Ignition Facility lasers, using a hohlraum to induce a spatially uniform drive over the outside of a solid, spherical sample and a laser-heated thermal plasma as an x-ray source for radiography. Absolute shock Hugoniot measurements were demonstrated for carbon-containing samples of different composition and initial density, up to temperatures at which K-shell ionization reduced the opacity behind the shock. Here we present the experimental method using measurements of polystyrene as an example.

A Rechargeable High-Temperature Molten Salt Iron-Oxygen Battery.

PubMed

Peng, Cheng; Guan, Chengzhi; Lin, Jun; Zhang, Shiyu; Bao, Hongliang; Wang, Yu; Xiao, Guoping; Chen, George Zheng; Wang, Jian-Qiang

2018-06-11

The energy and power density of conventional batteries are far lower than their theoretical expectations, primarily because of slow reaction kinetics that are often observed under ambient conditions. Here we describe a low-cost and high-temperature rechargeable iron-oxygen battery containing a bi-phase electrolyte of molten carbonate and solid oxide. This new design merges the merits of a solid-oxide fuel cell and molten metal-air battery, offering significantly improved battery reaction kinetics and power capability without compromising the energy capacity. The as-fabricated battery prototype can be charged at high current density, and exhibits excellent stability and security in the highly charged state. It typically exhibits specific energy, specific power, energy density, and power density of 129.1 Wh kg -1 , 2.8 kW kg -1 , 388.1 Wh L -1 , and 21.0 kW L -1 , respectively, based on the mass and volume of the molten salt. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Predictive modelling of JT-60SA high-beta steady-state plasma with impurity accumulation

NASA Astrophysics Data System (ADS)

Hayashi, N.; Hoshino, K.; Honda, M.; Ide, S.

2018-06-01

The integrated modelling code TOPICS has been extended to include core impurity transport, and applied to predictive modelling of JT-60SA high-beta steady-state plasma with the accumulation of impurity seeded to reduce the divertor heat load. In the modelling, models and conditions are selected for a conservative prediction, which considers a lower bound of plasma performance with the maximum accumulation of impurity. The conservative prediction shows the compatibility of impurity seeding with core plasma with high-beta (β N  >  3.5) and full current drive conditions, i.e. when Ar seeding reduces the divertor heat load below 10 MW m‑2, its accumulation in the core is so moderate that the core plasma performance can be recovered by additional heating within the machine capability to compensate for Ar radiation. Due to the strong dependence of accumulation on the pedestal density gradient, high separatrix density is important for the low accumulation as well as the low divertor heat load. The conservative prediction also shows that JT-60SA has enough capability to explore the divertor heat load control by impurity seeding in high-beta steady-state plasmas.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Bypassing the malfunction junction in warm dense matter simulations

NASA Astrophysics Data System (ADS)

Cangi, Attila; Pribram-Jones, Aurora

2015-03-01

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

Solid-State High Performance Flexible Supercapacitors Based on Polypyrrole-MnO2-Carbon Fiber Hybrid Structure

PubMed Central

Tao, Jiayou; Liu, Nishuang; Ma, Wenzhen; Ding, Longwei; Li, Luying; Su, Jun; Gao, Yihua

2013-01-01

A solid-state flexible supercapacitor (SC) based on organic-inorganic composite structure was fabricated through an “in situ growth for conductive wrapping” and an electrode material of polypyrrole (PPy)-MnO2 nanoflakes-carbon fiber (CF) hybrid structure was obtained. The conductive organic material of PPy greatly improved the electrochemical performance of the device. With a high specific capacitance of 69.3 F cm−3 at a discharge current density of 0.1 A cm−3 and an energy density of 6.16 × 10−3 Wh cm−3 at a power density of 0.04 W cm−3, the device can drive a commercial liquid crystal display (LCD) after being charged. The organic-inorganic composite active materials have enormous potential in energy management and the “in situ growth for conductive wrapping” method might be generalized to open up new strategies for designing next-generation energy storage devices. PMID:23884478

An All-Solid-State Fiber-Shaped Aluminum-Air Battery with Flexibility, Stretchability, and High Electrochemical Performance.

PubMed

Xu, Yifan; Zhao, Yang; Ren, Jing; Zhang, Ye; Peng, Huisheng

2016-07-04

Owing to the high theoretical energy density of metal-air batteries, the aluminum-air battery has been proposed as a promising long-term power supply for electronics. However, the available energy density from the aluminum-air battery is far from that anticipated and is limited by current electrode materials. Herein we described the creation of a new family of all-solid-state fiber-shaped aluminum-air batteries with a specific capacity of 935 mAh g(-1) and an energy density of 1168 Wh kg(-1) . The synthesis of an electrode composed of cross-stacked aligned carbon-nanotube/silver-nanoparticle sheets contributes to the remarkable electrochemical performance. The fiber shape also provides the aluminum-air batteries with unique advantages; for example, they are flexible and stretchable and can be woven into a variety of textiles for large-scale applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Holography and thermalization in optical pump-probe spectroscopy

NASA Astrophysics Data System (ADS)

Bagrov, A.; Craps, B.; Galli, F.; Keränen, V.; Keski-Vakkuri, E.; Zaanen, J.

2018-04-01

Using holography, we model experiments in which a 2 +1 D strange metal is pumped by a laser pulse into a highly excited state, after which the time evolution of the optical conductivity is probed. We consider a finite-density state with mildly broken translation invariance and excite it by oscillating electric field pulses. At zero density, the optical conductivity would assume its thermalized value immediately after the pumping has ended. At finite density, pulses with significant dc components give rise to slow exponential relaxation, governed by a vector quasinormal mode. In contrast, for high-frequency pulses the amplitude of the quasinormal mode is strongly suppressed, so that the optical conductivity assumes its thermalized value effectively instantaneously. This surprising prediction may provide a stimulus for taking up the challenge to realize these experiments in the laboratory. Such experiments would test a crucial open question faced by applied holography: are its predictions artifacts of the large N limit or do they enjoy sufficient UV independence to hold at least qualitatively in real-world systems?

Levels of high-density lipoprotein cholesterol (HDL-C) among children with steady-state sickle cell disease

PubMed Central

2010-01-01

Background The search for sickle cell disease (SCD) prognosis biomarkers is a challenge. These markers identification can help to establish further therapy, later severe clinical complications and with patients follow-up. We attempted to study a possible involvement of levels of high-density lipoprotein cholesterol (HDL-C) in steady-state children with SCD, once that this lipid marker has been correlated with anti-inflammatory, anti-oxidative, anti-aggregation, anti-coagulant and pro-fibrinolytic activities, important aspects to be considered in sickle cell disease pathogenesis. Methods We prospectively analyzed biochemical, inflammatory and hematological biomarkers of 152 steady-state infants with SCD and 132 healthy subjects using immunochemistry, immunoassay and electronic cell counter respectively. Clinical data were collected from patient medical records. Results Of the 152 infants investigated had a significant positive association of high-density lipoprotein cholesterol with hemoglobin (P < 0.001), hematocrit (P < 0.001) and total cholesterol (P < 0.001) and a negative significant association with reticulocytes (P = 0.046), leukocytes (P = 0.015), monocytes (P = 0.004) and platelets (P = 0.005), bilirubins [total bilirubin (P < 0.001), direct bilirubin (P < 0.001) and indirect bilirubin (P < 0.001], iron (P < 0.001), aminotransferases [aspartate aminotransferase (P = 0.004), alanine aminotransferase (P = 0.035)], lactate dehydrogenase (P < 0.001), urea (P = 0.030), alpha 1-antitrypsin (P < 0.001), very low-density lipoprotein cholesterol (P = 0.003), triglycerides (P = 0.005) and hemoglobin S (P = 0.002). Low high-density lipoprotein cholesterol concentration was associated with the history of cardiac abnormalities (P = 0.025), pneumonia (P = 0.033) and blood transfusion use (P = 0.025). Lipids and inflammatory markers were associated with the presence of cholelithiasis. Conclusions We hypothesize that some SCD patients can have a specific dyslipidemic subphenotype characterized by low HDL-C with hypertriglyceridemia and high VLDL-C in association with other biomarkers, including those related to inflammation. This represents an important step toward a more reliable clinical prognosis. Additional studies are warranted to test this hypothesis and the probably mechanisms involved in this complex network of markers and their role in SCD pathogenesis. PMID:20799970

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

DOE PAGES

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

2015-11-16

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

WSN-Based Space Charge Density Measurement System

PubMed Central

Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

2017-01-01

It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density. PMID:28052105

WSN-Based Space Charge Density Measurement System.

PubMed

Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

2017-01-01

It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density.

Diffusive dynamics during the high-to-low density transition in amorphous ice

DOE PAGES

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkuhler, Felix; ...

2017-06-26

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distributionmore » function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. In conclusion, the diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid–liquid transition in the ultraviscous regime.« less

Diffusive dynamics during the high-to-low density transition in amorphous ice

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

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkuhler, Felix

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distributionmore » function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. In conclusion, the diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid–liquid transition in the ultraviscous regime.« less

Diffusive dynamics during the high-to-low density transition in amorphous ice

NASA Astrophysics Data System (ADS)

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix; Sprung, Michael; Mariedahl, Daniel; Sellberg, Jonas A.; Pathak, Harshad; Späh, Alexander; Cavalca, Filippo; Schlesinger, Daniel; Ricci, Alessandro; Jain, Avni; Massani, Bernhard; Aubree, Flora; Benmore, Chris J.; Loerting, Thomas; Grübel, Gerhard; Pettersson, Lars G. M.; Nilsson, Anders

2017-08-01

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distribution function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. The diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid-liquid transition in the ultraviscous regime.

Defect assistant band alignment transition from staggered to broken gap in mixed As/Sb tunnel field effect transistor heterostructure

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

Zhu, Y.; Jain, N.; Vijayaraghavan, S.

2012-11-01

The compositional dependence of effective tunneling barrier height (E{sub beff}) and defect assisted band alignment transition from staggered gap to broken gap in GaAsSb/InGaAs n-channel tunnel field effect transistor (TFET) structures were demonstrated by x-ray photoelectron spectroscopy (XPS). High-resolution x-ray diffraction measurements revealed that the active layers are internally lattice matched. The evolution of defect properties was evaluated using cross-sectional transmission electron microscopy. The defect density at the source/channel heterointerface was controlled by changing the interface properties during growth. By increasing indium (In) and antimony (Sb) alloy compositions from 65% to 70% in In{sub x}Ga{sub 1-x}As and 60% to 65%more » in GaAs{sub 1-y}Sb{sub y} layers, the E{sub beff} was reduced from 0.30 eV to 0.21 eV, respectively, with the low defect density at the source/channel heterointerface. The transfer characteristics of the fabricated TFET device with an E{sub beff} of 0.21 eV show 2 Multiplication-Sign improvement in ON-state current compared to the device with E{sub beff} of 0.30 eV. On contrary, the value of E{sub beff} was decreased from 0.21 eV to -0.03 eV due to the presence of high defect density at the GaAs{sub 0.35}Sb{sub 0.65}/In{sub 0.7}Ga{sub 0.3}As heterointerface. As a result, the band alignment was converted from staggered gap to broken gap, which leads to 4 orders of magnitude increase in OFF-state leakage current. Therefore, a high quality source/channel interface with a properly selected E{sub beff} and well maintained low defect density is necessary to obtain both high ON-state current and low OFF-state leakage in a mixed As/Sb TFET structure for high-performance and lower-power logic applications.« less

Density of jadeite melt under upper mantle conditions from in-situ X-ray micro-tomography measurements

NASA Astrophysics Data System (ADS)

Jing, Z.; Xu, M.; Jiang, P.; Yu, T.; Wang, Y.

2017-12-01

Knowledge of the density of silicate melts under high pressure conditions is important to our understanding of the stability and migration of melt layers in the Earth's deep mantle. A wide range of silicate melts have been studied at high pressures using the sink/float technique (e.g., Agee and Walker, 1988) and the X-ray absorption technique (e.g., Sakamaki et al, 2009). However, the effect of the Na2O component on high-pressure melt density has not been fully quantified, despite its likely presence in mantle melts. This is partly due to the experimental challenges that the Na-bearing melts often have relatively low density but high viscosity, both of which make it difficult to study using the above-mentioned techniques. In this study, we have developed a new technique based on X-ray micro-tomography to determine the density of melts at high pressures. In this technique, the volume of a melt is directly measured from the reconstructed 3-D images of the sample using computed X-ray micro-tomography. If the mass of the sample is measured using a balance or estimated from a reference density, then the density of the melt at high pressures can be calculated. Using this technique, we determined the density of jadeite melt (NaAlSi2O6) at high pressures up to 4 GPa in a Paris-Edinburg cell that can be rotated for 180 degrees under pressure. Results show that the Na2O component significantly decreases both the density and bulk modulus of silicate melts at high pressures. These data can be incorporated into a hard-sphere equation of state (Jing and Karato, 2011) to model the effect of the Na2O component on the potential density crossovers between melts produced in the mantle and the residual solid.

High Density Aerial Image Matching: State-Of and Future Prospects

NASA Astrophysics Data System (ADS)

Haala, N.; Cavegn, S.

2016-06-01

Ongoing innovations in matching algorithms are continuously improving the quality of geometric surface representations generated automatically from aerial images. This development motivated the launch of the joint ISPRS/EuroSDR project "Benchmark on High Density Aerial Image Matching", which aims on the evaluation of photogrammetric 3D data capture in view of the current developments in dense multi-view stereo-image matching. Originally, the test aimed on image based DSM computation from conventional aerial image flights for different landuse and image block configurations. The second phase then put an additional focus on high quality, high resolution 3D geometric data capture in complex urban areas. This includes both the extension of the test scenario to oblique aerial image flights as well as the generation of filtered point clouds as additional output of the respective multi-view reconstruction. The paper uses the preliminary outcomes of the benchmark to demonstrate the state-of-the-art in airborne image matching with a special focus of high quality geometric data capture in urban scenarios.

A high speed PE-ALD ZnO Schottky diode rectifier with low interface-state density

NASA Astrophysics Data System (ADS)

Jin, Jidong; Zhang, Jiawei; Shaw, Andrew; Kudina, Valeriya N.; Mitrovic, Ivona Z.; Wrench, Jacqueline S.; Chalker, Paul R.; Balocco, Claudio; Song, Aimin; Hall, Steve

2018-02-01

Zinc oxide (ZnO) has recently attracted attention for its potential application to high speed electronics. In this work, a high speed Schottky diode rectifier was fabricated based on a ZnO thin film deposited by plasma-enhanced atomic layer deposition and a PtOx Schottky contact deposited by reactive radio-frequency sputtering. The rectifier shows an ideality factor of 1.31, an effective barrier height of 0.79 eV, a rectification ratio of 1.17  ×  107, and cut-off frequency as high as 550 MHz. Low frequency noise measurements reveal that the rectifier has a low interface-state density of 5.13  ×  1012 cm-2 eV-1, and the noise is dominated by the mechanism of a random walk of electrons at the PtO x /ZnO interface. The work shows that the rectifier can be used for both noise sensitive and high frequency electronics applications.

On-Chip Sorting of Long Semiconducting Carbon Nanotubes for Multiple Transistors along an Identical Array.

PubMed

Otsuka, Keigo; Inoue, Taiki; Maeda, Etsuo; Kometani, Reo; Chiashi, Shohei; Maruyama, Shigeo

2017-11-28

Ballistic transport and sub-10 nm channel lengths have been achieved in transistors containing one single-walled carbon nanotube (SWNT). To fill the gap between single-tube transistors and high-performance logic circuits for the replacement of silicon, large-area, high-density, and purely semiconducting (s-) SWNT arrays are highly desired. Here we demonstrate the fabrication of multiple transistors along a purely semiconducting SWNT array via an on-chip purification method. Water- and polymer-assisted burning from site-controlled nanogaps is developed for the reliable full-length removal of metallic SWNTs with the damage to s-SWNTs minimized even in high-density arrays. All the transistors with various channel lengths show large on-state current and excellent switching behavior in the off-state. Since our method potentially provides pure s-SWNT arrays over a large area with negligible damage, numerous transistors with arbitrary dimensions could be fabricated using a conventional semiconductor process, leading to SWNT-based logic, high-speed communication, and other next-generation electronic devices.

Thermoelectronic transport through spin-crossover single molecule Fe[(H2Bpz2)2bipy

NASA Astrophysics Data System (ADS)

Liu, N.; Zhu, L.; Yao, K. L.

2018-04-01

By means of density functional theory combined with the method of Keldysh nonequilibrium Green’s function, the thermal transport properties of high- and low-spin states of mononuclear FeII molecules with spin-crossover characteristics are studied. It is found that the high-spin molecular junction has a larger current than the low-spin one, producing thermally-induced switching effect. Furthermore, for high spin state molecule, the spin-up thermo-current is strongly blocked, thus achieving a pure thermo spin current. The enhanced Seebeck coefficient and the figure of merit value of high-spin state indicate that it is an ideal candidate for thermoelectric applications.

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

PubMed Central

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

2018-01-01

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

Effect of the target power density on high-power impulse magnetron sputtering of copper

NASA Astrophysics Data System (ADS)

Kozák, Tomáš

2012-04-01

We present a model analysis of high-power impulse magnetron sputtering of copper. We use a non-stationary global model based on the particle and energy conservation equations in two zones (the high density plasma ring above the target racetrack and the bulk plasma region), which makes it possible to calculate time evolutions of the averaged process gas and target material neutral and ion densities, as well as the fluxes of these particles to the target and substrate during a pulse period. We study the effect of the increasing target power density under conditions corresponding to a real experimental system. The calculated target current waveforms show a long steady state and are in good agreement with the experimental results. For an increasing target power density, an analysis of the particle densities shows a gradual transition to a metal dominated discharge plasma with an increasing degree of ionization of the depositing flux. The average fraction of target material ions in the total ion flux onto the substrate is more than 90% for average target power densities higher than 500 W cm-2 in a pulse. The average ionized fraction of target material atoms in the flux onto the substrate reaches 80% for a maximum average target power density of 3 kW cm-2 in a pulse.

Systematic investigation of structural, electronic, optical and thermal properties of ternary MoAlB; an ab initio approach

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Rastogi, Anugya; Verma, U. P.

2018-02-01

Structural, electronic, optical and thermal properties of molybdenum aluminum boride (MoAlB) have been analyzed systematically using the full potential linearized augmented plane wave method based on density functional theory at ambient condition as well as high pressure and high temperature. Density of states and band structure calculation reflect the metallic character of MoAlB. In addition to this, the electron charge density calculation reveals the strong covalent bonding, in between ‘B’ atoms as well as ‘Mo’ and ‘B’ atoms. Optical parameters exhibit anisotropic nature and MoAlB become transparent in ultraviolet region for the radiation of energy above 25 eV. The thermal properties were investigated by using the quasi-harmonic Debye model at high temperature and high pressure.

A Solid-State Fibriform Supercapacitor Boosted by Host-Guest Hybridization between the Carbon Nanotube Scaffold and MXene Nanosheets.

PubMed

Yu, Chenyang; Gong, Yujiao; Chen, Ruyi; Zhang, Mingyi; Zhou, Jinyuan; An, Jianing; Lv, Fan; Guo, Shaojun; Sun, Gengzhi

2018-06-25

Fiber-shaped supercapacitors with improved specific capacitance and high rate capability are a promising candidate as power supply for smart textiles. However, the synergistic interaction between conductive filaments and active nanomaterials remains a crucial challenge, especially when hydrothermal or electrochemical deposition is used to produce a core (fiber)-shell (active materials) fibrous structure. On the other hand, although 2D pseudocapacitive materials, e.g., Ti 3 C 2 T x (MXene), have demonstrated high volumetric capacitance, high electrical conductivity, and hydrophilic characteristics, MXene-based electrodes normally suffer from poor rate capability owing to the sheet restacking especially when the loading level is high and solid-state gel is used as electrolyte. Herein, by hosting MXene nanosheets (Ti 3 C 2 T x ) in the corridor of a scrolled carbon nanotube (CNT) scaffold, a MXene/CNT fiber with helical structure is successfully fabricated. These features offer open spaces for rapid ion diffusion and guarantee fast electron transport. The solid-state supercapacitor based on such hybrid fibers with gel electrolyte coating exhibits a volumetric capacitance of 22.7 F cm -3 at 0.1 A cm -3 with capacitance retention of 84% at current density of 1.0 A cm -3 (19.1 F cm -3 ), improved volumetric energy density of 2.55 mWh cm -3 at the power density of 45.9 mW cm -3 , and excellent mechanical robustness. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2017-03-15

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

Coaxial CoMoO4 nanowire arrays with chemically integrated conductive coating for high-performance flexible all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Chen, Yaping; Liu, Borui; Liu, Qi; Wang, Jun; Li, Zhanshuang; Jing, Xiaoyan; Liu, Lianhe

2015-09-01

Flexible all-solid-state supercapacitors have offered promising applications as novel energy storage devices based on their merits, such as small size, low cost, light weight and high wearability for high-performance portable electronics. However, one major challenge to make flexible all-solid-state supercapacitors depends on the improvement of electrode materials with higher electrical conductivity properties and longer cycling stability. In this article, we put forward a simple strategy to in situ synthesize 1D CoMoO4 nanowires (NWs), using highly conductive CC and an electrically conductive PPy wrapping layer on CoMoO4 NW arrays for high performance electrode materials. The results show that the CoMoO4/PPy hybrid NW electrode exhibits a high areal specific capacitance of ca. 1.34 F cm-2 at a current density of 2 mA cm-2, which is remarkably better than the corresponding values for a pure CoMoO4 NW electrode of 0.7 F cm-2. An excellent cycling performance of nanocomposites of up to 95.2% (ca. 1.12 F cm-2) is achieved after 2000 cycles compared to pristine CoMoO4 NWs. In addition, we fabricate flexible all-solid-state ASC which can be cycled reversibly in the voltage range of 0-1.7 V, and exhibits a maximum energy density of 104.7 W h kg-1 (3.522 mW h cm-3), demonstrating great potential for practical applications in flexible energy storage electronics.Flexible all-solid-state supercapacitors have offered promising applications as novel energy storage devices based on their merits, such as small size, low cost, light weight and high wearability for high-performance portable electronics. However, one major challenge to make flexible all-solid-state supercapacitors depends on the improvement of electrode materials with higher electrical conductivity properties and longer cycling stability. In this article, we put forward a simple strategy to in situ synthesize 1D CoMoO4 nanowires (NWs), using highly conductive CC and an electrically conductive PPy wrapping layer on CoMoO4 NW arrays for high performance electrode materials. The results show that the CoMoO4/PPy hybrid NW electrode exhibits a high areal specific capacitance of ca. 1.34 F cm-2 at a current density of 2 mA cm-2, which is remarkably better than the corresponding values for a pure CoMoO4 NW electrode of 0.7 F cm-2. An excellent cycling performance of nanocomposites of up to 95.2% (ca. 1.12 F cm-2) is achieved after 2000 cycles compared to pristine CoMoO4 NWs. In addition, we fabricate flexible all-solid-state ASC which can be cycled reversibly in the voltage range of 0-1.7 V, and exhibits a maximum energy density of 104.7 W h kg-1 (3.522 mW h cm-3), demonstrating great potential for practical applications in flexible energy storage electronics. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02961a

Toroidal high-spin isomers in the nucleus 304120

NASA Astrophysics Data System (ADS)

Staszczak, A.; Wong, Cheuk-Yin; Kosior, A.

2017-05-01

Background: Strongly deformed oblate superheavy nuclei form an intriguing region where the toroidal nuclear structures may bifurcate from the oblate spheroidal shape. The bifurcation may be facilitated when the nucleus is endowed with a large angular moment about the symmetry axis with I =Iz . The toroidal high-K isomeric states at their local energy minima can be theoretically predicted using the cranked self-consistent Skyrme-Hartree-Fock method. Purpose: We use the cranked Skyrme-Hartree-Fock method to predict the properties of the toroidal high-spin isomers in the superheavy nucleus 120304184. Method: Our method consists of three steps: First, we use the deformation-constrained Skyrme-Hartree-Fock-Bogoliubov approach to search for the nuclear density distributions with toroidal shapes. Next, using these toroidal distributions as starting configurations, we apply an additional cranking constraint of a large angular momentum I =Iz about the symmetry z axis and search for the energy minima of the system as a function of the deformation. In the last step, if a local energy minimum with I =Iz is found, we perform at this point the cranked symmetry- and deformation-unconstrained Skyrme-Hartree-Fock calculations to locate a stable toroidal high-spin isomeric state in free convergence. Results: We have theoretically located two toroidal high-spin isomeric states of 120304184 with an angular momentum I =Iz=81 ℏ (proton 2p-2h, neutron 4p-4h excitation) and I =Iz=208 ℏ (proton 5p-5h, neutron 8p-8h) at the quadrupole moment deformations Q20=-297.7 b and Q20=-300.8 b with energies 79.2 and 101.6 MeV above the spherical ground state, respectively. The nuclear density distributions of the toroidal high-spin isomers 120304184(Iz=81 ℏ and 208 ℏ ) have the maximum density close to the nuclear matter density, 0.16 fm-3, and a torus major to minor radius aspect ratio R /d =3.25 . Conclusions: We demonstrate that aligned angular momenta of Iz=81 ℏ and 208 ℏ arising from multiparticle-multihole excitations in the toroidal system of 120304184 can lead to high-spin isomeric states, even though the toroidal shape of 120304184 without spin is unstable. Toroidal energy minima without spin may be possible for superheavy nuclei with higher atomic numbers, Z ≳122 , as reported previously [7 A. Staszczak and C. Y. Wong, Acta Phys. Pol. B 40, 753 (2008)].

Toroidal high-spin isomers in the nucleus 120 304

DOE PAGES

Staszczak, A.; Wong, Cheuk-Yin; Kosior, A.

2017-05-22

Strongly deformed oblate superheavy nuclei form an intriguing region where the toroidal nuclear structures may bifurcate from the oblate spheroidal shape. The bifurcation may be facilitated when the nucleus is endowed with a large angular moment about the symmetry axis withmore » $$I=I_{z}$$. The toroidal high-$K$ isomeric states at their local energy minima can be theoretically predicted using the cranked self-consistent Skyrme-Hartree-Fock method. We use the cranked Skyrme-Hartree-Fock method to predict the properties of the toroidal high-spin isomers in the superheavy nucleus $$^{304}{120}_{184}$$. This method consists of three steps: first, we use the deformation-constrained Skyrme-Hartree-Fock-Bogoliubov approach to search for the nuclear density distributions with toroidal shapes. Next, using these toroidal distributions as starting configurations we apply an additional cranking constraint of a large angular momentum $$I=I_{z}$$ about the symmetry $z$-axis and search for the energy minima of the system as a function of the deformation. In the last step, if a local energy minimum with $$I=I_{z}$$ is found, we perform at this point the cranked symmetry- and deformation-unconstrained Skyrme-Hartree-Fock calculations to locate a stable toroidal high-spin isomeric state in free convergence. Furthemore, we have theoretically located two toroidal high-spin isomeric states of $$^{304}{120}_{184}$$ with an angular momentum $I$=$$I_z$$=81$$\\hbar$$ (proton 2p-2h, neutron 4p-4h excitation) and $I$=$$I_z$$=208$$\\hbar$$ (proton 5p-5h, neutron 8p-8h) at the quadrupole moment deformations $$Q_{20}=-297.7$$~b and $$Q_{20}=-300.8$$~b with energies 79.2 MeV and 101.6 MeV above the spherical ground state, respectively. The nuclear density distributions of the toroidal high-spin isomers $$^{304}{120}_{184}(I_z$$=81$$\\hbar$$ and 208$$\\hbar$$) have the maximum density close to the nuclear matter density, 0.16 fm$$^{-3}$$, and a torus major to minor radius aspect ratio $R/d=3.25$. Here, we demonstrate that aligned angular momenta of $$I_z$$=81$$\\hbar$$ and 208$$\\hbar$$ arising from multi-particle-multi-hole excitations in the toroidal system of $$^{304}{120}_{184}$$ can lead to high-spin isomeric states, even though the toroidal shape of $$^{304}120_{184}$$ without spin is unstable. Toroidal energy minima without spin may be possible for superheavy nuclei with higher atomic numbers, $$Z\\gtrsim$$122, as reported previously [A. Staszczak and C. Y. Wong,Acta Phys. Pol. B 40 , 753 (2008)].« less

A Survey of Rural Population Density and Forest Fire Occurrence in the South, 1956-1970

Treesearch

A.T. Altobellis

1983-01-01

Rural residents comprise a high risk potential population regarding person-caused wildfire incidence in the South. However, rural population density (RPD=numker of people per square mile) was found to be indeterminately associated with fire occurrence rate (FOR=number of fires per million acres protected) in protected lands in 13 Southern states. Thus, changes in...

Age-Related Shifts in the Density and Distribution of Genetic Marker Water Quality Indicators in Cow and Calf Feces (Journal)

EPA Science Inventory

Calves (≤ 226 kg body mass) make up about 16% of the current bovine population in the United States and can excrete high levels of human pathogens. We describe the density and distribution of genetic markers from 11 PCR- and real-time quantitative PCR-based assays including CF...

PHYSICAL-CONSTRAINT-PRESERVING CENTRAL DISCONTINUOUS GALERKIN METHODS FOR SPECIAL RELATIVISTIC HYDRODYNAMICS WITH A GENERAL EQUATION OF STATE

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

Wu, Kailiang; Tang, Huazhong, E-mail: wukl@pku.edu.cn, E-mail: hztang@math.pku.edu.cn

The ideal gas equation of state (EOS) with a constant adiabatic index is a poor approximation for most relativistic astrophysical flows, although it is commonly used in relativistic hydrodynamics (RHD). This paper develops high-order accurate, physical-constraints-preserving (PCP), central, discontinuous Galerkin (DG) methods for the one- and two-dimensional special RHD equations with a general EOS. It is built on our theoretical analysis of the admissible states for RHD and the PCP limiting procedure that enforce the admissibility of central DG solutions. The convexity, scaling invariance, orthogonal invariance, and Lax–Friedrichs splitting property of the admissible state set are first proved with themore » aid of its equivalent form. Then, the high-order central DG methods with the PCP limiting procedure and strong stability-preserving time discretization are proved, to preserve the positivity of the density, pressure, specific internal energy, and the bound of the fluid velocity, maintain high-order accuracy, and be L {sup 1}-stable. The accuracy, robustness, and effectiveness of the proposed methods are demonstrated by several 1D and 2D numerical examples involving large Lorentz factor, strong discontinuities, or low density/pressure, etc.« less

Low bone mineral density and fragility fractures in permanent vegetative state patients.

PubMed

Oppl, Bastian; Michitsch, Gabriele; Misof, Barbara; Kudlacek, Stefan; Donis, Johann; Klaushofer, Klaus; Zwerina, Jochen; Zwettler, Elisabeth

2014-01-01

Disuse of the musculoskeletal system causes bone loss. Whether patients in vegetative state, a dramatic example of immobilization after severe brain injury, suffer from bone loss and fractures is currently unknown. Serum markers of bone turnover, bone mineral density (BMD) measurements, and clinical data were cross-sectionally analyzed in 30 consecutive vegetative state patients of a dedicated apallic care unit between 2003 and 2007 and compared with age- and sex-matched healthy individuals. Vegetative state patients showed low calcium levels and vitamin D deficiency compared with healthy controls. Serum bone turnover markers revealed high turnover as evidenced by markedly elevated carboxy-terminal telopeptide of type I collagen (β-crosslaps) and increased levels of alkaline phosphatase. BMD measured by dual-energy X-ray absorptiometry (DXA) scanning showed strongly decreased T- and Z-scores for hip and spine. Over a period of 5 years, 8 fragility fractures occurred at peripheral sites in 6 of 30 patients (n = 3 femur, n = 2 tibia, n = 2 fibula, n = 1 humerus). In conclusion, high bone turnover and low BMD is highly prevalent in vegetative state patients, translating into a clinically relevant problem as shown by fragility fractures in 20% of patients over a time period of 5 years. . © 2014 American Society for Bone and Mineral Research.

Grid-Integrated Electric Drive Analysis for The Ohio State University |

Science.gov Websites

thermal management analysis and simulations on a high-performance, high-speed drive-developed by The Ohio as a pilot study for the future generation of energy efficient, high power density, high-speed integrated medium/high-voltage drive systems. If successful, the proposed project will significantly advance

Unidirectional spin density wave state in metallic (Sr 1-xLax) 2IrO 4

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

Chen, Xiang; Schmehr, Julian L.; Islam, Zahirul

Materials that exhibit both strong spin–orbit coupling and electron correlation effects are predicted to host numerous new electronic states. One prominent example is the J eff = 1/2 Mott state in Sr 2IrO 4, where introducing carriers is predicted to manifest high temperature superconductivity analogous to the S=1/2 Mott state of La 2CuO 4. While bulk super- conductivity currently remains elusive, anomalous quasiparticle behaviors paralleling those in the cuprates such as pseudogap formation and the formation of a d-wave gap are observed upon electron-doping Sr 2IrO 4. Here we establish a magnetic parallel between electron-doped Sr 2IrO 4 and hole-dopedmore » La 2CuO 4 by unveiling a spin density wave state in electron-doped Sr 2IrO 4. Our magnetic resonant X-ray scattering data reveal the presence of an incom- mensurate magnetic state reminiscent of the diagonal spin density wave state observed in the monolayer cuprate (La 1-xSr x) 2CuO 4. This link supports the conjecture that the quenched Mott phases in electron-doped Sr 2IrO 4 and hole-doped La 2CuO 4 support common competing electronic phases.« less

Density of Trap States and Auger-mediated Electron Trapping in CdTe Quantum-Dot Solids.

PubMed

Boehme, Simon C; Azpiroz, Jon Mikel; Aulin, Yaroslav V; Grozema, Ferdinand C; Vanmaekelbergh, Daniël; Siebbeles, Laurens D A; Infante, Ivan; Houtepen, Arjan J

2015-05-13

Charge trapping is an ubiquitous process in colloidal quantum-dot solids and a major limitation to the efficiency of quantum dot based devices such as solar cells, LEDs, and thermoelectrics. Although empirical approaches led to a reduction of trapping and thereby efficiency enhancements, the exact chemical nature of the trapping mechanism remains largely unidentified. In this study, we determine the density of trap states in CdTe quantum-dot solids both experimentally, using a combination of electrochemical control of the Fermi level with ultrafast transient absorption and time-resolved photoluminescence spectroscopy, and theoretically, via density functional theory calculations. We find a high density of very efficient electron traps centered ∼0.42 eV above the valence band. Electrochemical filling of these traps increases the electron lifetime and the photoluminescence quantum yield by more than an order of magnitude. The trapping rate constant for holes is an order of magnitude lower that for electrons. These observations can be explained by Auger-mediated electron trapping. From density functional theory calculations we infer that the traps are formed by dicoordinated Te atoms at the quantum dot surface. The combination of our unique experimental determination of the density of trap states with the theoretical modeling of the quantum dot surface allows us to identify the trapping mechanism and chemical reaction at play during charge trapping in these quantum dots.

Characterization of oxygen defects in diamond by means of density functional theory calculations

NASA Astrophysics Data System (ADS)

Thiering, Gergő; Gali, Adam

2016-09-01

Point defects in diamond are of high interest as candidates for realizing solid state quantum bits, bioimaging agents, or ultrasensitive electric or magnetic field sensors. Various artificial diamond synthesis methods should introduce oxygen contamination in diamond, however, the incorporation of oxygen into diamond crystal and the nature of oxygen-related point defects are largely unknown. Oxygen may be potentially interesting as a source of quantum bits or it may interact with other point defects which are well established solid state qubits. Here we employ plane-wave supercell calculations within density functional theory, in order to characterize the electronic and magneto-optical properties of various oxygen-related defects. Besides the trivial single interstitial and substitutional oxygen defects we also consider their complexes with vacancies and hydrogen atoms. We find that oxygen defects are mostly electrically active and introduce highly correlated orbitals that pose a challenge for density functional theory modeling. Nevertheless, we are able to identify the fingerprints of substitutional oxygen defect, the oxygen-vacancy and oxygen-vacancy-hydrogen complexes in the electron paramagnetic resonance spectrum. We demonstrate that first principles calculations can predict the motional averaging of the electron paramagnetic resonance spectrum of defects that are subject to Jahn-Teller distortion. We show that the high-spin neutral oxygen-vacancy defect exhibits very fast nonradiative decay from its optical excited state that might hinder applying it as a qubit.

Evolution of Mars' northern polar seasonal CO2 deposits: Variations in surface brightness and bulk density

NASA Astrophysics Data System (ADS)

Mount, Christopher P.; Titus, Timothy N.

2015-07-01

Small-scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct end-members across the NPSC: (1) Snow deposits may anneal to form an overlying slab layer that fractures. These low-density deposits maintain relatively constant densities over springtime. (2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high-density deposits dramatically increase in density over time. The end-members appear to be correlated with latitude.

Evolution of Mars’ Northern Polar Seasonal CO2 deposits: variations in surface brightness and bulk density

USGS Publications Warehouse

Mount, Christopher P.; Titus, Timothy N.

2015-01-01

Small scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct endmembers across the NPSC: 1) Snow deposits may anneal to form an overlying slab layer that fractures. These low density deposits maintain relatively constant densities over springtime. 2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high density deposits dramatically increase in density over time. The endmembers appear to be correlated with latitude.

Neutron matter within QCD sum rules

NASA Astrophysics Data System (ADS)

Cai, Bao-Jun; Chen, Lie-Wen

2018-05-01

The equation of state (EOS) of pure neutron matter (PNM) is studied in QCD sum rules (QCDSRs ). It is found that the QCDSR results on the EOS of PNM are in good agreement with predictions by current advanced microscopic many-body theories. Moreover, the higher-order density terms in quark condensates are shown to be important to describe the empirical EOS of PNM in the density region around and above nuclear saturation density although they play a minor role at subsaturation densities. The chiral condensates in PNM are also studied, and our results indicate that the higher-order density terms in quark condensates, which are introduced to reasonably describe the empirical EOS of PNM at suprasaturation densities, tend to hinder the appearance of chiral symmetry restoration in PNM at high densities.

Thermal density functional theory, ensemble density functional theory, and potential functional theory for warm dense matter

NASA Astrophysics Data System (ADS)

Pribram-Jones, Aurora

Warm dense matter (WDM) is a high energy phase between solids and plasmas, with characteristics of both. It is present in the centers of giant planets, within the earth's core, and on the path to ignition of inertial confinement fusion. The high temperatures and pressures of warm dense matter lead to complications in its simulation, as both classical and quantum effects must be included. One of the most successful simulation methods is density functional theory-molecular dynamics (DFT-MD). Despite great success in a diverse array of applications, DFT-MD remains computationally expensive and it neglects the explicit temperature dependence of electron-electron interactions known to exist within exact DFT. Finite-temperature density functional theory (FT DFT) is an extension of the wildly successful ground-state DFT formalism via thermal ensembles, broadening its quantum mechanical treatment of electrons to include systems at non-zero temperatures. Exact mathematical conditions have been used to predict the behavior of approximations in limiting conditions and to connect FT DFT to the ground-state theory. An introduction to FT DFT is given within the context of ensemble DFT and the larger field of DFT is discussed for context. Ensemble DFT is used to describe ensembles of ground-state and excited systems. Exact conditions in ensemble DFT and the performance of approximations depend on ensemble weights. Using an inversion method, exact Kohn-Sham ensemble potentials are found and compared to approximations. The symmetry eigenstate Hartree-exchange approximation is in good agreement with exact calculations because of its inclusion of an ensemble derivative discontinuity. Since ensemble weights in FT DFT are temperature-dependent Fermi weights, this insight may help develop approximations well-suited to both ground-state and FT DFT. A novel, highly efficient approach to free energy calculations, finite-temperature potential functional theory, is derived, which has the potential to transform the simulation of warm dense matter. As a semiclassical method, it connects the normally disparate regimes of cold condensed matter physics and hot plasma physics. This orbital-free approach captures the smooth classical density envelope and quantum density oscillations that are both crucial to accurate modeling of materials where temperature and pressure effects are influential.

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.

40 CFR 52.1670 - Identification of plans.

Code of Federal Regulations, 2010 CFR

2010-07-01

... provides for adequate State legal authority to ensure for public availability of air pollutant emission..., and April 3, 1987, concerning the manufacture of high-density polyethylene, polypropylene, and...

Growth and interface properties of Au Schottky contact on ZnO grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Asghar, M.; Mahmood, K.; Malik, Faisal; Hasan, M. A.

2013-06-01

In this paper, we have discussed the growth of ZnO by molecular beam epitaxy (MBE) and interface properties of Au Schottky contacts on grown sample. After the verification of structure and surface properties by X-Ray Diffraction (XRD) and Scanning Electron Microscope (SEM), respectively, Au metal contact was fabricated by e-beam evaporation to study contact properties. The high value of ideality factor (2.15) and barrier height (0.61 eV) at room temperature obtained by current-voltage (I-V) characteristics suggested the presence of interface states between metal and semiconductor. To confirm this observation we carried out frequency dependent capacitance-voltage (C-V) and conductance-voltage (G-V) demonstrated that the capacitance of diode decreased with increasing frequency. The reason of this behavior is related with density of interface states, series resistance and image force lowering. The C-2-V plot drawn to calculate the carrier concentration and barrier height with values 1.4×1016 cm-3 and 0.92 eV respectively. Again, high value of barrier height obtained from C-V as compared to the value obtained from I-V measurements revealed the presence of interface states. The density of these interface states (Dit) was calculated by well known Hill-Coleman method. The calculated value of Dit at 1 MHz frequency was 2×1012 eV-1 cm-2. The plot between interface states and frequency was also drawn which demonstrated that density of interface states had inverse proportion with measuring frequency.

Sorting process of nanoparticles and applications of same

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

Tyler, Timothy P.; Henry, Anne-Isabelle; Van Duyne, Richard P.

In one aspect of the present invention, a method for sorting nanoparticles includes preparing a high-viscosity density gradient medium filled in a container, dispersing nanoparticles into an aqueous solution to form a suspension of the nanoparticles, each nanoparticle having one or more cores and a shell encapsulating the one or more cores, layering the suspension of the nanoparticles on the top of the high-viscosity density gradient medium in the container, and centrifugating the layered suspension of the nanoparticles on the top of the high-viscosity density gradient medium in the container at a predetermined speed for a predetermined period of timemore » to form a gradient of fractions of the nanoparticles along the container, where each fraction comprises nanoparticles in a respective one of aggregation states of the nanoparticles.« less

Quantum entanglement and spin control in silicon nanocrystal.

PubMed

Berec, Vesna

2012-01-01

Selective coherence control and electrically mediated exchange coupling of single electron spin between triplet and singlet states using numerically derived optimal control of proton pulses is demonstrated. We obtained spatial confinement below size of the Bohr radius for proton spin chain FWHM. Precise manipulation of individual spins and polarization of electron spin states are analyzed via proton induced emission and controlled population of energy shells in pure (29)Si nanocrystal. Entangled quantum states of channeled proton trajectories are mapped in transverse and angular phase space of (29)Si <100> axial channel alignment in order to avoid transversal excitations. Proton density and proton energy as impact parameter functions are characterized in single particle density matrix via discretization of diagonal and nearest off-diagonal elements. We combined high field and low densities (1 MeV/92 nm) to create inseparable quantum state by superimposing the hyperpolarizationed proton spin chain with electron spin of (29)Si. Quantum discretization of density of states (DOS) was performed by the Monte Carlo simulation method using numerical solutions of proton equations of motion. Distribution of gaussian coherent states is obtained by continuous modulation of individual spin phase and amplitude. Obtained results allow precise engineering and faithful mapping of spin states. This would provide the effective quantum key distribution (QKD) and transmission of quantum information over remote distances between quantum memory centers for scalable quantum communication network. Furthermore, obtained results give insights in application of channeled protons subatomic microscopy as a complete versatile scanning-probe system capable of both quantum engineering of charged particle states and characterization of quantum states below diffraction limit linear and in-depth resolution.PACS NUMBERS: 03.65.Ud, 03.67.Bg, 61.85.+p, 67.30.hj.

XES studies of density of states of high temperature superconductors

NASA Technical Reports Server (NTRS)

Jasiolek, Gabriel

1990-01-01

X-ray emission spectroscopic studies concerning the superconducting crystals, thin films and ceramics of the Y-Ba-Cu-O, Tm-Ba-Cu-O, Bi-Sr-Ca-Cu-O, Bi-Pb-Sr-Ca-Cu-O and T1-Ba-Ca-Cu-O types are presented. The contributions of the 13d(9)L, 13d(10)L, 13d(10)LL and 13d(10)L(2) configurations, where L denotes a ligand hole at the oxygen orbitals in the spectroscopic pattern of these superconductors are discussed. An attempt to connect the x-ray 'as registered' Cu L emission spectra with the density of states close to the Fermi level, considering an influence of the CuL3 absorption edge, is presented. The corrected intensity distributions below the Fermi level are found to correspond to the theoretical density of states. Furthermore, an approach to the average valence of copper based on the account of the self-absorption and fluorescence effects and on the configurations listed above is shown. The average valence of copper in the materials investigated is estimated to lie in the range of +2.10 to 2.32 when the formal trivalent copper is considered as that characterized by the 13d(9)L configuration. The density of states at the Fermi level was estimated to be 2.4 states/eV-cell for a Bi-Sr-Ca-Cu-O crystal and 3.6 states/eV-cell for a Tl-Ba-Ca-Cu-O ceramic.

XES studies of density of states of high temperature superconductors

NASA Technical Reports Server (NTRS)

Jasiolek, Gabriel

1991-01-01

X-ray emission spectroscopic studies concerning the superconducting crystals, thin films, and ceramics of the Y-Ba-Cu-O, Tm-Ba-Cu-O, Bi-Sr-Ca-Cu-O, Bi-Pb-Sr-Ca-Cu-O, and Tl-Ba-Ca-Cu-O types are presented. The contributions of the 13d(9)L, 13d(10)L, 13d(10)LL, and 13d(10)L(2) configurations, where L denotes a ligand hole at the oxygen orbitals in the spectroscopic pattern of these superconductors are discussed. An attempt to connect the x-ray 'as registered' Cu L(alpha) emission spectra with the density of states close to the Fermi level, considering an influence of the CuL3 absorption edge, is presented. The corrected intensity distributions below the Fermi level are found to correspond to the theoretical density of states. Furthermore, an approach to the average valence of copper basing on the account of the self-absorption and fluorescence effects and on the configurations listed above is shown. The average valence of copper in the materials investigated is estimated to lie in the range of +2.10 to 2.32 when the formal trivalent copper is considered as that characterized by the 13d(9)L configuration. The density of states at the Fermi level was estimated to be 2.4 states/eV-cell for a Bi-Sr-Ca-Cu-O crystal and 3.6 states/eV-cell for a Tl-Ba-Ca-CU-O ceramic.

Iron chalcogenide superconductors at high magnetic fields

PubMed Central

Lei, Hechang; Wang, Kefeng; Hu, Rongwei; Ryu, Hyejin; Abeykoon, Milinda; Bozin, Emil S; Petrovic, Cedomir

2012-01-01

Iron chalcogenide superconductors have become one of the most investigated superconducting materials in recent years due to high upper critical fields, competing interactions and complex electronic and magnetic phase diagrams. The structural complexity, defects and atomic site occupancies significantly affect the normal and superconducting states in these compounds. In this work we review the vortex behavior, critical current density and high magnetic field pair-breaking mechanism in iron chalcogenide superconductors. We also point to relevant structural features and normal-state properties. PMID:27877518

Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs.

PubMed

Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

2015-09-02

High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This "compliant" buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 10(5) cm(-2). In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6" wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors.

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.

Correlated evolution of structure and mechanical loss of a sputtered silica film

NASA Astrophysics Data System (ADS)

Granata, Massimo; Coillet, Elodie; Martinez, Valérie; Dolique, Vincent; Amato, Alex; Canepa, Maurizio; Margueritat, Jérémie; Martinet, Christine; Mermet, Alain; Michel, Christophe; Pinard, Laurent; Sassolas, Benoît; Cagnoli, Gianpietro

2018-05-01

Energy dissipation in amorphous coatings severely affects high-precision optical and quantum transducers. In order to isolate the source of coating loss, we performed an extensive study of Raman scattering and mechanical loss of a thermally treated sputtered silica coating. Our results show that loss is correlated with the population of three-membered rings of Si-O4 tetrahedral units and support the evidence that thermal treatment reduces the density of metastable states separated by a characteristic energy of about 0.5 eV in favor of an increase of the density of states separated by smaller activation energies.

On-chip supercapacitors with ultrahigh volumetric performance based on electrochemically co-deposited CuO/polypyrrole nanosheet arrays

NASA Astrophysics Data System (ADS)

Qian, Tao; Zhou, Jinqiu; Xu, Na; Yang, Tingzhou; Shen, Xiaowei; Liu, Xuejun; Wu, Shishan; Yan, Chenglin

2015-10-01

We introduce a new method for fabricating unique on-chip supercapacitors based on CuO/polypyrrole core/shell nanosheet arrays by means of direct electrochemical co-deposition on interdigital-like electrodes. The prepared all-solid-state device demonstrates exceptionally high specific capacitance of 1275.5 F cm-3 (˜40 times larger than that of CuO-only supercapacitors) and high-energy-density of 28.35 mWh cm-3, which are both significantly greater than other solid-state supercapacitors. More importantly, the device maintains approximately 100% capacity retention at 2.5 A cm-3 after 3000 cycles. The in situ co-deposition of CuO/polypyrrole nanosheets on interdigital substrate enables effective charge transport, electrode fabrication integrity, and device integration. Because of their high energy, power density, and stable cycling stability, these newly developed on-chip supercapacitors permit fast, reliable applications in portable and miniaturized electronic devices.

3D Ta/TaO x /TiO2/Ti synaptic array and linearity tuning of weight update for hardware neural network applications

NASA Astrophysics Data System (ADS)

Wang, I.-Ting; Chang, Chih-Cheng; Chiu, Li-Wen; Chou, Teyuh; Hou, Tuo-Hung

2016-09-01

The implementation of highly anticipated hardware neural networks (HNNs) hinges largely on the successful development of a low-power, high-density, and reliable analog electronic synaptic array. In this study, we demonstrate a two-layer Ta/TaO x /TiO2/Ti cross-point synaptic array that emulates the high-density three-dimensional network architecture of human brains. Excellent uniformity and reproducibility among intralayer and interlayer cells were realized. Moreover, at least 50 analog synaptic weight states could be precisely controlled with minimal drifting during a cycling endurance test of 5000 training pulses at an operating voltage of 3 V. We also propose a new state-independent bipolar-pulse-training scheme to improve the linearity of weight updates. The improved linearity considerably enhances the fault tolerance of HNNs, thus improving the training accuracy.

On-chip supercapacitors with ultrahigh volumetric performance based on electrochemically co-deposited CuO/polypyrrole nanosheet arrays.

PubMed

Qian, Tao; Zhou, Jinqiu; Xu, Na; Yang, Tingzhou; Shen, Xiaowei; Liu, Xuejun; Wu, Shishan; Yan, Chenglin

2015-10-23

We introduce a new method for fabricating unique on-chip supercapacitors based on CuO/polypyrrole core/shell nanosheet arrays by means of direct electrochemical co-deposition on interdigital-like electrodes. The prepared all-solid-state device demonstrates exceptionally high specific capacitance of 1275.5 F cm(-3) (∼40 times larger than that of CuO-only supercapacitors) and high-energy-density of 28.35 mWh cm(-3), which are both significantly greater than other solid-state supercapacitors. More importantly, the device maintains approximately 100% capacity retention at 2.5 A cm(-3) after 3000 cycles. The in situ co-deposition of CuO/polypyrrole nanosheets on interdigital substrate enables effective charge transport, electrode fabrication integrity, and device integration. Because of their high energy, power density, and stable cycling stability, these newly developed on-chip supercapacitors permit fast, reliable applications in portable and miniaturized electronic devices.

Effect of inversion layer at iron pyrite surface on photovoltaic device

NASA Astrophysics Data System (ADS)

Uchiyama, Shunsuke; Ishikawa, Yasuaki; Uraoka, Yukiharu

2018-03-01

Iron pyrite has great potential as a thin-film solar cell material because it has high optical absorption, low cost, and is earth-abundant. However, previously reported iron pyrite solar cells showed poor photovoltaic characteristics. Here, we have numerically simulated its photovoltaic characteristics and band structures by utilizing a two-dimensional (2D) device simulator, ATLAS, to evaluate the effects of an inversion layer at the surface and a high density of deep donor defect states in the bulk. We found that previous device structures did not consider the inversion layer at the surface region of iron pyrite, which made it difficult to obtain the conversion efficiency. Therefore, we remodeled the device structure and suggested that removing the inversion layer and reducing the density of deep donor defect states would lead to a high conversion efficiency of iron pyrite solar cells.

Fast‐Rate Capable Electrode Material with Higher Energy Density than LiFePO4: 4.2V LiVPO4F Synthesized by Scalable Single‐Step Solid‐State Reaction

PubMed Central

Kim, Minkyung; Lee, Seongsu

2015-01-01

Use of compounds that contain fluorine (F) as electrode materials in lithium ion batteries has been considered, but synthesizing single‐phase samples of these compounds is a difficult task. Here, it is demonstrated that a simple scalable single‐step solid‐state process with additional fluorine source can obtain highly pure LiVPO4F. The resulting material with submicron particles achieves very high rate capability ≈100 mAh g−1 at 60 C‐rate (1‐min discharge) and even at 200 C‐rate (18 s discharge). It retains superior capacity, ≈120 mAh g−1 at 10 C charge/10 C discharge rate (6‐min) for 500 cycles with >95% retention efficiency. Furthermore, LiVPO4F shows low polarization even at high rates leading to higher operating potential >3.45 V (≈3.6 V at 60 C‐rate), so it achieves high energy density. It is demonstrated for the first time that highly pure LiVPO4F can achieve high power capability comparable to LiFePO4 and much higher energy density (≈521 Wh g−1 at 20 C‐rate) than LiFePO4 even without nanostructured particles. LiVPO4F can be a real substitute of LiFePO4. PMID:27774395

Fast-Rate Capable Electrode Material with Higher Energy Density than LiFePO4: 4.2V LiVPO4F Synthesized by Scalable Single-Step Solid-State Reaction.

PubMed

Kim, Minkyung; Lee, Seongsu; Kang, Byoungwoo

2016-03-01

Use of compounds that contain fluorine (F) as electrode materials in lithium ion batteries has been considered, but synthesizing single-phase samples of these compounds is a difficult task. Here, it is demonstrated that a simple scalable single-step solid-state process with additional fluorine source can obtain highly pure LiVPO 4 F. The resulting material with submicron particles achieves very high rate capability ≈100 mAh g -1 at 60 C-rate (1-min discharge) and even at 200 C-rate (18 s discharge). It retains superior capacity, ≈120 mAh g -1 at 10 C charge/10 C discharge rate (6-min) for 500 cycles with >95% retention efficiency. Furthermore, LiVPO 4 F shows low polarization even at high rates leading to higher operating potential >3.45 V (≈3.6 V at 60 C-rate), so it achieves high energy density. It is demonstrated for the first time that highly pure LiVPO 4 F can achieve high power capability comparable to LiFePO 4 and much higher energy density (≈521 Wh g -1 at 20 C-rate) than LiFePO 4 even without nanostructured particles. LiVPO 4 F can be a real substitute of LiFePO 4.

Calculation of density of states for modeling photoemission using method of moments

NASA Astrophysics Data System (ADS)

Finkenstadt, Daniel; Lambrakos, Samuel G.; Jensen, Kevin L.; Shabaev, Andrew; Moody, Nathan A.

2017-09-01

Modeling photoemission using the Moments Approach (akin to Spicer's "Three Step Model") is often presumed to follow simple models for the prediction of two critical properties of photocathodes: the yield or "Quantum Efficiency" (QE), and the intrinsic spreading of the beam or "emittance" ɛnrms. The simple models, however, tend to obscure properties of electrons in materials, the understanding of which is necessary for a proper prediction of a semiconductor or metal's QE and ɛnrms. This structure is characterized by localized resonance features as well as a universal trend at high energy. Presented in this study is a prototype analysis concerning the density of states (DOS) factor D(E) for Copper in bulk to replace the simple three-dimensional form of D(E) = (m/π2 h3)p2mE currently used in the Moments approach. This analysis demonstrates that excited state spectra of atoms, molecules and solids based on density-functional theory can be adapted as useful information for practical applications, as well as providing theoretical interpretation of density-of-states structure, e.g., qualitatively good descriptions of optical transitions in matter, in addition to DFT's utility in providing the optical constants and material parameters also required in the Moments Approach.

Equation of state and phase diagram of Fe-16Si alloy as a candidate component of Earth's core

NASA Astrophysics Data System (ADS)

Fischer, Rebecca A.; Campbell, Andrew J.; Caracas, Razvan; Reaman, Daniel M.; Dera, Przymyslaw; Prakapenka, Vitali B.

2012-12-01

The outer core of the Earth contains several weight percent of one or more unknown light elements, which may include silicon. Therefore it is critical to understand the high pressure-temperature properties and behavior of an iron-silicon alloy with a geophysically relevant composition (16 wt% silicon). We experimentally determined the melting curve, subsolidus phase diagram, and equations of state of all phases of Fe-16 wt%Si to 140 GPa, finding a conversion from the D03 crystal structure to a B2+hcp mixture at high pressures. The melting curve implies that 3520 K is a minimum temperature for the Earth's outer core, if it consists solely of Fe-Si alloy, and that the eutectic composition in the Fe-Si system is less than 16 wt% silicon at core-mantle boundary conditions. Comparing our new equation of state to that of iron and the density of the core, we find that for an Fe-Ni-Si outer core, 11.3±1.5 wt% silicon would be required to match the core's observed density at the core-mantle boundary. We have also performed first-principles calculations of the equations of state of Fe3Si with the D03 structure, hcp iron, and FeSi with the B2 structure using density-functional theory.

Equation of state and phase diagram of Fe-16Si alloy as a candidate component of Earth's core

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

Fischer, Rebecca A; Campbell, Andrew J; Caracas, Razvan

2016-07-29

The outer core of the Earth contains several weight percent of one or more unknown light elements, which may include silicon. Therefore it is critical to understand the high pressure–temperature properties and behavior of an iron–silicon alloy with a geophysically relevant composition (16 wt% silicon). We experimentally determined the melting curve, subsolidus phase diagram, and equations of state of all phases of Fe–16 wt%Si to 140 GPa, finding a conversion from the D0 3 crystal structure to a B2+hcp mixture at high pressures. The melting curve implies that 3520 K is a minimum temperature for the Earth's outer core, ifmore » it consists solely of Fe–Si alloy, and that the eutectic composition in the Fe–Si system is less than 16 wt% silicon at core–mantle boundary conditions. Comparing our new equation of state to that of iron and the density of the core, we find that for an Fe–Ni–Si outer core, 11.3±1.5 wt% silicon would be required to match the core's observed density at the core–mantle boundary. We have also performed first-principles calculations of the equations of state of Fe 3Si with the D0 3 structure, hcp iron, and FeSi with the B2 structure using density-functional theory.« less

Estimating Density and Temperature Dependence of Juvenile Vital Rates Using a Hidden Markov Model

PubMed Central

McElderry, Robert M.

2017-01-01

Organisms in the wild have cryptic life stages that are sensitive to changing environmental conditions and can be difficult to survey. In this study, I used mark-recapture methods to repeatedly survey Anaea aidea (Nymphalidae) caterpillars in nature, then modeled caterpillar demography as a hidden Markov process to assess if temporal variability in temperature and density influence the survival and growth of A. aidea over time. Individual encounter histories result from the joint likelihood of being alive and observed in a particular stage, and I have included hidden states by separating demography and observations into parallel and independent processes. I constructed a demographic matrix containing the probabilities of all possible fates for each stage, including hidden states, e.g., eggs and pupae. I observed both dead and live caterpillars with high probability. Peak caterpillar abundance attracted multiple predators, and survival of fifth instars declined as per capita predation rate increased through spring. A time lag between predator and prey abundance was likely the cause of improved fifth instar survival estimated at high density. Growth rates showed an increase with temperature, but the preferred model did not include temperature. This work illustrates how state-space models can include unobservable stages and hidden state processes to evaluate how environmental factors influence vital rates of cryptic life stages in the wild. PMID:28505138

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

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

PubMed

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

2017-12-26

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

Hydrodynamic Instabilities in High-Energy-Density Settings

NASA Astrophysics Data System (ADS)

Smalyuk, Vladimir

2016-10-01

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

Wave dynamics in an extended macroscopic traffic flow model with periodic boundaries

NASA Astrophysics Data System (ADS)

Wang, Yu-Qing; Chu, Xing-Jian; Zhou, Chao-Fan; Yan, Bo-Wen; Jia, Bin; Fang, Chen-Hao

2018-06-01

Motivated by the previous traffic flow model considering the real-time traffic state, a modified macroscopic traffic flow model is established. The periodic boundary condition is applied to the car-following model. Besides, the traffic state factor R is defined in order to correct the real traffic conditions in a more reasonable way. It is a key step that we introduce the relaxation time as a density-dependent function and provide corresponding evolvement of traffic flow. Three different typical initial densities, namely the high density, the medium one and the low one, are intensively investigated. It can be found that the hysteresis loop exists in the proposed periodic-boundary system. Furthermore, the linear and nonlinear stability analyses are performed in order to test the robustness of the system.

Faradic redox active material of Cu7S4 nanowires with a high conductance for flexible solid state supercapacitors

NASA Astrophysics Data System (ADS)

Javed, Muhammad Sufyan; Dai, Shuge; Wang, Mingjun; Xi, Yi; Lang, Qiang; Guo, Donglin; Hu, Chenguo

2015-08-01

The exploration of high Faradic redox active materials with the advantages of low cost and low toxicity has been attracting great attention for producing high energy storage supercapacitors. Here, the high Faradic redox active material of Cu7S4-NWs coated on a carbon fiber fabric (CFF) is directly used as a binder-free electrode for a high performance flexible solid state supercapacitor. The Cu7S4-NW-CFF supercapacitor exhibits excellent electrochemical performance such as a high specific capacitance of 400 F g-1 at the scan rate of 10 mV s-1 and a high energy density of 35 Wh kg-1 at a power density of 200 W kg-1, with the advantages of a light weight, high flexibility and long term cycling stability by retaining 95% after 5000 charge-discharge cycles at a constant current of 10 mA. The high Faradic redox activity and high conductance behavior of the Cu7S4-NWs result in a high pseudocapacitive performance with a relatively high specific energy and specific power. Such a new type of pseudocapacitive material of Cu7S4-NWs with its low cost is very promising for actual application in supercapacitors.The exploration of high Faradic redox active materials with the advantages of low cost and low toxicity has been attracting great attention for producing high energy storage supercapacitors. Here, the high Faradic redox active material of Cu7S4-NWs coated on a carbon fiber fabric (CFF) is directly used as a binder-free electrode for a high performance flexible solid state supercapacitor. The Cu7S4-NW-CFF supercapacitor exhibits excellent electrochemical performance such as a high specific capacitance of 400 F g-1 at the scan rate of 10 mV s-1 and a high energy density of 35 Wh kg-1 at a power density of 200 W kg-1, with the advantages of a light weight, high flexibility and long term cycling stability by retaining 95% after 5000 charge-discharge cycles at a constant current of 10 mA. The high Faradic redox activity and high conductance behavior of the Cu7S4-NWs result in a high pseudocapacitive performance with a relatively high specific energy and specific power. Such a new type of pseudocapacitive material of Cu7S4-NWs with its low cost is very promising for actual application in supercapacitors. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03363b

Ground-State Charge-Density Distribution in a Crystal of the Luminescent ortho-Phenylenediboronic Acid Complex with 8-Hydroxyquinoline.

PubMed

Jarzembska, Katarzyna N; Kamiński, Radosław; Durka, Krzysztof; Woźniak, Krzysztof

2018-05-10

This contribution is devoted to the first electron density studies of a luminescent oxyquinolinato boron complex in the solid state. ortho-Phenylenediboronic acid mixed with 8-hydroxyquinoline in dioxane forms high-quality single crystals via slow solvent evaporation, which allows successful high resolution data collection (sin θ/λ = 1.2 Å -1 ) and charge density distribution modeling. Particular attention has been paid to the boron-oxygen fragment connecting the two parts of the complex, and to the solvent species exhibiting anharmonic thermal motion. The experiment and theory compared rather well in terms of atomic charges and volumes, except for the boron centers. Boron atoms, as expected, constitute the most electron-deficient species in the complex molecule, whereas the neighboring oxygen and carbon atoms are the most significantly negatively charged ones. This part of the molecule appears to be very much involved in the charge transfer occurring between the acid fragment and oxyquinoline moiety leading to the observed fluorescence, as supported by the time-dependent density functional theory (TDDFT) results and the generated transition density maps. TDDFT calculations indicated that p-type atomic orbitals contributing to the HOMO-1, HOMO, and LUMO play the major role in the lowest energy transitions, and enabled further comparison with the charge density features, which is discussed in details. Furthermore, the results confirmed the known fact the Q ligand character is most important for the spectroscopic properties of this class of complexes.

Accessing Forbidden Glass Regimes through High-Pressure Sub-Tg Annealing

PubMed Central

Svenson, Mouritz N.; Mauro, John C.; Rzoska, Sylwester J.; Bockowski, Michal; Smedskjaer, Morten M.

2017-01-01

Density and hardness of glasses are known to increase upon both compression at the glass transition temperature (Tg) and ambient pressure sub-Tg annealing. However, a serial combination of the two methods does not result in higher density and hardness, since the effect of compression is countered by subsequent annealing and vice versa. In this study, we circumvent this by introducing a novel treatment protocol that enables the preparation of high-density, high-hardness bulk aluminosilicate glasses. This is done by first compressing a sodium-magnesium aluminosilicate glass at 1 GPa at Tg, followed by sub-Tg annealing in-situ at 1 GPa. Through density, hardness, and heat capacity measurements, we demonstrate that the effects of hot compression and sub-Tg annealing can be combined to access a “forbidden glass” regime that is inaccessible through thermal history or pressure history variation alone. We also study the relaxation behavior of the densified samples during subsequent ambient pressure sub-Tg annealing. Density and hardness are found to relax and approach their ambient condition values upon annealing, but the difference in relaxation time of density and hardness, which is usually observed for hot compressed glasses, vanishes for samples previously subjected to high-pressure sub-Tg annealing. This confirms the unique configurational state of these glasses. PMID:28418017

Reconstituted High-Density Lipoprotein Containing Human Growth Hormone-1 Shows Potent Tissue Regeneration Activity with Enhancement of Anti-Oxidant and Anti-Atherosclerotic Activities.

PubMed

Lee, Eun-Young; Kim, So-Hee; Cho, Kyung-Hyun

2015-06-01

Human growth hormone-1 (GH-1), somatotropin, is a peptide hormone that stimulates cell division in tissues such as bone and cartilage. To compare physiological activities in lipid-free and lipid-bound states, we expressed and incorporated GH-1 in reconstituted high-density lipoprotein (rHDL). GH-1 was expressed and purified using the pET30(a) vector and an Escherichia coli expression system. Purified GH-1 (at least 98% purity, 23 kD) was characterized and synthesized with apolipoproteinA-I (apoA-I), 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC), and cholesterol. Secondary structure analysis of GH-1 revealed 54% α-helical content in a lipid-free state and 65% α-helical content in a lipid-bound state along with blue-shifted tryptophan movement (around 2 nm). GH-1 caused less uptake of oxidized low-density lipoprotein (oxLDL) into macrophages and inhibited senescence of dermal cells in a dose-dependent manner. GH-1 in a lipid-bound state exerted stronger inhibitory activity than in a lipid-free state, indicating improved anti-atherosclerotic activity due to the lipid formulation. In a fin regeneration experiment using zebrafish (17 weeks old, n=9), GH-1 showed its highest regeneration speed without any side effects. GH-1-rHDL containing apoA-I showed 2.3-fold and 1.6-fold higher regeneration speeds than lipid-free GH-1 (in native state) and lipid-bound GH-1, respectively. Incorporation of GH-1 and apoA-I in HDL enhanced tissue regeneration activity of amputated tail fin, indicating a synergetic effect between GH-1 and apoA-I in a lipid-bound state.

Ground state of high-density matter

NASA Technical Reports Server (NTRS)

Copeland, ED; Kolb, Edward W.; Lee, Kimyeong

1988-01-01

It is shown that if an upper bound to the false vacuum energy of the electroweak Higgs potential is satisfied, the true ground state of high-density matter is not nuclear matter, or even strange-quark matter, but rather a non-topological soliton where the electroweak symmetry is exact and the fermions are massless. This possibility is examined in the standard SU(3) sub C tensor product SU(2) sub L tensor product U(1) sub Y model. The bound to the false vacuum energy is satisfied only for a narrow range of the Higgs boson masses in the minimal electroweak model (within about 10 eV of its minimum allowed value of 6.6 GeV) and a somewhat wider range for electroweak models with a non-minimal Higgs sector.

Reasons for high-temperature superconductivity in the electron–phonon system of hydrogen sulfide

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

Degtyarenko, N. N.; Mazur, E. A., E-mail: eugen-masur@mail.ru

We have calculated the electron and phonon spectra, as well as the densities of the electron and phonon states, of the stable orthorhombic structure of hydrogen sulfide SH{sub 2} in the pressure interval 100–180 GPa. It is found that at a pressure of 175 GPa, a set of parallel planes of hydrogen atoms is formed due to a structural modification of the unit cell under pressure with complete accumulation of all hydrogen atoms in these planes. As a result, the electronic properties of the system become quasi-two-dimensional. We have also analyzed the collective synphase and antiphase vibrations of hydrogen atomsmore » in these planes, leading to the occurrence of two high-energy peaks in the phonon density of states.« less

Oxidation of gallium arsenide in a plasma multipole device. Study of the MOS structures obtained

NASA Technical Reports Server (NTRS)

Gourrier, S.; Mircea, A.; Simondet, F.

1980-01-01

The oxygen plasma oxidation of GaAs was studied in order to obtain extremely high frequency responses with MOS devices. In the multipole system a homogeneous oxygen plasma of high density can easily be obtained in a large volume. This system is thus convenient for the study of plasma oxidation of GaAs. The electrical properties of the MOS diodes obtained in this way are controlled by interface states, located mostly in the upper half of the band gap where densities in the 10 to the 13th power/(sq cm) (eV) range can be estimated. Despite these interface states the possibility of fabricating MOSFET transistors working mostly in the depletion mode for a higher frequency cut-off still exists.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations

PubMed Central

Morales, Miguel A.; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D. M.

2010-01-01

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics. PMID:20566888

Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver.

PubMed

Nakata, Maho; Braams, Bastiaan J; Fujisawa, Katsuki; Fukuda, Mituhiro; Percus, Jerome K; Yamashita, Makoto; Zhao, Zhengji

2008-04-28

The reduced density matrix (RDM) method, which is a variational calculation based on the second-order reduced density matrix, is applied to the ground state energies and the dipole moments for 57 different states of atoms, molecules, and to the ground state energies and the elements of 2-RDM for the Hubbard model. We explore the well-known N-representability conditions (P, Q, and G) together with the more recent and much stronger T1 and T2(') conditions. T2(') condition was recently rederived and it implies T2 condition. Using these N-representability conditions, we can usually calculate correlation energies in percentage ranging from 100% to 101%, whose accuracy is similar to CCSD(T) and even better for high spin states or anion systems where CCSD(T) fails. Highly accurate calculations are carried out by handling equality constraints and/or developing multiple precision arithmetic in the semidefinite programming (SDP) solver. Results show that handling equality constraints correctly improves the accuracy from 0.1 to 0.6 mhartree. Additionally, improvements by replacing T2 condition with T2(') condition are typically of 0.1-0.5 mhartree. The newly developed multiple precision arithmetic version of SDP solver calculates extraordinary accurate energies for the one dimensional Hubbard model and Be atom. It gives at least 16 significant digits for energies, where double precision calculations gives only two to eight digits. It also provides physically meaningful results for the Hubbard model in the high correlation limit.

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

DOE PAGES

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

2014-12-29

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

The degree and nature of radiation damage in zircon observed by 29Si nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Farnan, I.; Salje, E. K. H.

2001-02-01

A quantitative analysis of 29Si nuclear magnetic resonance spectra of radiation damaged, natural zircons showed that the local structure in crystalline and amorphous regions depend explicitly on radiation dose. Nonpercolating amorphous islands of high density "glass" within the crystalline matrix show a low interconnectivity of SiO4 tetrahedra. This structural state is quite different from that of the high dose, percolating regions of low density glass with more polymerised tetrahedra. A continuous nonlinear dose dependence between the high and low density glass states is reported. A continuous evolution of the local structure of the crystalline phase up to the percolation point is also reported. No phase separation into binary oxides was observed. The total number of permanently displaced atoms per α-recoil event is ˜3800 atoms for low radiation doses and decreases to ˜2000 atoms for 10×1018 α events/g. No indication of partitioning of paramagnetic impurities between crystalline and amorphous regions was found for these natural zircons. The amorphous fractions of the metamict zircons were determined as a function of their accumulated radiation dose. These values coincide closely with those recently determined by x-ray diffraction studies. They are much greater than previously assumed based on density measurements. The dose dependence is consistent with the concept of direct impact amorphization in the atomic cascade following an α-recoil event.

Determination of bulk and interface density of states in metal oxide semiconductor thin-film transistors by using capacitance-voltage characteristics

NASA Astrophysics Data System (ADS)

Wei, Xixiong; Deng, Wanling; Fang, Jielin; Ma, Xiaoyu; Huang, Junkai

2017-10-01

A physical-based straightforward extraction technique for interface and bulk density of states in metal oxide semiconductor thin film transistors (TFTs) is proposed by using the capacitance-voltage (C-V) characteristics. The interface trap density distribution with energy has been extracted from the analysis of capacitance-voltage characteristics. Using the obtained interface state distribution, the bulk trap density has been determined. With this method, for the interface trap density, it is found that deep state density nearing the mid-gap is approximately constant and tail states density increases exponentially with energy; for the bulk trap density, it is a superposition of exponential deep states and exponential tail states. The validity of the extraction is verified by comparisons with the measured current-voltage (I-V) characteristics and the simulation results by the technology computer-aided design (TCAD) model. This extraction method uses non-numerical iteration which is simple, fast and accurate. Therefore, it is very useful for TFT device characterization.

Unravelling the magnetism, high spin polarization and thermoelectric efficiency of ZrFeSi half-Heusler

NASA Astrophysics Data System (ADS)

Yousuf, Saleem; Gupta, D. C.

2018-04-01

We report the systematic investigation of structural properties, occupancy of density of states, nature of bonding and thermoelectric efficiency of half-Heusler ZrFeSi. The band structure analysis predicts the hybridization of Zr-d and Fe-d metal atoms resulting in occupation of density of states above the Fermi level (EF) while Fe-p and Si-p occupy the lower energy states below the EF. Thermoelectric transport coefficients are predicted using the Boltzmann transport theory under constant relaxation approximation, where Seebeck coefficient (S), total thermal conductivity and figure of merit are calculated. The negative value of total S as -14.02 μV/K predicts the material as n-type with thermoelectric figure of merit (zT) of 0.5 at 800 K. The lattice thermal conductivity decreases with increasing temperature with room temperature value of 4.18 W/mK and shows a significant reduction towards higher temperatures. In view of above elements, structural stability, high zT, ZrFeSi alloy have the capabilities to stimulate experimental verification as a promising materials for high temperature power generation and spintronic device fabrications.

Equation of State for Detonation Product Gases

NASA Astrophysics Data System (ADS)

Nagayama, Kunihito; Kubota, Shiro

2013-06-01

Based on the empirical linear relationship between detonation velocity and loading density, an approximate description for the Chapman-Jouguet state for detonation product gases of solid phase high explosives has been developed. Provided that the Grüneisen parameter is a function only of volume, systematic and closed system of equations for the Grüneisen parameter and CJ volume have been formulated. These equations were obtained by combining this approximation with the Jones-Stanyukovich-Manson relation together with JWL isentrope for detonation of crystal density PETN. A thermodynamic identity between the Grüneisen parameter and another non-dimensional material parameter introduced by Wu and Jing can be used to derive the enthalpy-pressure-volume equation of state for detonation gases. This Wu-Jing parameter is found to be the ratio of the Grüneisen parameter and the adiabatic index. Behavior of this parameter as a function of pressure was calculated and revealed that their change with pressure is very gradual. By using this equation of state, several isentropes down from the Chapman-Jouguet states reached by four different lower initial density PETN have been calculated and compared with available cylinder expansion tests.

Cyclic evolution of the electron temperature and density in dusty low-pressure radio frequency plasmas with pulsed injection of hexamethyldisiloxane

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

Garofano, V.; Stafford, L., E-mail: luc.stafford@umontreal.ca, E-mail: kremena.makasheva@laplace.univ-tlse.fr; Despax, B.

2015-11-02

Optical emission spectroscopy was used to analyze the very-low-frequency cyclic evolution of the electron energy and density caused by repetitive formation and loss of dust nanoparticles in argon plasmas with pulsed injection of hexamethyldisiloxane (HMDSO, [CH{sub 3}]{sub 6}Si{sub 2}O). After elaborating a Boltzmann diagram for Ar high-lying levels and a collisional-radiative model for Ar 2p (Paschen notation) states, temperatures characterizing the low- and high-energy parts of the electron population were calculated. Relative electron densities were also estimated from relative line emission intensities. Both temperatures increase when the dust occupation increases, and then decrease when dust is lost. The opposite trendmore » was observed for the electron density. Such cyclic behaviors of the electron energy and electron density in the HMDSO-containing plasmas are in good agreement with the evolution processes in dusty plasmas, in which the formation of negative ions followed by an electron attachment on the surfaces of the nanoparticles is a critical phenomenon driving dust growth.« less

Entanglement and magnetism in high-spin graphene nanodisks

NASA Astrophysics Data System (ADS)

Hagymási, I.; Legeza, Ö.

2018-01-01

We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate many-body techniques since the widely used density-functional theory with local density approximation or Hartree-Fock methods cannot handle the strong quantum fluctuations. Applying the unbiased density-matrix renormalization group algorithm we calculate the magnetization and entanglement patterns with high accuracy for different interaction strengths and compare them to the mean-field results. With the help of quantum information analysis and subsystem density matrices we reveal that the edges are strongly entangled with each other. We also address the effect of electron and hole doping and demonstrate that the magnetic properties of triangular nanoflakes can be controlled by an electric field, which reveals features of flat-band ferromagnetism. This may open up new avenues in graphene based spintronics.

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

NASA Astrophysics Data System (ADS)

Fourrate, K.; Loulidi, M.

2006-01-01

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

Importance of atomic oxygen in preheating zone in plasma-assisted combustion of a steady-state premixed burner flame

NASA Astrophysics Data System (ADS)

Zaima, K.; Akashi, H.; Sasaki, K.

2015-09-01

It is widely believed that electron impact processes play essential roles in plasma-assisted combustion. However, the concrete roles of high-energy electrons have not been fully understood yet. In this work, we examined the density of atomic oxygen in a premixed burner flame with the superposition of dielectric barrier discharge (DBD). The density of atomic oxygen in the reaction zone was not affected by the superposition of DBD, indicating that the amount of atomic oxygen produced by combustion reactions was much larger than that produced by electron impact processes. On the other hand, in the preheating zone, we observed high-frequency oscillation of the density of atomic oxygen at the timings of the pulsed current of DBD. The oscillation suggests the rapid consumption of additional atomic oxygen by combustion reactions. A numerical simulation using Chemkin indicates the shortened ignition delay time when adding additional atomic oxygen in the period of low-temperature oxidation. The present results reveals the importance of atomic oxygen, which is produced by the effect of high-energy electrons, in the preheating zone in plasma-assisted combustion of the steady-state premixed burner flame.

Evolution of heterogeneity accompanying sol-gel transitions in a supramolecular hydrogel.

PubMed

Matsumoto, Yuji; Shundo, Atsuomi; Ohno, Masashi; Tsuruzoe, Nobutomo; Goto, Masahiro; Tanaka, Keiji

2017-10-18

When a peptide amphiphile is dispersed in water, it self-assembles into a fibrous network, leading to a supramolecular hydrogel. When the gel is physically disrupted by shaking, it transforms into a sol state. After aging at room temperature for a while, it spontaneously returns to the gel state, called sol-gel transition. However, repeating the sol-gel transition often causes a change in the rheological properties of the gel. To gain a better understanding of the sol-gel transition and its reversibility, we herein examined the thermal motion of probe particles at different locations in a supramolecular hydrogel. The sol obtained by shaking the gel was heterogeneous in terms of the rheological properties and the extent decreased with increasing aging time. This time course of heterogeneity, or homogeneity, which corresponded to the sol-to-gel transition, was observed for the 1st cycle. However, this was not the case for the 2nd and 3rd cycles; the heterogeneity was preserved even after aging. Fourier-transform infrared spectroscopy, small-angle X-ray scattering, and atomic force and confocal laser scanning microscopies revealed that, although the molecular aggregation states of amphiphiles both in the gel and sol remained unchanged with the cycles, the fibril density diversified to high and low density regions even after aging. The tracking of particles with different sizes indicated that the partial mesh size in the high density region and the characteristic length scale of the density fluctuation were smaller than 50 nm and 6 μm, respectively.

Low-temperature high-density magneto-optical trapping of potassium using the open 4S{yields}5P transition at 405 nm

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

McKay, D. C.; Jervis, D.; Fine, D. J.

2011-12-15

We report the laser cooling and trapping of neutral potassium on an open transition. Fermionic {sup 40}K is captured using a magneto-optical trap (MOT) on the closed 4S{sub 1/2}{yields}4P{sub 3/2} transition at 767 nm and then transferred, with high efficiency, to a MOT on the open 4S{sub 1/2}{yields}5P{sub 3/2} transition at 405 nm. Because the 5P{sub 3/2} state has a smaller linewidth than the 4P{sub 3/2} state, the Doppler limit is reduced from 145 {mu}K to 24 {mu}K, and we observe temperatures as low as 63(6) {mu}K. The density of trapped atoms also increases, due to reduced temperature and reducedmore » expulsive light forces. We measure a two-body loss coefficient of {beta}=1.4(1)x10{sup -10} cm{sup 3}/s near saturation intensity, and estimate an upper bound of 8x10{sup -18} cm{sup 2} for the ionization cross section of the 5P state at 405 nm. The combined temperature and density improvement in the 405 nm MOT is a twenty-fold increase in phase-space density over our 767 nm MOT, showing enhanced precooling for quantum gas experiments. A qualitatively similar enhancement is observed in a 405 nm MOT of bosonic {sup 41}K.« less

Effect of density of states peculiarities on Hund's metal behavior

NASA Astrophysics Data System (ADS)

Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I.

2018-03-01

We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model and compare its results to the five-band model with realistic density of states of iron and nickel, showing that the obtained results are more general, provided that the hybridization between states of different symmetry is sufficiently small. We find that quasiparticle damping and the formation of local magnetic moments due to Hund's exchange interaction are enhanced by both the density of states asymmetry, which yields stronger correlated electron or hole excitations, and the larger density of states at the Fermi level, increasing the number of virtual electron-hole excitations. For realistic densities of states, these two factors are often interrelated because the Fermi level is attracted towards peaks of the density of states. We discuss the implication of the obtained results to various substances and compounds, such as transition metals, iron pnictides, and cuprates.

Temperature-dependent band structure of SrTiO3 interfaces

NASA Astrophysics Data System (ADS)

Raslan, Amany; Lafleur, Patrick; Atkinson, W. A.

2017-02-01

We build a theoretical model for the electronic properties of the two-dimensional (2D) electron gas that forms at the interface between insulating SrTiO3 and a number of polar cap layers, including LaTiO3, LaAlO3, and GdTiO3. The model treats conduction electrons within a tight-binding approximation and the dielectric polarization via a Landau-Devonshire free energy that incorporates strontium titanate's strongly nonlinear, nonlocal, and temperature-dependent dielectric response. The self-consistent band structure comprises a mix of quantum 2D states that are tightly bound to the interface and quasi-three-dimensional (3D) states that extend hundreds of unit cells into the SrTiO3 substrate. We find that there is a substantial shift of electrons away from the interface into the 3D tails as temperature is lowered from 300 K to 10 K. This shift is least important at high electron densities (˜1014cm-2 ) but becomes substantial at low densities; for example, the total electron density within 4 nm of the interface changes by a factor of two for 2D electron densities ˜1013cm-2 . We speculate that the quasi-3D tails form the low-density high-mobility component of the interfacial electron gas that is widely inferred from magnetoresistance measurements.

A Multidose Study to Examine the Effect of Food on Evacetrapib Exposure at Steady State

PubMed Central

Zhang, Wei; Royalty, Jane; Cannady, Ellen A.; Downs, Delyn; Friedrich, Stuart; Suico, Jeffrey G.

2015-01-01

Purpose: To determine the effect of a high-fat meal on evacetrapib exposure at steady state in healthy participants. Methods: This was a randomized, 2-period, 2-sequence, open-label, crossover study. Patients were randomly assigned to 1 of the 2 treatment sequences in which they received evacetrapib 130 mg/d for 10 days following a 10-hour fast each day or following a high-fat breakfast each day. Plasma samples collected through 24 hours were analyzed for evacetrapib concentrations and pharmacokinetic parameter estimates including area under the concentration–time curve during a dosing interval (AUCτ), maximum observed concentration (Cmax), and time of Cmax (tmax) were calculated. Pharmacodynamic parameters, including cholesteryl ester transfer protein (CETP) activity, high-density lipoprotein cholesterol (HDL-C), low-density lipoprotein cholesterol (LDL-C), total cholesterol, and triglycerides, were also assessed. Results: A total of 34 males and 6 females, mean age 41.5 years and mean body mass index 26.6 kg/m2, were enrolled. Statistical analysis showed AUCτ was 44% higher (90% confidence interval [CI]: 29%-62%) and Cmax was 51% higher (90% CI: 28%-79%) in the fed state than in the fasted state, indicating an effect of food. Consistent with higher evacetrapib exposure, changes in HDL-C, LDL-C, and CETP activity appeared to be greater in the fed state than in the fasted state. There were no notable changes in total cholesterol or triglycerides following administration in the fed and fasted states. The 130-mg doses of evacetrapib were well tolerated with and without food. Conclusion: A high-fat meal increased evacetrapib mean exposure at steady state by 44% in healthy participants. PMID:25736283

Solid-state supercapacitors with ionic liquid gel polymer electrolyte based on poly (3, 4-ethylenedioxythiophene), carbon nanotubes, and metal oxides nanocomposites for electrical energy storage

NASA Astrophysics Data System (ADS)

Obeidat, Amr M.

Clean and renewable energy systems have emerged as an important area of research having diverse and significant new applications. These systems utilize different energy storage methods such as the batteries and supercapacitors. Supercapacitors are electrochemical energy storage devices that are designed to bridge the gap between batteries and conventional capacitors. Supercapacitors which store electrical energy by electrical double layer capacitance are based on large surface area structured carbons. The materials systems in which the Faradaic reversible redox reactions store electrical energy are the transition metal oxides and electronically conducting polymers. Among the different types of conducting polymers, poly (3, 4- ethylenedioxythiophene) (PEDOT) is extensively investigated owing to its chemical and mechanical stability. Due to instability of aqueous electrolytes at high voltages and toxicity of organic electrolytes, potential of supercapacitors has not been fully exploited. A novel aspect of this work is in utilizing the ionic liquid gel polymer electrolyte to design solid-state supercapacitors for energy storage. Various electrochemical systems were investigated including graphene, PEDOT, PEDOT-carbon nanotubes, PEDOT-manganese oxide, and PEDOT-iron oxide nanocomposites. The electrochemical performance of solid-state supercapacitor devices was evaluated based on cyclic voltammetry (CV), charge-discharge (CD), prolonged cyclic tests, and electrochemical impedance spectroscopy (EIS) techniques. Raman spectroscopy technique was also utilized to analyze the bonding structure of the electrode materials. The graphene solid-state supercapacitor system displayed areal capacitance density of 141.83 mF cm-2 based on high potential window up to 4V. The PEDOT solid-state supercapacitor system was synthesized in acetonitrile and aqueous mediums achieving areal capacitance density of 219.17 mF cm-2. The hybrid structure of solid-state supercapacitors was also studied in solid-state design based on PEDOT and graphene electrodes that produced areal capacitance density of 198.26 mF cm-2. Symmetrical PEDOT-manganese oxide nanocomposites were synthesized by co-deposition and dip-coating techniques to fabricate solid-state supercapacitor systems achieving areal capacitance density of 122.08 mF cm-2 credited to the PEDOT-MnO2 supercapacitor that was synthesized by dipping the PEDOT electrode in pure KMnO4 solution. The electrochemical performance of PEDOT-carbon nanotube solid-state supercapacitors was also investigated in both acetonitrile and aqueous medium showing good dispersion characteristics with optimum CNT content of 1 mg. The PEDOT-CNT solid-state supercapacitor system synthesized in acetonitrile displayed areal capacitance density of 297.43 mF cm-2. PEDOT-Fe2O3 nanocomposites were synthesized by single-step co-deposition techniques, and these were used to fabricate solid-state supercapacitors achieving areal capacitance density of 96.89 mF cm-2. Furthermore, some of these thin flexible solid-state supercapacitors were integrated with solar cells for direct storage of solar electricity, which proved to be promising as autonomous power source for flexible and wearable electronics. This dissertation describes the electrode synthesis, design and properties of solid-state supercapacitors, and their electrochemical performance in the storage of electrical energy.

All-solid-state flexible supercapacitors based on papers coated with carbon nanotubes and ionic-liquid-based gel electrolytes.

PubMed

Kang, Yu Jin; Chung, Haegeun; Han, Chi-Hwan; Kim, Woong

2012-02-17

All-solid-state flexible supercapacitors were fabricated using carbon nanotubes (CNTs), regular office papers, and ionic-liquid-based gel electrolytes. Flexible electrodes were made by coating CNTs on office papers by a drop-dry method. The gel electrolyte was prepared by mixing fumed silica nanopowders with ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf(2)]). This supercapacitor showed high power and energy performance as a solid-state flexible supercapacitor. The specific capacitance of the CNT electrodes was 135 F g(-1) at a current density of 2 A g(-1), when considering the mass of active materials only. The maximum power and energy density of the supercapacitors were 164 kW kg(-1) and 41 Wh kg(-1), respectively. Interestingly, the solid-state supercapacitor with the gel electrolyte showed comparable performance to the supercapacitors with ionic-liquid electrolyte. Moreover, the supercapacitor showed excellent stability and flexibility. The CNT/paper- and gel-based supercapacitors may hold great potential for low-cost and high-performance flexible energy storage applications.

All-solid-state flexible supercapacitors based on papers coated with carbon nanotubes and ionic-liquid-based gel electrolytes

NASA Astrophysics Data System (ADS)

Kang, Yu Jin; Chung, Haegeun; Han, Chi-Hwan; Kim, Woong

2012-02-01

All-solid-state flexible supercapacitors were fabricated using carbon nanotubes (CNTs), regular office papers, and ionic-liquid-based gel electrolytes. Flexible electrodes were made by coating CNTs on office papers by a drop-dry method. The gel electrolyte was prepared by mixing fumed silica nanopowders with ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]). This supercapacitor showed high power and energy performance as a solid-state flexible supercapacitor. The specific capacitance of the CNT electrodes was 135 F g-1 at a current density of 2 A g-1, when considering the mass of active materials only. The maximum power and energy density of the supercapacitors were 164 kW kg-1 and 41 Wh kg-1, respectively. Interestingly, the solid-state supercapacitor with the gel electrolyte showed comparable performance to the supercapacitors with ionic-liquid electrolyte. Moreover, the supercapacitor showed excellent stability and flexibility. The CNT/paper- and gel-based supercapacitors may hold great potential for low-cost and high-performance flexible energy storage applications.

High performance computing to support multiscale representation of hydrography for the conterminous United States

USGS Publications Warehouse

Stanislawski, Larry V.; Liu, Yan; Buttenfield, Barbara P.; Survila, Kornelijus; Wendel, Jeffrey; Okok, Abdurraouf

2016-01-01

The National Hydrography Dataset (NHD) for the United States furnishes a comprehensive set of vector features representing the surface-waters in the country (U.S. Geological Survey 2000). The high-resolution (HR) layer of the NHD is largely comprised of hydrographic features originally derived from 1:24,000-scale (24K) U.S. Topographic maps. However, in recent years (2009 to present) densified hydrographic feature content, from sources as large as 1:2,400, have been incorporated into some watersheds of the HR NHD within the conterminous United States to better support the needs of various local and state organizations. As such, the HR NHD is a multiresolution dataset with obvious data density variations because of scale changes. In addition, data density variations exist within the HR NHD that are particularly evident in the surface-water flow network (NHD flowlines) because of natural variations of local geographic conditions; and also because of unintentional compilation inconsistencies due to variations in data collection standards and climate conditions over the many years of 24K hydrographic data collection (US Geological Survey 1955).

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Density functional theory calculations of continuum lowering in strongly coupled plasmas.

PubMed

Vinko, S M; Ciricosta, O; Wark, J S

2014-03-24

An accurate description of the ionization potential depression of ions in plasmas due to their interaction with the environment is a fundamental problem in plasma physics, playing a key role in determining the ionization balance, charge state distribution, opacity and plasma equation of state. Here we present a method to study the structure and position of the continuum of highly ionized dense plasmas using finite-temperature density functional theory in combination with excited-state projector augmented-wave potentials. The method is applied to aluminium plasmas created by intense X-ray irradiation, and shows excellent agreement with recently obtained experimental results. We find that the continuum lowering for ions in dense plasmas at intermediate temperatures is larger than predicted by standard plasma models and explain this effect through the electronic structure of the valence states in these strong-coupling conditions.

A new gridded on-road CO2 emissions inventory for the United States, 1980-2011

NASA Astrophysics Data System (ADS)

Gately, C.; Hutyra, L.; Sue Wing, I.

2013-12-01

On-road transportation is responsible for 28% of all U.S. fossil fuel CO2 emissions. However, mapping vehicle emissions at regional scales is challenging due to data limitations. Existing emission inventories have used spatial proxies such as population and road density to downscale national or state level data, which may introduce errors where the proxy variables and actual emissions are weakly correlated. We have developed a national on-road emissions inventory product based on roadway-level traffic data obtained from the Highway Performance Monitoring System. We produce annual estimates of on-road CO2 emissions at a 1km spatial resolution for the contiguous United States for the years 1980 through 2011. For the year 2011 we also produce an hourly emissions product at the 1km scale using hourly traffic volumes from hundreds of automated traffic counters across the country. National on-road emissions rose at roughly 2% per year from 1980 to 2006, with emissions peaking at 1.71 Tg CO2 in 2007. However, while national emissions have declined 6% since the peak, we observe considerable regional variation in emissions trends post-2007. While many states show stable or declining on-road emissions, several states and metropolitan areas in the Midwest, mountain west and south had emissions increases of 3-10% from 2008 to 2011. Our emissions estimates are consistent with state-reported totals of gasoline and diesel fuel consumption. This is in contrast to on-road CO2 emissions estimated by the Emissions Database of Global Atmospheric Research (EDGAR), which we show to be inconsistent in matching on-road emissions to published fuel consumption at the scale of U.S. states, due to the non-linear relationships between emissions and EDGAR's chosen spatial proxies at these scales. Since our emissions estimates were generated independent of population density and other demographic data, we were able to conduct a panel regression analysis to estimate the relationship between these variables and on-road CO2 at various spatial scales. In the case of Massachusetts we find a non-linear relationship between emissions and population density indicating that increasing density resulted in increased emissions when density is less than 2000 persons-km-2. These results highlight the value of using an emissions inventory with high spatial and temporal resolution. At coarser spatial scales, much of the variation in population density and on-road emissions between towns is lost due to aggregation. The high spatial resolution and broad temporal scope of our CO2 estimates provides a basis for analyses to support emissions monitoring, verification and mitigation policies at regional, state and local scale.

Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Errington, Jeffrey R.

2003-06-01

An approach for directly determining the liquid-vapor phase equilibrium of a model system at any temperature along the coexistence line is described. The method relies on transition matrix Monte Carlo ideas developed by Fitzgerald, Picard, and Silver [Europhys. Lett. 46, 282 (1999)]. During a Monte Carlo simulation attempted transitions between states along the Markov chain are monitored as opposed to tracking the number of times the chain visits a given state as is done in conventional simulations. Data collection is highly efficient and very precise results are obtained. The method is implemented in both the grand canonical and isothermal-isobaric ensemble. The main result from a simulation conducted at a given temperature is a density probability distribution for a range of densities that includes both liquid and vapor states. Vapor pressures and coexisting densities are calculated in a straightforward manner from the probability distribution. The approach is demonstrated with the Lennard-Jones fluid. Coexistence properties are directly calculated at temperatures spanning from the triple point to the critical point.

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

PubMed

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

2018-02-16

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

Amorphous to amorphous transition in particle rafts

NASA Astrophysics Data System (ADS)

Varshney, Atul; Sane, A.; Ghosh, Shankar; Bhattacharya, S.

2012-09-01

Space-filling assemblies of athermal hydrophobic particles floating at an air-water interface, called particle rafts, are shown to undergo an unusual phase transition between two amorphous states, i.e., a low density “less-rigid” state and a high density “more-rigid” state, as a function of particulate number density (Φ). The former is shown to be a capillary bridged solid and the latter is shown to be a frictionally coupled one. Simultaneous studies involving direct imaging as well as measuring its mechanical response to longitudinal and shear stresses show that the transition is marked by a subtle structural anomaly and a weakening of the shear response. The structural anomaly is identified from the variation of the mean coordination number, mean area of the Voronoi cells, and spatial profile of the displacement field with Φ. The weakened shear response is related to local plastic instabilities caused by the depinning of the contact line of the underlying fluid on the rough surfaces of the particles.

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

DOE PAGES

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

2015-09-03

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

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

[Functional state of various physiological systems of the human body during respiration of neon-oxygen mixture at depth up to 400 meters].

PubMed

Poleshuk, I P; Genin, A M; Unku, R D; Mikhnenko, A E; Sementsov, V N; Suvorov, A V

1991-01-01

Hyperbaric neon-oxygen mixture has been studied for the effect of its high density under pressure of 41 ata on basic physiological functions of human organism. Typical changes of the cardiorespiratory system and tissue respiration parameters are revealed. Changes in physical working capacity are shown. Exposure to gaseous medium of high pressure and density is accompanied by the development of some compensatory-adaptive reactions. The possibility to perform mid-hard physical work is attained with overstrain of respiration and circulation function.

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

PubMed

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

2018-02-01

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

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.

Estimation of energy density of Li-S batteries with liquid and solid electrolytes

NASA Astrophysics Data System (ADS)

Li, Chunmei; Zhang, Heng; Otaegui, Laida; Singh, Gurpreet; Armand, Michel; Rodriguez-Martinez, Lide M.

2016-09-01

With the exponential growth of technology in mobile devices and the rapid expansion of electric vehicles into the market, it appears that the energy density of the state-of-the-art Li-ion batteries (LIBs) cannot satisfy the practical requirements. Sulfur has been one of the best cathode material choices due to its high charge storage (1675 mAh g-1), natural abundance and easy accessibility. In this paper, calculations are performed for different cell design parameters such as the active material loading, the amount/thickness of electrolyte, the sulfur utilization, etc. to predict the energy density of Li-S cells based on liquid, polymeric and ceramic electrolytes. It demonstrates that Li-S battery is most likely to be competitive in gravimetric energy density, but not volumetric energy density, with current technology, when comparing with LIBs. Furthermore, the cells with polymer and thin ceramic electrolytes show promising potential in terms of high gravimetric energy density, especially the cells with the polymer electrolyte. This estimation study of Li-S energy density can be used as a good guidance for controlling the key design parameters in order to get desirable energy density at cell-level.

Rationally designed polyimides for high-energy density capacitor applications.

PubMed

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

2014-07-09

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

Aging characteristics of blue InGaN micro-light emitting diodes at an extremely high current density of 3.5 kA cm-2

NASA Astrophysics Data System (ADS)

Tian, Pengfei; Althumali, Ahmad; Gu, Erdan; Watson, Ian M.; Dawson, Martin D.; Liu, Ran

2016-04-01

The aging characteristics of blue InGaN micro-light emitting diodes (micro-LEDs) with different sizes have been studied at an extremely high current density 3.5 kA cm-2 for emerging micro-LED applications including visible light communication (VLC), micro-LED pumped organic lasers and optogenetics. The light output power of micro-LEDs first increases and then decreases due to the competition of Mg activation in p-GaN layer and defect generation in the active region. The smaller micro-LEDs show less light output power degradation compared with larger micro-LEDs, which is attributed to the lower junction temperature of smaller micro-LEDs. It is found that the high current density without additional junction temperature cannot induce significant micro-LED degradation at room temperature but the combination of the high current density and high junction temperature leads to strong degradation. Furthermore, the cluster LEDs, composed of a micro-LED array, have been developed with both high light output power and less light output degradation for micro-LED applications in solid state lighting and VLC.

Equations of state and anisotropy of Fe-Ni-Si alloys

NASA Astrophysics Data System (ADS)

Morrison, R. A.; Jackson, J. M.; Sturhahn, W.; Zhang, D.; Greenberg, E.

2017-12-01

Seismic observations provide constraints on the density, bulk sound speed, and bulk modulus of Earth's inner core, and x-ray diffraction (XRD) experiments can experimentally constrain such properties of iron alloys. The deviation of these seismically-inferred values from the properties of iron suggests the presence of light elements (e.g. Si, O, S, C, H) inside the core. While cosmochemical studies suggest Earth's core is composed primarily of iron alloyed with 5 wt% nickel, existing experimental XRD studies constraining pressure-density relations have predominantly focused on iron and iron alloyed with light elements, while neglecting the effect of nickel. In this study, we present high-precision equations of state for bcc- and hcp-structured Fe0.91Ni0.09 and Fe0.80Ni0.10Si0.10 using powder XRD at room temperature up to 167 GPa and 175 GPa, respectively. By using tungsten powder as a pressure calibrant and helium as a pressure transmitting medium, we minimize error due to pressure calibration and non-hydrostatic stresses. The results are high fidelity equations of state (EOS). By systematically comparing our findings to an established EOS of hcp-Fe [Dewaele et al. 2006], we constrain the effect of nickel and silicon on the density, bulk sound speed, and bulk modulus of iron alloys, which is a critical step towards constraining the inner core's composition. We find that for iron alloys, high quality ambient temperature EOSs can dramatically improve the extrapolated high temperature equations of state to inner core conditions. By combining seismic observations and their associated uncertainties with our data and existing Fe light-element-alloy EOSs, we estimate their densities, bulk moduli, and bulk sound speeds at inner core conditions and propose an experimentally and seismologically consistent range of inner core compositions. Additionally, we obtain an unprecedented constraint on the effect of nickel and silicon on the axial ratio of iron alloys. Nickel has a measurably distinct effect on the c/a axial ratio of iron, as does alloying iron-nickel with silicon. We investigate the relationship between the c/a axial ratio and elastic anisotropy of iron alloys and discuss the implications for inner core seismic anisotropy.

High-Performance Supercapacitors from Niobium Nanowire Yarns.

PubMed

Mirvakili, Seyed M; Mirvakili, Mehr Negar; Englezos, Peter; Madden, John D W; Hunter, Ian W

2015-07-01

The large-ion-accessible surface area of carbon nanotubes (CNTs) and graphene sheets formed as yarns, forests, and films enables miniature high-performance supercapacitors with power densities exceeding those of electrolytics while achieving energy densities equaling those of batteries. Capacitance and energy density can be enhanced by depositing highly pseudocapacitive materials such as conductive polymers on them. Yarns formed from carbon nanotubes are proposed for use in wearable supercapacitors. In this work, we show that high power, energy density, and capacitance in yarn form are not unique to carbon materials, and we introduce niobium nanowires as an alternative. These yarns show higher capacitance and energy per volume and are stronger and 100 times more conductive than similarly spun carbon multiwalled nanotube (MWNT) and graphene yarns. The long niobium nanowires, formed by repeated extrusion and drawing, achieve device volumetric peak power and energy densities of 55 MW·m(-3) (55 W·cm(-3)) and 25 MJ·m(-3) (7 mWh·cm(-3)), 2 and 5 times higher than that for state-of-the-art CNT yarns, respectively. The capacitance per volume of Nb nanowire yarn is lower than the 158 MF·m(-3) (158 F·cm(-3)) reported for carbon-based materials such as reduced graphene oxide (RGO) and CNT wet-spun yarns, but the peak power and energy densities are 200 and 2 times higher, respectively. Achieving high power in long yarns is made possible by the high conductivity of the metal, and achievement of high energy density is possible thanks to the high internal surface area. No additional metal backing is needed, unlike for CNT yarns and supercapacitors in general, saving substantial space. As the yarn is infiltrated with pseudocapacitive materials such as poly(3,4-ethylenedioxythiophene) (PEDOT), the energy density is further increased to 10 MJ·m(-3) (2.8 mWh·cm(-3)). Similar to CNT yarns, niobium nanowire yarns are highly flexible and show potential for weaving into textiles and use in wearable devices.

Generation of high-density biskyrmions by electric current

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

Peng, Licong; Zhang, Ying; He, Min

Much interest has been focused on the manipulation of magnetic skyrmions, including the generation, annihilation, and motion behaviors, for potential applications in spintronics. We experimentally demonstrate that a high-density Bloch-type biskyrmion lattice in MnNiGa can be generated by applying electric current. It is revealed that the density of biskyrmions can be remarkably increased by increasing the electric current, in contrast to the scattered biskyrmions induced by a magnetic field alone. Furthermore, the transition from the ferromagnetic state to the stripe domain structure can be terminated by the electric current, leading to the biskyrmions dominated residual domain pattern. These biskyrmions inmore » such residual domain structure are extremely stable at zero magnetic and electric fields and can further evolve into the high-density biskyrmion lattice over a temperature range from 100 to 330 K. Finally, our experimental findings open up a new pathway for the generation of skyrmion lattice by electric current manipulation.« less

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

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

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

2014-11-03

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

Generation of high-density biskyrmions by electric current

DOE PAGES

Peng, Licong; Zhang, Ying; He, Min; ...

2017-06-16

Much interest has been focused on the manipulation of magnetic skyrmions, including the generation, annihilation, and motion behaviors, for potential applications in spintronics. We experimentally demonstrate that a high-density Bloch-type biskyrmion lattice in MnNiGa can be generated by applying electric current. It is revealed that the density of biskyrmions can be remarkably increased by increasing the electric current, in contrast to the scattered biskyrmions induced by a magnetic field alone. Furthermore, the transition from the ferromagnetic state to the stripe domain structure can be terminated by the electric current, leading to the biskyrmions dominated residual domain pattern. These biskyrmions inmore » such residual domain structure are extremely stable at zero magnetic and electric fields and can further evolve into the high-density biskyrmion lattice over a temperature range from 100 to 330 K. Finally, our experimental findings open up a new pathway for the generation of skyrmion lattice by electric current manipulation.« less

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.

Genetic parameters for the prediction of abdominal fat traits using blood biochemical indicators in broilers.

PubMed

Zhang, H L; Xu, Z Q; Yang, L L; Wang, Y X; Li, Y M; Dong, J Q; Zhang, X Y; Jiang, X Y; Jiang, X F; Li, H; Zhang, D X; Zhang, H

2018-02-01

1. Excessive deposition of body fat, especially abdominal fat, is detrimental in chickens and the prevention of excessive fat accumulation is an important problem. The aim of this study was to identify blood biochemical indicators that could be used as criteria to select lean Yellow-feathered chicken lines. 2. Levels of blood biochemical indicators in the fed and fasted states and the abdominal fat traits were measured in 332 Guangxi Yellow chickens. In the fed state, the genetic correlations (r g ) of triglycerides and very low density lipoprotein levels were positive for the abdominal fat traits (0.47 ≤ r g  ≤ 0.67), whereas total cholesterol, high-density lipoprotein cholesterol (HDL-C) and low-density lipoprotein cholesterol (LDL-C) showed higher negative correlations with abdominal fat traits (-0.59 ≤ r g  ≤ -0.33). Heritabilities of these blood biochemical parameters were high, varying from 0.26 to 0.60. 3. In the fasted state, HDL-C:LDL-C level was positively correlated with abdominal fat traits (0.35 ≤ r g  ≤ 0.38), but triglycerides, total cholesterol, HDL-C, LDL-C, total protein, albumin, aspartate transaminase, uric acid and creatinine levels were negatively correlated with abdominal fat traits (-0.79 ≤ r g  ≤ -0.35). The heritabilities of these 10 blood biochemical parameters were high (0.22 ≤ h 2  ≤ 0.59). 4. In the fed state, optimal multiple regression models were constructed to predict abdominal fat traits by using triglycerides and LDL-C. In the fasted state, triglycerides, total cholesterol, HDL-C, LDL-C, total protein, albumin and uric acid could be used to predict abdominal fat content. 5. It was concluded that these models in both nutritional states could be used to predict abdominal fat content in Guangxi Yellow broiler chickens.

Multiphonon: Phonon Density of States tools for Inelastic Neutron Scattering Powder Data

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

Y. Y. Lin, Jiao; Islam, Fahima; Kresh, Max

The multiphonon python package calculates phonon density of states, a reduced representation of vibrational property of condensed matter (see, for example, Section “Density of Normal Modes” in Chapter 23 “Quantum Theory of the Harmonic Crystal” of (Ashcroft and Mermin 2011)), from inelastic neutron scattering (see, for example (B. Fultz et al. 2006–2016)) spectrum from a powder sample. Inelastic neutron spectroscopy (INS) is a probe of excitations in solids of vibrational or magnetic origins. In INS, neutrons can lose(gain) energy to(from) the solid in the form of quantized lattice vibrations – phonons. Measuring phonon density of states is usually the firstmore » step in determining the phonon properties of a material experimentally. Phonons play a very important role in understanding the physical properties of a solid, including thermal conductivity and electrical conductivity. Hence, INS is an important tool for studying thermoelectric materials (Budai et al. 2014, Li et al. (2015)), where low thermal conductivity and high electrical conductivity are desired. Study of phonon entropy also made important contributions to the research of thermal dynamics and phase stability of materials (B. Fultz 2010, bogdanoff2002phonon, swan2006vibrational).« less

Extreme ultraviolet probing of nonequilibrium dynamics in high energy density germanium

NASA Astrophysics Data System (ADS)

Principi, E.; Giangrisostomi, E.; Mincigrucci, R.; Beye, M.; Kurdi, G.; Cucini, R.; Gessini, A.; Bencivenga, F.; Masciovecchio, C.

2018-05-01

Intense femtosecond infrared laser pulses induce a nonequilibrium between thousands of Kelvin hot valence electrons and room-temperature ions in a germanium sample foil. The evolution of this exotic state of matter is monitored with time-resolved extreme ultraviolet absorption spectroscopy across the Ge M2 ,3 edge (≃30 eV ) using the FERMI free-electron laser. We analyze two distinct regimes in the ultrafast dynamics in laser-excited Ge: First, on a subpicosecond time scale, the electron energy distribution thermalizes to an extreme temperature unreachable in equilibrium solid germanium; then, during the following picoseconds, the lattice reacts strongly altering the electronic structure and resulting in melting to a metallic state alongside a breakdown of the local atomic order. Data analysis, based on a hybrid approach including both numerical and analytical calculations, provides an estimation of the electron and ion temperatures, the electron density of states, the carrier-phonon relaxation time, as well as the carrier density and lattice heat capacity under those extreme nonequilibrium conditions. Related structural anomalies, such as the occurrence of a transient low-density liquid phase and the possible drop in lattice heat capacity are discussed.

Ising tricriticality in the extended Hubbard model with bond dimerization

NASA Astrophysics Data System (ADS)

Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.

We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).

Multiphonon: Phonon Density of States tools for Inelastic Neutron Scattering Powder Data

DOE PAGES

Y. Y. Lin, Jiao; Islam, Fahima; Kresh, Max

2018-01-29

The multiphonon python package calculates phonon density of states, a reduced representation of vibrational property of condensed matter (see, for example, Section “Density of Normal Modes” in Chapter 23 “Quantum Theory of the Harmonic Crystal” of (Ashcroft and Mermin 2011)), from inelastic neutron scattering (see, for example (B. Fultz et al. 2006–2016)) spectrum from a powder sample. Inelastic neutron spectroscopy (INS) is a probe of excitations in solids of vibrational or magnetic origins. In INS, neutrons can lose(gain) energy to(from) the solid in the form of quantized lattice vibrations – phonons. Measuring phonon density of states is usually the firstmore » step in determining the phonon properties of a material experimentally. Phonons play a very important role in understanding the physical properties of a solid, including thermal conductivity and electrical conductivity. Hence, INS is an important tool for studying thermoelectric materials (Budai et al. 2014, Li et al. (2015)), where low thermal conductivity and high electrical conductivity are desired. Study of phonon entropy also made important contributions to the research of thermal dynamics and phase stability of materials (B. Fultz 2010, bogdanoff2002phonon, swan2006vibrational).« less

Spectrocopic measurements of water vapor plasmas at high resolution: The optical transition probabilities for OH (A 2 Sigma - X 2 Pi)

NASA Technical Reports Server (NTRS)

Klein, L.

1972-01-01

Emission and absorption spectra of water vapor plasmas generated in a wall-stabilized arc at atmospheric pressure and 4 current, and at 0.03 atm and 15 to 50 A, were measured at high spatial and spectral resolution. The gas temperature was determined from the shape of Doppler-broadened rotational lines of OH. The observed nonequilibrium population distributions over the energy levels of atoms are interpreted in terms of a theoretical state model for diffusion-controlled arc plasmas. Excellent correlation is achieved between measured and predicted occupation of hydrogen energy levels. It is shown that the population distribution over the nonpredissociating rotational-vibrational levels of the A 2 Sigma state of OH is close to an equilibrium distribution at the gas temperature, although the total density of this state is much higher than its equilibrium density. The reduced intensities of the rotational lines originating in these levels yielded Boltzmann plots that were strictly linear.

Equation of State Measurements of Deuterium up to 2 Mbar

NASA Astrophysics Data System (ADS)

Collins, G. W.

1997-04-01

While the hydrogen Equation of State at high density and temperature is integral to many astrophysical and planetary models, few experimental techniques can access the strongly-coupled region where molecular dissociation or electronic excitation occur. High power lasers can access much of this unexplored phase space. We(This work was done in collaboration with L. B. Da Silva, P. Celliers, K. S. Budil, R. Cauble, N. C. Holmes, T. W. Barbee Jr, B. A. Hammel, J. D. Kilkenny, R. J. Wallace, M. Ross, A. Ng and G. Chiu.) present the pressure (from 0.25 to 2.1 Mbar) and density on the first Hugoniot, derived from shock speed, particle speed, and compression measurements of liquid deuterium. Shock waves were produced with the Nova laser. The data show a significant increase in compressibility near 1 Mbar compared to existing widely-used equation of state models. The data are consistent with a thermal molecular dissociation of the diatomic fluid into a monatomic phase.

Measurements of the Shock Release Of Quartz and Paralyene-N

NASA Astrophysics Data System (ADS)

Hawreliak, James; Karasik, Max; Oh, Jaechul; Aglitskiy, Yefim

2017-06-01

The shock and release properties of Quartz and hydrocarbons are important to high energy density (HED) research and inertial confinement fusion (ICF) science. The bulk of HED material research studies single shock or multiple shock conditions. The challenge with measuring release properties is unlike shocks which have a single interface from which to measure the properties, the release establishes gradients in the sample. The streaked x-ray imaging capability of the NIKE laser allow the interface between quartz and CH to be measured during the release, giving measurements of the interface velocity and CH density. Here, we present experimental results from the NIKE laser where quartz and parylene-N are shock compressed to high pressure and temperature and the release state is measured through x-ray imaging. The shock state is characterized by shock front velocity measurements using VISAR and the release state is characterized by using side-on streaked x-ray radiography Work supported by DOE/NNSA.

Identical spin rotation effect and electron spin waves in quantum gas of atomic hydrogen

NASA Astrophysics Data System (ADS)

Lehtonen, L.; Vainio, O.; Ahokas, J.; Järvinen, J.; Novotny, S.; Sheludyakov, S.; Suominen, K.-A.; Vasiliev, S.; Khmelenko, V. V.; Lee, D. M.

2018-05-01

We present an experimental study of electron spin waves in atomic hydrogen gas compressed to high densities of ∼5 × 1018 cm‑3 at temperatures ranging from 0.26 to 0.6 K in the strong magnetic field of 4.6 T. Hydrogen gas is in a quantum regime when the thermal de-Broglie wavelength is much larger than the s-wave scattering length. In this regime the identical particle effects play a major role in atomic collisions and lead to the identical spin rotation effect (ISR). We observed a variety of spin wave modes caused by this effect with strong dependence on the magnetic potential caused by variations of the polarizing magnetic field. We demonstrate confinement of the ISR modes in the magnetic potential and manipulate their properties by changing the spatial profile of the magnetic field. We have found that at a high enough density of H gas the magnons accumulate in their ground state in the magnetic trap and exhibit long coherence, which has a profound effect on the electron spin resonance spectra. Such macroscopic accumulation of the ground state occurs at a certain critical density of hydrogen gas, where the chemical potential of the magnons becomes equal to the energy of their ground state in the trapping potential.

Fabrication of ultrathin solid electrolyte membranes of β-Li 3PS 4 nanoflakes by evaporation-induced self-assembly for all-solid-state batteries

DOE PAGES

Wang, Hui; Hood, Zachary D.; Xia, Younan; ...

2016-04-25

All-solid-state lithium batteries are attractive candidates for next-generation energy storage devices because of their anticipated high energy density and intrinsic safety. Owing to their excellent ionic conductivity and stability with metallic lithium anodes, nanostructured lithium thiophosphate solid electrolytes such as β-Li 3PS 4 have found use in the fabrication of all-solid lithium batteries for large-scale energy storage systems. However, current methods for preparing air-sensitive solid electrolyte membranes of lithium thiophosphates can only generate thick membranes that compromise the battery's gravimetric/volumetric energy density and thus its rate performance. To overcome this limitation, the solid electrolyte's thickness needs to be effectively decreasedmore » to achieve ideal energy density and enhanced rate performance. In this paper, we show that the evaporation-induced self-assembly (EISA) technique produces ultrathin membranes of a lithium thiophosphate solid electrolyte with controllable thicknesses between 8 and 50 μm while maintaining the high ionic conductivity of β-Li 3PS 4 and stability with metallic lithium anodes up to 5 V. Finally, it is clearly demonstrated that this facile EISA approach allows for the preparation of ultrathin lithium thiophosphate solid electrolyte membranes for all-solid-state batteries.« less

A white noise approach to the Feynman integrand for electrons in random media

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

Grothaus, M., E-mail: grothaus@mathematik.uni-kl.de; Riemann, F., E-mail: riemann@mathematik.uni-kl.de; Suryawan, H. P., E-mail: suryawan@mathematik.uni-kl.de

2014-01-15

Using the Feynman path integral representation of quantum mechanics it is possible to derive a model of an electron in a random system containing dense and weakly coupled scatterers [see F. Edwards and Y. B. Gulyaev, “The density of states of a highly impure semiconductor,” Proc. Phys. Soc. 83, 495–496 (1964)]. The main goal of this paper is to give a mathematically rigorous realization of the corresponding Feynman integrand in dimension one based on the theory of white noise analysis. We refine and apply a Wick formula for the product of a square-integrable function with Donsker's delta functions and usemore » a method of complex scaling. As an essential part of the proof we also establish the existence of the exponential of the self-intersection local times of a one-dimensional Brownian bridge. As a result we obtain a neat formula for the propagator with identical start and end point. Thus, we obtain a well-defined mathematical object which is used to calculate the density of states [see, e.g., F. Edwards and Y. B. Gulyaev, “The density of states of a highly impure semiconductor,” Proc. Phys. Soc. 83, 495–496 (1964)].« less

Subfractions of high-density lipoprotein (HDL) and dysfunctional HDL in chronic kidney disease patients.

PubMed

Rysz-Górzyńska, Magdalena; Banach, Maciej

2016-08-01

A number of studies have shown that chronic kidney disease (CKD) is associated with increased risk for cardiovascular disease (CVD). Chronic kidney disease is characterized by significant disturbances in lipoprotein metabolism, including differences in quantitative and qualitative content of high-density lipoprotein (HDL) particles. Recent studies have revealed that serum HDL cholesterol levels do not predict CVD in CKD patients; thus CKD-induced modifications in high-density lipoprotein (HDL) may be responsible for the increase in CV risk in CKD patients. Various methods are available to separate several subclasses of HDL and confirm their atheroprotective properties. However, under pathological conditions associated with inflammation and oxidation, HDL can progressively lose normal biological activities and be converted into dysfunctional HDL. In this review, we highlight the current state of knowledge on subfractions of HDL and HDL dysfunction in CKD.

Access to a New Plasma Edge State with High Density and Pressures using Quiescent H-mode

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

Solomon, Wayne M.; Snyder, P. B.; Burrell, K. H.

2014-07-01

A path to a new high performance regime has been discovered in tokamaks that could improve the attractiveness of a fusion reactor. Experiments on DIII-D using a quiescent H-mode edge have navigated a valley of improved edge peeling-ballooning stability that opens up with strong plasma shaping at high density, leading to a doubling of the edge pressure over standard edge localized mode (ELM)ing H-mode at these parameters. The thermal energy confinement time increases both as a result of the increased pedestal height and improvements in the core transport and reduced low-k turbulence. Calculations of the pedestal height and width asmore » a function of density using constraints imposed by peeling-ballooning and kinetic-ballooning theory are in quantitative agreement with the measurements.« less

Design of Amorphous Manganese Oxide@Multiwalled Carbon Nanotube Fiber for Robust Solid-State Supercapacitor.

PubMed

Shi, Peipei; Li, Li; Hua, Li; Qian, Qianqian; Wang, Pengfei; Zhou, Jinyuan; Sun, Gengzhi; Huang, Wei

2017-01-24

Solid-state fiber-based supercapacitors have been considered promising energy storage devices for wearable electronics due to their lightweight and amenability to be woven into textiles. Efforts have been made to fabricate a high performance fiber electrode by depositing pseudocapacitive materials on the outer surface of carbonaceous fiber, for example, crystalline manganese oxide/multiwalled carbon nanotubes (MnO 2 /MWCNTs). However, a key challenge remaining is to achieve high specific capacitance and energy density without compromising the high rate capability and cycling stability. In addition, amorphous MnO 2 is actually preferred due to its disordered structure and has been proven to exhibit superior electrochemical performance over the crystalline one. Herein, by incorporating amorphous MnO 2 onto a well-aligned MWCNT sheet followed by twisting, we design an amorphous MnO 2 @MWCNT fiber, in which amorphous MnO 2 nanoparticles are distributed in MWCNT fiber uniformly. The proposed structure gives the amorphous MnO 2 @MWCNT fiber good mechanical reliability, high electrical conductivity, and fast ion-diffusion. Solid-state supercapacitor based on amorphous MnO 2 @MWCNT fibers exhibits improved energy density, superior rate capability, exceptional cycling stability, and excellent flexibility. This study provides a strategy to design a high performance fiber electrode with microstructure control for wearable energy storage devices.

Shock Initiation and Equation of State of Ammonium Nitrate

NASA Astrophysics Data System (ADS)

Robbins, David; Sheffield, Steve; Dattelbaum, Dana; Chellappa, Raja; Velisavljevic, Nenad

2013-06-01

Ammonium nitrate (AN) is a widely used fertilizer and mining explosive commonly found in ammonium nitrate-fuel oil. Neat AN is a non-ideal explosive with measured detonation velocities approaching 4 km/s. Previously, we reported a thermodynamically-complete equation of state for AN based on its maximum density, and showed that near-full density AN did not initiate when subjected to shock input conditions up to 22 GPa. In this work, we extend these initial results, by presenting new Hugoniot data for intermediate density neat AN obtained from gas gun-driven plate impact experiments. AN at densities from 1.8 to 1.5 g/cm3 were impacted into LiF windows using a two-stage light gas gun. Dual VISARs were used to measure the interfacial particle velocity wave profile as a function of time following impact. The new Hugoniot data, in addition to updates to thermodynamic parameters derived from structural analysis and vibrational spectroscopy measurements in high pressure diamond anvil cell experiments, are used to refine the unreacted EOS for AN. Furthermore, shock initiation of neat AN was observed as the initial porosity increased (density decreased). Insights into the relationship(s) between initial density and shock initiation sensitivity are also presented, from evidence of shock initiation in the particle velocity profiles obtained for the lower density AN samples.

Nitric oxide excited under auroral conditions: Excited state densities and band emissions

NASA Astrophysics Data System (ADS)

Cartwright, D. C.; Brunger, M. J.; Campbell, L.; Mojarrabi, B.; Teubner, P. J. O.

2000-09-01

Electron impact excitation of vibrational levels in the ground electronic state and nine excited electronic states in NO has been simulated for an IBC II aurora (i.e., ˜10 kR in 3914 Å radiation) in order to predict NO excited state number densities and band emission intensities. New integral electron impact excitation cross sections for NO were combined with a measured IBC II auroral secondary electron distribution, and the vibrational populations of 10 NO electronic states were determined under conditions of statistical equilibrium. This model predicts an extended vibrational distribution in the NO ground electronic state produced by radiative cascade from the seven higher-lying doublet excited electronic states populated by electron impact. In addition to significant energy storage in vibrational excitation of the ground electronic state, both the a 4Π and L2 Φ excited electronic states are predicted to have relatively high number densities because they are only weakly connected to lower electronic states by radiative decay. Fundamental mode radiative transitions involving the lowest nine excited vibrational levels in the ground electronic state are predicted to produce infrared (IR) radiation from 5.33 to 6.05 μm with greater intensity than any single NO electronic emission band. Fundamental mode radiative transitions within the a 4Π electronic state, in the 10.08-11.37 μm region, are predicted to have IR intensities comparable to individual electronic emission bands in the Heath and ɛ band systems. Results from this model quantitatively predict the vibrational quantum number dependence of the NO IR measurements of Espy et al. [1988].

Electron-impact vibrational relaxation in high-temperature nitrogen

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1992-01-01

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

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2012 CFR

2012-10-01

... that meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population... prioritized beginning with the State with the lowest population density. Population density is determined...

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2013 CFR

2013-10-01

... that meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population... prioritized beginning with the State with the lowest population density. Population density is determined...

42 CFR 505.5 - Loan criteria.

Code of Federal Regulations, 2014 CFR

2014-10-01

... that meet the following criteria: (1) The hospital is located in a State that, based on population density, is defined as a rural State. A rural State is one of ten States with the lowest population... prioritized beginning with the State with the lowest population density. Population density is determined...

Transforming from planar to three-dimensional lithium with flowable interphase for solid lithium metal batteries

PubMed Central

Liu, Yayuan; Lin, Dingchang; Jin, Yang; Liu, Kai; Tao, Xinyong; Zhang, Qiuhong; Zhang, Xiaokun; Cui, Yi

2017-01-01

Solid-state lithium (Li) metal batteries are prominent among next-generation energy storage technologies due to their significantly high energy density and reduced safety risks. Previously, solid electrolytes have been intensively studied and several materials with high ionic conductivity have been identified. However, there are still at least three obstacles before making the Li metal foil-based solid-state systems viable, namely, high interfacial resistance at the Li/electrolyte interface, low areal capacity, and poor power output. The problems are addressed by incorporating a flowable interfacial layer and three-dimensional Li into the system. The flowable interfacial layer can accommodate the interfacial fluctuation and guarantee excellent adhesion at all time, whereas the three-dimensional Li significantly reduces the interfacial fluctuation from the whole electrode level (tens of micrometers) to local scale (submicrometer) and also decreases the effective current density for high-capacity and high-power operations. As a consequence, both symmetric and full-cell configurations can achieve greatly improved electrochemical performances in comparison to the conventional Li foil, which are among the best reported values in the literature. Noticeably, solid-state full cells paired with high–mass loading LiFePO4 exhibited, at 80°C, a satisfactory specific capacity even at a rate of 5 C (110 mA·hour g−1) and a capacity retention of 93.6% after 300 cycles at a current density of 3 mA cm−2 using a composite solid electrolyte middle layer. In addition, when a ceramic electrolyte middle layer was adopted, stable cycling with greatly improved capacity could even be realized at room temperature. PMID:29062894

Transforming from planar to three-dimensional lithium with flowable interphase for solid lithium metal batteries

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

Liu, Yayuan; Lin, Dingchang; Jin, Yang

Solid-state lithium (Li) metal batteries are prominent among next-generation energy storage technologies due to their significantly high energy density and reduced safety risks. Previously, solid electrolytes have been intensively studied and several materials with high ionic conductivity have been identified. However, there are still at least three obstacles before making the Li metal foil-based solid-state systems viable, namely, high interfacial resistance at the Li/electrolyte interface, low areal capacity, and poor power output. The problems are addressed by incorporating a flowable interfacial layer and three-dimensional Li into the system. The flowable interfacial layer can accommodate the interfacial fluctuation and guarantee excellentmore » adhesion at all time, whereas the three-dimensional Li significantly reduces the interfacial fluctuation from the whole electrode level (tens of micrometers) to local scale (submicrometer) and also decreases the effective current density for high-capacity and high-power operations. As a consequence, both symmetric and full-cell configurations can achieve greatly improved electrochemical performances in comparison to the conventional Li foil, which are among the best reported values in the literature. Noticeably, solid-state full cells paired with high–mass loading LiFePO4 exhibited, at 80°C, a satisfactory specific capacity even at a rate of 5 C (110 mA·hour g -1) and a capacity retention of 93.6% after 300 cycles at a current density of 3 mA cm -2 using a composite solid electrolyte middle layer. In addition, when a ceramic electrolyte middle layer was adopted, stable cycling with greatly improved capacity could even be realized at room temperature.« less

Transforming from planar to three-dimensional lithium with flowable interphase for solid lithium metal batteries

DOE PAGES

Liu, Yayuan; Lin, Dingchang; Jin, Yang; ...

2017-10-01

Solid-state lithium (Li) metal batteries are prominent among next-generation energy storage technologies due to their significantly high energy density and reduced safety risks. Previously, solid electrolytes have been intensively studied and several materials with high ionic conductivity have been identified. However, there are still at least three obstacles before making the Li metal foil-based solid-state systems viable, namely, high interfacial resistance at the Li/electrolyte interface, low areal capacity, and poor power output. The problems are addressed by incorporating a flowable interfacial layer and three-dimensional Li into the system. The flowable interfacial layer can accommodate the interfacial fluctuation and guarantee excellentmore » adhesion at all time, whereas the three-dimensional Li significantly reduces the interfacial fluctuation from the whole electrode level (tens of micrometers) to local scale (submicrometer) and also decreases the effective current density for high-capacity and high-power operations. As a consequence, both symmetric and full-cell configurations can achieve greatly improved electrochemical performances in comparison to the conventional Li foil, which are among the best reported values in the literature. Noticeably, solid-state full cells paired with high–mass loading LiFePO4 exhibited, at 80°C, a satisfactory specific capacity even at a rate of 5 C (110 mA·hour g -1) and a capacity retention of 93.6% after 300 cycles at a current density of 3 mA cm -2 using a composite solid electrolyte middle layer. In addition, when a ceramic electrolyte middle layer was adopted, stable cycling with greatly improved capacity could even be realized at room temperature.« less

Parametric dependence of ion temperature and relative density in the NASA Lewis SUMMA facility. [superconducting magnetic mirror

NASA Technical Reports Server (NTRS)

Snyder, A.; Lauver, M. R.; Patch, R. W.

1976-01-01

Further hot-ion plasma experiments were conducted in the SUMMA superconducting magnetic mirror facility. A steady-state ExB plasma was formed by applying a strong radially inward dc electric field between cylindrical anodes and hollow cathodes located near the magnetic mirror maxima. Extending the use of water cooling to the hollow cathodes, in addition to the anodes, resulted in higher maximum power input to the plasma. Steady-state hydrogen plasmas with ion kinetic temperatures as high as 830 eV were produced. Functional relations were obtained empirically among the plasma current, voltage, magnetic flux density, ion temperature, and relative ion density. The functional relations were deduced by use of a multiple correlation analysis. Data were obtained for midplane magnetic fields from 0.5 to 3.37 tesla and input power up to 45 kW. Also, initial absolute electron density measurements are reported from a 90 deg Thomson scattering laser system.

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

NASA Technical Reports Server (NTRS)

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

1984-01-01

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

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

PubMed

Dai, Jiayu; Hou, Yong; Yuan, Jianmin

2010-06-18

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

Phase-measuring laser holographic interferometer for use in high speed flows

NASA Astrophysics Data System (ADS)

Yanta, William J.; Spring, W. Charles, III; Gross, Kimberly Uhrich; McArthur, J. Craig

Phase-measurement techniques have been applied to a dual-plate laser holographic interferometer (LHI). This interferometer has been used to determine the flowfield densities in a variety of two-dimensional and axisymmetric flows. In particular, LHI has been applied in three different experiments: flowfield measurements inside a two-dimensional scramjet inlet, flow over a blunt cone, and flow over an indented nose shape. Comparisons of experimentally determined densities with computational results indicate that, when phase-measurement techniques are used in conjunction with state-of-the-art image-processing instrumentation, holographic interferometry can be a diagnostic tool with high resolution, high accuracy, and rapid data retrieval.

Polymer Nanocomposites As Future Materials For Defense & Energy Applications-High Energy Density Storage Systems With Reduced Size And Weight For Pulse Power Applications

DTIC Science & Technology

2011-11-21

Std Z39-18 Sol-Gel CCTO /P(VDF-HFP) Composites with High Energy Density During the previous reporting period we found that CCTO (CaCu3Ti4O12...composites containing CCTO synthesized by the standard solid-state route. At the optimal 20 vol% CCTO loading, our CCTO -P(VDF-HFP) composite has εr ~82 at...Ceramics such as BaTiO3 or CaCu3Ti4O12 ( CCTO ) have high dielectric permittivities, but they suffer from very low breakdown field strength and thus low

Energy density functional on a microscopic basis

NASA Astrophysics Data System (ADS)

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

2010-06-01

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

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

PubMed

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

2017-12-27

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

Multilevel resistive information storage and retrieval

DOEpatents

Lohn, Andrew; Mickel, Patrick R.

2016-08-09

The present invention relates to resistive random-access memory (RRAM or ReRAM) systems, as well as methods of employing multiple state variables to form degenerate states in such memory systems. The methods herein allow for precise write and read steps to form multiple state variables, and these steps can be performed electrically. Such an approach allows for multilevel, high density memory systems with enhanced information storage capacity and simplified information retrieval.

Ab-intio study of phonon and thermodynamic properties of Znic-blende ZnSe

NASA Astrophysics Data System (ADS)

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

2018-04-01

The Phonon and thermodynamic properties of ZnSe are investigated using density functional perturbation theory (DFPT) and quasi-harmonic approximation (QHA) implemented in Quantum espresso code. The phonon dispersion curve and phonon density of states of ZnSe are obtained. It is shown that high symmetries D→X and D→L directions, there are four branches of dispersion curves which split into six branches along the X→W, W→X and X→D directions. The LO-TO splitting frequencies (in cm-1) at the zone center (D point) are LO=255 and TO=215. The total and partial phonon density of states is used to compute the entropy and specific heat capacity of ZnSe. The computed values are in reasonable agreement with experimental data and other with available theoretical calculations.

Electrochemical characterization of p(+)n and n(+)p diffused InP structures

NASA Technical Reports Server (NTRS)

Wilt, David M.; Faur, Maria; Faur, Mircea; Goradia, M.; Vargas-Aburto, Carlos

1993-01-01

The relatively well documented and widely used electrolytes for characterization and processing of Si and GaAs-related materials and structures by electrochemical methods are of little or no use with InP because the electrolytes presently used either dissolve the surface preferentially at the defect areas or form residual oxides and introduce a large density of surface states. Using an electrolyte which was newly developed for anodic dissolution of InP, and was named the 'FAP' electrolyte, accurate characterization of InP related structures including nature and density of surface states, defect density, and net majority carrier concentration, all as functions of depth was performed. A step-by-step optimization of n(+)p and p(+)n InP structures made by thermal diffusion was done using the electrochemical techniques, and resulted in high performance homojunction InP structures.

Thermodynamic Properties of Dimethyl Carbonatea)

NASA Astrophysics Data System (ADS)

Zhou, Yong; Wu, Jiangtao; Lemmon, Eric W.

2011-12-01

A thermodynamic property formulation for dimethyl carbonate has been developed with the use of available experimental thermodynamic property data. The equation of state was developed with multiproperty fitting methods involving pressure-density-temperature (pρT), heat capacity, vapor pressure, and saturated-liquid density data. The equation of state conforms to the Maxwell criterion for two-phase liquid-vapor equilibrium states, and is valid for temperatures from the triple-point temperature (277.06 ± 0.63) K to 600 K, for pressures up to 60 MPa, and for densities up to 12.12 mol dm-3. The extrapolation behavior of the equation of state at low and high temperatures and pressures is reasonable. The uncertainties (k = 2, indicating a 95% confidence level) of the equation of state in density are 0.05% for saturated-liquid states below 350 K, rising to 0.1% in the single phase between 278 K and 400 K at pressures up to 60 MPa. Due to the lack of reliable data outside this region, the estimated uncertainties increase to 0.5% to 1% in the vapor and critical regions. The uncertainties in vapor pressure are 0.6% from 310 K to 400 K, and increase to 1% at higher temperatures and to 2% at lower temperatures due to a lack of experimental data. The uncertainty in isobaric heat capacity and speed of sound in the liquid phase at saturation or atmospheric pressure is 0.5% from 280 K to 335 K. The uncertainties are higher for all properties in the critical region. Detailed comparisons between experimental and calculated data, and an analysis of the equation, have been performed.

GaN MOSFET with Boron Trichloride-Based Dry Recess Process

NASA Astrophysics Data System (ADS)

Jiang, Y.; Wang, Q. P.; Tamai, K.; Miyashita, T.; Motoyama, S.; Wang, D. J.; Ao, J. P.; Ohno, Y.

2013-06-01

The dry recessed-gate GaN metal-oxide-semiconductor field-effect transistors (MOSFETs) on AlGaN/GaN heterostructure using boron trichloride (BCl3) as etching gas were fabricated and characterized. Etching with different etching power was conducted. Devices with silicon tetrachloride (SiCl4) etching gas were also prepared for comparison. Field-effect mobility and interface state density were extracted from current-voltage (I-V) characteristics. GaN MOSFETs on AlGaN/GaN heterostructure with BCl3 based dry recess achieved a high maximum electron mobility of 141.5 cm2V-1s-1 and a low interface state density.

Understanding mobility degeneration mechanism in organic thin-film transistors (OTFT)

NASA Astrophysics Data System (ADS)

Wang, Wei; Wang, Long; Xu, Guangwei; Gao, Nan; Wang, Lingfei; Ji, Zhuoyu; Lu, Congyan; Lu, Nianduan; Li, Ling; Liu, Miwng

2017-08-01

Mobility degradation at high gate bias is often observed in organic thin film transistors. We propose a mechanism for this confusing phenomenon, based on the percolation theory with the presence of disordered energy landscape with an exponential density of states. Within a simple model we show how the surface states at insulator/organic interface trap a portion of channel carriers, and result in decrease of mobility as well as source/drain current with gate voltage. Depending on the competition between the carrier accumulation and surface trapping effect, two different carrier density dependences of mobility are obtained, in excellent agreement with experiment data.

Symmetry and electronic structure of noble-metal nanoparticles and the role of relativity.

PubMed

Häkkinen, Hannu; Moseler, Michael; Kostko, Oleg; Morgner, Nina; Hoffmann, Margarita Astruc; von Issendorff, Bernd

2004-08-27

We present high resolution UV-photoelectron spectra of cold mass selected Cun-, Agn-, and Aun- with n=53-58. The observed electron density of states is not the expected simple electron shell structure, but is strongly influenced by electron-lattice interactions. Only Cu55- and Ag55- exhibit highly degenerate states. This is a direct consequence of their icosahedral symmetry, as is confirmed by density functional theory calculations. Neighboring sizes exhibit perturbed electronic structures, as they are formed by removal or addition of atoms to the icosahedron and therefore have lower symmetries. Gold clusters in the same size range show completely different spectra with almost no degeneracy, which indicates that they have structures of much lower symmetry. This behavior is related to strong relativistic bonding effects in gold, as demonstrated by ab initio calculations for Au55-.

Rare earth chalcogenide Ce3Te4 as high efficiency high temperature thermoelectric material

NASA Astrophysics Data System (ADS)

Wang, Xiaochun; Yang, Ronggui; Zhang, Yong; Zhang, Peihong; Xue, Yu

2011-05-01

The electronic band structures of Ce3Te4 have been studied using the first-principles density-functional theory calculations. It is found that the density of states of Ce3Te4 has a very high delta-shaped peak appearing 0.21 eV above the Fermi level, which mainly comes from the f orbital electrons of the rare-earth element Ce. Using the simple theory proposed by Mahan and Sofo, [Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)], we obtain an ideal value of zT=13.5 for Ce3Te4 at T=1200 K, suggesting that the rare-earth chalcogenide Ce3Te4 could be a promising high efficiency high temperature thermoelectric material.

Generation of neutral and high-density electron–positron pair plasmas in the laboratory

PubMed Central

Sarri, G.; Poder, K.; Cole, J. M.; Schumaker, W.; Di Piazza, A.; Reville, B.; Dzelzainis, T.; Doria, D.; Gizzi, L. A.; Grittani, G.; Kar, S.; Keitel, C. H.; Krushelnick, K.; Kuschel, S.; Mangles, S. P. D.; Najmudin, Z.; Shukla, N.; Silva, L. O.; Symes, D.; Thomas, A. G. R.; Vargas, M.; Vieira, J.; Zepf, M.

2015-01-01

Electron–positron pair plasmas represent a unique state of matter, whereby there exists an intrinsic and complete symmetry between negatively charged (matter) and positively charged (antimatter) particles. These plasmas play a fundamental role in the dynamics of ultra-massive astrophysical objects and are believed to be associated with the emission of ultra-bright gamma-ray bursts. Despite extensive theoretical modelling, our knowledge of this state of matter is still speculative, owing to the extreme difficulty in recreating neutral matter–antimatter plasmas in the laboratory. Here we show that, by using a compact laser-driven setup, ion-free electron–positron plasmas with unique characteristics can be produced. Their charge neutrality (same amount of matter and antimatter), high-density and small divergence finally open up the possibility of studying electron–positron plasmas in controlled laboratory experiments. PMID:25903920

Comparative studies of '1212' superconductors

NASA Astrophysics Data System (ADS)

Gapud, Albert Agcaoili

Several properties of highly isomorphic species of HgBa2CaCu 2O6+delta (Hg-1212) and TlBa2CaCu2O 7-delta (Tl-1212) were compared. The samples used were high-quality, c-oriented thin films with epitaxial growth. In particular, the Hg-1212 films were made from either Tl-2212 or Tl-1212 films using a novel method in which the Tl cations were surgically replaced by Hg cations, during which the 1212 structure was retained. Properties studied were: the irreversibility line, critical current density, the magnetic phase diagram, the normal-state Hall effect, and the mixed-state Hall effect. There are several indications that the most significant difference between the 1212 species is mostly in their superconducting charge carrier density. However, the subtle differences in their electronic band structure may have also been discerned.

Generation of neutral and high-density electron-positron pair plasmas in the laboratory.

PubMed

Sarri, G; Poder, K; Cole, J M; Schumaker, W; Di Piazza, A; Reville, B; Dzelzainis, T; Doria, D; Gizzi, L A; Grittani, G; Kar, S; Keitel, C H; Krushelnick, K; Kuschel, S; Mangles, S P D; Najmudin, Z; Shukla, N; Silva, L O; Symes, D; Thomas, A G R; Vargas, M; Vieira, J; Zepf, M

2015-04-23

Electron-positron pair plasmas represent a unique state of matter, whereby there exists an intrinsic and complete symmetry between negatively charged (matter) and positively charged (antimatter) particles. These plasmas play a fundamental role in the dynamics of ultra-massive astrophysical objects and are believed to be associated with the emission of ultra-bright gamma-ray bursts. Despite extensive theoretical modelling, our knowledge of this state of matter is still speculative, owing to the extreme difficulty in recreating neutral matter-antimatter plasmas in the laboratory. Here we show that, by using a compact laser-driven setup, ion-free electron-positron plasmas with unique characteristics can be produced. Their charge neutrality (same amount of matter and antimatter), high-density and small divergence finally open up the possibility of studying electron-positron plasmas in controlled laboratory experiments.

Application of a high-density gas laser target to the physics of x-ray lasers and coronal plasmas

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

Pronko, J.G.; Kohler, D.

1996-05-31

An experiment has been proposed to investigate a photopumped x-ray laser approach using a novel, high-density, laser heated supersonic gas jet plasma to prepare the lasant plasma. The scheme uses the He- like sodium 1.10027 nm line to pump the He-like neon 1s-4p transition at 1.10003 nm with the lasing transitions between the n=4 to n=2,3 states and the n=3 to n=2 state at 5.8 nm, 23.0 nm, and 8.2 nm, respectively. The experiment had been proposed in 1990 and funding began Jan. 1991; however circumstances made it impossible to pursue the research over the past 5 years, and itmore » was decided not to pursue the research any further.« less

Toward practical all-solid-state lithium-ion batteries with high energy density and safety: Comparative study for electrodes fabricated by dry- and slurry-mixing processes

NASA Astrophysics Data System (ADS)

Nam, Young Jin; Oh, Dae Yang; Jung, Sung Hoo; Jung, Yoon Seok

2018-01-01

Owing to their potential for greater safety, higher energy density, and scalable fabrication, bulk-type all-solid-state lithium-ion batteries (ASLBs) employing deformable sulfide superionic conductors are considered highly promising for applications in battery electric vehicles. While fabrication of sheet-type electrodes is imperative from the practical point of view, reports on relevant research are scarce. This might be attributable to issues that complicate the slurry-based fabrication process and/or issues with ionic contacts and percolation. In this work, we systematically investigate the electrochemical performance of conventional dry-mixed electrodes and wet-slurry fabricated electrodes for ASLBs, by varying the different fractions of solid electrolytes and the mass loading. This information calls for a need to develop well-designed electrodes with better ionic contacts and to improve the ionic conductivity of solid electrolytes. As a scalable proof-of-concept to achieve better ionic contacts, a premixing process for active materials and solid electrolytes is demonstrated to significantly improve electrochemical performance. Pouch-type 80 × 60 mm2 all-solid-state LiNi0·6Co0·2Mn0·2O2/graphite full-cells fabricated by the slurry process show high cell-based energy density (184 W h kg-1 and 432 W h L-1). For the first time, their excellent safety is also demonstrated by simple tests (cutting with scissors and heating at 110 °C).

Higher USA State Resident Neuroticism Is Associated With Lower State Volunteering Rates.

PubMed

McCann, Stewart J H

2017-12-01

Highly neurotic persons have dispositional characteristics that tend to precipitate social anxiety that discourages formal volunteering. With the 50 American states as analytical units, Study 1 found that state resident neuroticism correlated highly ( r = -.55) with state volunteering rates and accounted for another 26.8% of the volunteering rate variance with selected state demographics controlled. Study 2 replicated Study 1 during another period and extended the association to college student, senior, secular, and religious volunteering rates. Study 3 showed state resident percentages engaged in other social behaviors involving more familiarity and fewer demands than formal volunteering related to state volunteering rates but not to neuroticism. In Study 4, state resident neuroticism largely accounted statistically for relations between state volunteering rates and state population density, collectivism, social capital, Republican preference, and well-being. This research is the first to show that state resident neuroticism is a potent predictor of state volunteering rates.

Flexible Fe2O3 and V2O5 nanofibers as binder-free electrodes for high-performance all-solid-state asymmetric supercapacitors.

PubMed

Jiang, He; Niu, Hao; Yang, Xue; Sun, Zhiqin; Li, Fuzhi; Wang, Qian; Qu, Fengyu

2018-04-16

Flexible highly porous Fe2O3 and V2O5 nanofibers are synthesized by a facile electrospinning method followed by calcination treatment and directly used as binder-free electrodes for high-performance supercapacitors. These Fe2O3 and V2O5 nanofibers interconnect with each other and construct three-dimensional hierarchical porous films with high specific surface area. Benefiting from the unique structural features, the intriguing binder-free Fe2O3 and V2O5 porous nanofiber electrodes possess high specific capacitance of 255 F g-1 and 256 F g-1 at 2 mV s-1 in 1 M Na2SO4 electrolyte, respectively. An all-solid-state asymmetric supercapacitor is fabricated using Fe2O3 and V2O5 nanofibers as negative and positive electrodes, respectively, and the all-solid-state asymmetric supercapacitor can be operated up to 1.8 V attributed to the wide and opposite potential window of both electrodes. The assembled all-solid-state asymmetric supercapacitor achieves a high energy density up to 32.2 Wh kg-1 at an average power density of 128.7 W kg-1 as well as excellent cycling stability and power capability. The effective and facile synthesis method and superior electrochemical performance provided in this work make electrospun Fe2O3 and V2O5 nanofibers promising electrode materials for high performance asymmetric supercapacitors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design, construction and long life endurance testing of cathode assemblies for use in microwave high-power transmitting tubes

NASA Technical Reports Server (NTRS)

Gorshe, R.

1982-01-01

The ability of state of the art cathode types to produce current densities of 2A/sq cm, respectively, over a minimum designed life of 30,000 hours of continuous operation without failures was demonstrated. The performance of the state of the art cathode types was evaluated by endurance testing while operating under identical electrical geometrical, and vacuum conditions that realistically duplicate the operating conditions present in a transmitter tube. Although there has been considerable life testing done on high current density types of cathodes, these have beem primarily limited to diodes. A diode and high power microwave tube are grossly different devices. A comparison of these two devices is provided. A diode and high power microwave tube are quite different; one could therefore assume different internal environments, especially in the cathode region. Therefore, in order to establish life capabilities of the cathodes just mentioned, they should be tested in a vehicle which has an internal environment similar to that of a high power microwave tube.

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.

Habitat use of woodpeckers in the Big Woods of eastern Arkansas

USGS Publications Warehouse

Krementz, David G.; Lehnen, Sarah E.; Luscier, J.D.

2012-01-01

The Big Woods of eastern Arkansas contain some of the highest densities of woodpeckers recorded within bottomland hardwood forests of the southeastern United States. A better understanding of habitat use patterns by these woodpeckers is a priority for conservationists seeking to maintain these high densities in the Big Woods and the Lower Mississippi Alluvial Valley as a whole. Hence, we used linear mixed-effects and linear models to estimate the importance of habitat characteristics to woodpecker density in the Big Woods during the breeding seasons of 2006 and 2007 and the winter of 2007. Northern flicker Colaptes auratus density was negatively related to tree density both for moderate (. 25 cm diameter at breast height) and larger trees (>61 cm diameter at breast height). Red-headed woodpeckers Melanerpes erythrocephalus also had a negative relationship with density of large (. 61 cm diameter at breast height) trees. Bark disfiguration (an index of tree health) was negatively related to red-bellied woodpecker Melanerpes carolinus and yellow-bellied sapsucker Sphyrapicus varius densities. No measured habitat variables explained pileated woodpecker Dryocopus pileatus density. Overall, the high densities of woodpeckers observed in our study suggest that the current forest management of the Big Woods of Arkansas is meeting the nesting, roosting, and foraging requirements for these birds.

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.

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

PubMed

Orms, Natalie; Rehn, Dirk R; Dreuw, Andreas; Krylov, Anna I

2018-02-13

Density-based wave function analysis enables unambiguous comparisons of the electronic structure computed by different methods and removes ambiguity of orbital choices. We use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high- and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such as polyradicals. We show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of the bonding pattern.

Filamentation effect in a gas attenuator for high-repetition-rate X-ray FELs.

PubMed

Feng, Yiping; Krzywinski, Jacek; Schafer, Donald W; Ortiz, Eliazar; Rowen, Michael; Raubenheimer, Tor O

2016-01-01

A sustained filamentation or density depression phenomenon in an argon gas attenuator servicing a high-repetition femtosecond X-ray free-electron laser has been studied using a finite-difference method applied to the thermal diffusion equation for an ideal gas. A steady-state solution was obtained by assuming continuous-wave input of an equivalent time-averaged beam power and that the pressure of the entire gas volume has reached equilibrium. Both radial and axial temperature/density gradients were found and describable as filamentation or density depression previously reported for a femtosecond optical laser of similar attributes. The effect exhibits complex dependence on the input power, the desired attenuation, and the geometries of the beam and the attenuator. Time-dependent simulations were carried out to further elucidate the evolution of the temperature/density gradients in between pulses, from which the actual attenuation received by any given pulse can be properly calculated.

Electron-driven excitation of O 2 under night-time auroral conditions: Excited state densities and band emissions

NASA Astrophysics Data System (ADS)

Jones, D. B.; Campbell, L.; Bottema, M. J.; Teubner, P. J. O.; Cartwright, D. C.; Newell, W. R.; Brunger, M. J.

2006-01-01

Electron impact excitation of vibrational levels in the ground electronic state and seven excited electronic states in O 2 have been simulated for an International Brightness Coefficient-Category 2+ (IBC II+) night-time aurora, in order to predict O 2 excited state number densities and volume emission rates (VERs). These number densities and VERs are determined as a function of altitude (in the range 80-350 km) in the present study. Recent electron impact excitation cross-sections for O 2 were combined with appropriate altitude dependent IBC II+ auroral secondary electron distributions and the vibrational populations of the eight O 2 electronic states were determined under conditions of statistical equilibrium. Pre-dissociation, atmospheric chemistry involving atomic and molecular oxygen, radiative decay and quenching of excited states were included in this study. This model predicts relatively high number densities for the X3Σg-(v'⩽4),a1Δandb1Σg+ metastable electronic states and could represent a significant source of stored energy in O 2* for subsequent thermospheric chemical reactions. Particular attention is directed towards the emission intensities of the infrared (IR) atmospheric (1.27 μm), Atmospheric (0.76 μm) and the atomic oxygen 1S→ 1D transition (5577 Å) lines and the role of electron-driven processes in their origin. Aircraft, rocket and satellite observations have shown both the IR atmospheric and Atmospheric lines are dramatically enhanced under auroral conditions and, where possible, we compare our results to these measurements. Our calculated 5577 Å intensity is found to be in good agreement with values independently measured for a medium strength IBC II+ aurora.

Establishment, dispersal, and competitive impacts of a third fire ant decapitating fly (Pseudacteon obtusus) in North Central Florida

USDA-ARS?s Scientific Manuscript database

Self-sustaining classical biological control agents offer a hope for permanent wide-area control of imported Solenopsis fire ants in the United States because escape from abundant natural enemies left behind in Argentina is a likely reason for unusually high fire ant densities in the United States. ...

Dissociable Top-Down Anticipatory Neural States for Different Linguistic Dimensions

ERIC Educational Resources Information Center

Ruz, Maria; Nobre, Anna C.

2008-01-01

When preparing to perform a task, the brain settles into task-set states which are relevant for the selection of the appropriate task-rules and stimulus-response mappings. The way this selection takes place within the Language domain is not well understood. We used high-density electrophysiological recordings while participants were engaged in a…

LABORATORY EXERCISES IN OCEANOGRAPHY FOR HIGH SCHOOLS.

ERIC Educational Resources Information Center

National Science Foundation, Washington, DC.

DESCRIBED ARE LABORATORY EXERCISES IN OCEANOGRAPHY DEVELOPED FOR USE IN HIGH SCHOOLS BY THE SECONDARY SCHOOL TEACHERS IN THE 1967 NATIONAL SCIENCE FOUNDATION (NSF) SUMMER INSTITUTE IN OCEANOGRAPHY AT FLORIDA STATE UNIVERSITY. INCLUDED ARE SUCH ACTIVITIES AS (1) THE MEASUREMENT OF TEMPERATURE, WATER VAPOR, PRESSURE, SALINITY, DENSITY, AND OTHERS,…

Review of High Power Density Superconducting Generators: Present State and Prospects for Incorporating YBCO Windings

DTIC Science & Technology

2005-01-01

Development of a 100 MVA high temperature super- conducting generator. In: IEEE power engineering society meeting 2004, Denver, CL. [38] Schiferl R...Development of ultra efficient electrical motor systems. In: DOE Annual Superconductivity Peer Review Meeting 2004, Wash- ington, DC; Schiferl R, Rockwell

Digital forestry in the wildland urban interface

Treesearch

Michael C. Wimberly; Yangjian Zhang; John A. Stanturf

2006-01-01

Growing human populations have led to the expansion of the Wildland-Urban interface (WUI) across the southeastern United States. The juxtaposition of buildings, infrastructure, and forests in the WUI creates challenges for natural resource managers. The presence of flammable vegetation, high rates of human-caused ignitions and high building densities combine to...

Digital forestry in the wildland-urban interface

Treesearch

Michael C. Wimberly; Yangjian Zhang; John A. Stanturf

2006-01-01

Growing human populations have led to the expansion of the Wildland-Urban Interface (WUI) across the southeastern United States. The juxtaposition of buildings, infrastructure. and forests in the WUI creates challenges for natural resource managers. The presence of flammable vegetation. high rates of human-caused ignitions and high building densities combine to...

A Lithium/Polysulfide Battery with Dual-Working Mode Enabled by Liquid Fuel and Acrylate-Based Gel Polymer Electrolyte.

PubMed

Liu, Ming; Ren, Yuxun; Zhou, Dong; Jiang, Haoran; Kang, Feiyu; Zhao, Tianshou

2017-01-25

The low density associated with low sulfur areal loading in the solid-state sulfur cathode of current Li-S batteries is an issue hindering the development of this type of battery. Polysulfide catholyte as a recyclable liquid fuel was proven to enhance both the energy density and power density of the battery. However, a critical barrier with this lithium (Li)/polysulfide battery is that the shuttle effect, which is the crossover of polysulfides and side deposition on the Li anode, becomes much more severe than that in conventional Li-S batteries with a solid-state sulfur cathode. In this work, we successfully applied an acrylate-based gel polymer electrolyte (GPE) to the Li/polysulfide system. The GPE layer can effectively block the detrimental diffusion of polysulfides and protect the Li metal from the side passivation reaction. Cathode-static batteries utilizing 2 M catholyte (areal sulfur loading of 6.4 mg cm -2 ) present superior cycling stability (727.4 mAh g -1 after 500 cycles at 0.2 C) and high rate capability (814 mAh g -1 at 2 C) and power density (∼10 mW cm -2 ), which also possess replaceable and encapsulated merits for mobile devices. In the cathode-flow mode, the Li/polysulfide system with catholyte supplied from an external tank demonstrates further improved power density (∼69 mW cm -2 ) and stable cycling performance. This novel and simple Li/polysulfide system represents a significant advancement of high energy density sulfur-based batteries for future power sources.

Neuroanatomical Predictors of Functional Outcome in Individuals at Ultra-High Risk for Psychosis

PubMed Central

Lin, Ashleigh; Yung, Alison R.; Koutsouleris, Nikolaos; Nelson, Barnaby; Cropley, Vanessa L.; Velakoulis, Dennis; McGorry, Patrick D.; Pantelis, Christos; Wood, Stephen J.

2017-01-01

Abstract Most individuals at ultra-high risk (UHR) for psychosis do not transition to frank illness. Nevertheless, many have poor clinical outcomes and impaired psychosocial functioning. This study used voxel-based morphometry to investigate if baseline grey and white matter brain densities at identification as UHR were associated with functional outcome at medium- to long-term follow-up. Participants were help-seeking UHR individuals (n = 109, 54M:55F) who underwent magnetic resonance imaging at baseline; functional outcome was assessed an average of 9.2 years later. Primary analysis showed that lower baseline grey matter density, but not white matter density, in bilateral frontal and limbic areas, and left cerebellar declive were associated with poorer functional outcome (Social and Occupational Functioning Assessment Scale [SOFAS]). These findings were independent of transition to psychosis or persistence of the at-risk mental state. Similar regions were significantly associated with lower self-reported levels of social functioning and increased negative symptoms at follow-up. Exploratory analyses showed that lower baseline grey matter densities in middle and inferior frontal gyri were significantly associated with decline in Global Assessment of Functioning (GAF) score over follow-up. There was no association between baseline grey matter density and IQ or positive symptoms at follow-up. The current findings provide novel evidence that those with the poorest functional outcomes have the lowest grey matter densities at identification as UHR, regardless of transition status or persistence of the at-risk mental state. Replication and validation of these findings may allow for early identification of poor functional outcome and targeted interventions. PMID:27369472

Extraction of carrier mobility and interface trap density in InGaAs metal oxide semiconductor structures using gated Hall method

NASA Astrophysics Data System (ADS)

Chidambaram, Thenappan

III-V semiconductors are potential candidates to replace Si as a channel material in next generation CMOS integrated circuits owing to their superior carrier mobilities. Low density of states (DOS) and typically high interface and border trap densities (Dit) in high mobility group III-V semiconductors provide difficulties in quantification of Dit near the conduction band edge. The trap response above the threshold voltage of a MOSFET can be very fast, and conventional Dit extraction methods, based on capacitance/conductance response (CV methods) of MOS capacitors at frequencies <1MHz, cannot distinguish conducting and trapped carriers. In addition, the CV methods have to deal with high dispersion in the accumulation region that makes it a difficult task to measure the true oxide capacitance, Cox value. Another implication of these properties of III-V interfaces is an ambiguity of determination of electron density in the MOSFET channel. Traditional evaluation of carrier density by integration of the C-V curve, gives incorrect values for D it and mobility. Here we employ gated Hall method to quantify the D it spectrum at the high-K oxide/III-V semiconductor interface for buried and surface channel devices using Hall measurement and capacitance-voltage data. Determination of electron density directly from Hall measurements allows for obtaining true mobility values.

Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs

PubMed Central

Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

2015-01-01

High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This “compliant” buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 105 cm−2. In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6” wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors. PMID:26329829

Simple fundamental equation of state for liquid, gas, and fluid of argon, nitrogen, and carbon dioxide

NASA Astrophysics Data System (ADS)

Kaplun, A. B.; Meshalkin, A. B.

2017-07-01

A new fundamental low-parametric equation of state in the form of reduced Helmholtz function for describing thermodynamic properties of normal substances was obtained using the methods and approaches developed earlier by the authors. It allows us to describe the thermal properties of gas, liquid, and fluid in the range from the density in ideal-gas state to the density at a triple point (except the critical region) with sufficiently high accuracy close to the accuracy of experiment. The caloric properties and sound velocity of argon, nitrogen, and carbon dioxide are calculated without involving any caloric data, except the ideal gas enthalpy. The obtained values of isochoric heat capacity, sound velocity, and other thermodynamic properties are in good agreement with experimental (reliable tabular) data.

Test of the Brink-Axel Hypothesis for the Pygmy Dipole Resonance

NASA Astrophysics Data System (ADS)

Martin, D.; von Neumann-Cosel, P.; Tamii, A.; Aoi, N.; Bassauer, S.; Bertulani, C. A.; Carter, J.; Donaldson, L.; Fujita, H.; Fujita, Y.; Hashimoto, T.; Hatanaka, K.; Ito, T.; Krugmann, A.; Liu, B.; Maeda, Y.; Miki, K.; Neveling, R.; Pietralla, N.; Poltoratska, I.; Ponomarev, V. Yu.; Richter, A.; Shima, T.; Yamamoto, T.; Zweidinger, M.

2017-11-01

The gamma strength function and level density of 1- states in 96Mo have been extracted from a high-resolution study of the (p → , p→ ' ) reaction at 295 MeV and extreme forward angles. By comparison with compound nucleus γ decay experiments, this allows a test of the generalized Brink-Axel hypothesis in the energy region of the pygmy dipole resonance. The Brink-Axel hypothesis is commonly assumed in astrophysical reaction network calculations and states that the gamma strength function in nuclei is independent of the structure of the initial and final state. The present results validate the Brink-Axel hypothesis for 96Mo and provide independent confirmation of the methods used to separate gamma strength function and level density in γ decay experiments.

Surface structure of neutron stars with high magnetic fields

NASA Technical Reports Server (NTRS)

Fushiki, I.; Gudmundsson, E. H.; Pethick, C. J.

1989-01-01

The equation of state of cold dense matter in strong magnetic fields is calculated in the Thomas-Fermi and Thomas-Fermi-Dirac approximations. For use in the latter calculation, a new expression is derived for the exchange energy of the uniform electron gas in a strong magnetic field. Detailed calculations of the density profile in the surface region of a neutron star are described for a variety of equations of state, and these show that the surface density profile is strongly affected by the magnetic field, irrespective of whether or not matter in a magnetic field has a condensed state bound with respect to isolated atoms. It is also shown that, as a consequence of the field dependence of the screening potential, magnetic fields can significantly increase nuclear reaction rates.

Pharmacy density in rural and urban communities in the state of Oregon and the association with hospital readmission rates.

PubMed

Bissonnette, Sarah; Goeres, Leah M; Lee, David S H

2016-01-01

To characterize the pharmacy density in rural and urban communities with hospitals and to examine its association with readmission rates. Ecologic study. Forty-eight rural and urban primary care service areas (PCSAs) in the state of Oregon. All hospitals in the state of Oregon. Pharmacy data were obtained from the Oregon Board of Pharmacy based on active licensure. Pharmacy density was calculated by determining the cumulative number of outpatient pharmacy hours in a PCSA. Oregon hospital 30-day all-cause readmission rates were obtained from the Centers for Medicare and Medicaid Services and were determined with the use of claims data of patients 65 years of age or older who were readmitted to the hospital within 30 days from July 2012 to June 2013. Readmission rates for Oregon hospitals ranged from 13.5% to 16.5%. The cumulative number of pharmacy hours in PCSAs containing a hospital ranged from 54 to 3821 hours. As pharmacy density increased, the readmission rates decreased, asymptotically approaching a predicted 14.7% readmission rate for areas with high pharmacy density. Urban hospitals were in communities likely to have more pharmacy access compared with rural hospitals. Future research should determine if increasing pharmacy access affects readmission rates, especially in rural communities. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

High charge state carbon and oxygen ions in Earth's equatorial quasi-trapping region

NASA Technical Reports Server (NTRS)

Christon, S. P.; Hamilton, D. C.; Gloeckler, G.; Eastmann, T. E.

1994-01-01

Observations of energetic (1.5 - 300 keV/e) medium-to-high charge state (+3 less than or equal to Q less than or equal to +7) solar wind origin C and O ions made in the quasi-trapping region (QTR) of Earth's magnetosphere are compared to ion trajectories calculated in model equatorial magnetospheric magnetic and electric fields. These comparisons indicate that solar wind ions entering the QTR on the nightside as an energetic component of the plasma sheet exit the region on the dayside, experiencing little or no charge exchange on the way. Measurements made by the CHarge Energy Mass (CHEM) ion spectrometer on board the Active Magnetospheric Particle Tracer Explorer/Charge Composition Explorer (AMPTE/CCE) spacecraft at 7 less than L less than 9 from September 1984 to January 1989 are the source of the new results contained herein: quantitative long-term determination of number densities, average energies, energy spectra, local time distributions, and their variation with geomagnetic disturbance level as indexed by Kp. Solar wind primaries (ions with charge states unchanged) and their secondaries (ions with generally lower charge states produced from primaries in the magnetosphere via charge exchange)are observed throughout the QTR and have distinctly different local time variations that persist over the entire 4-year analysis interval. During Kp larger than or equal to 3 deg intervals, primary ion (e.g., O(+6)) densities exhibit a pronounced predawn maximum with average energy minimum and a broad near-local-noon density minimum with average energy maximum. Secondary ion (e.g., O(+5)) densities do not have an identifiable predawn peak, rather they have a broad dayside maximum peaked in local morning and a nightside minimum. During Kp less than or equal to 2(-) intervals, primary ion density peaks are less intense, broader in local time extent, and centered near midnight, while secondary ion density local time variations diminish. The long-time-interval baseline helps to refine and extend previous observations; for example, we show that ionospheric contribution to O(+3)) is negligible. Through comparison with model ion trajectories, we interpret the lack of pronounced secondary ion density peaks colocated with the primary density peaks to indicate that: (1) negligible charge exchange occurs at L greater than 7, that is, solar wind secondaries are produced at L less than 7, and (2) solar wind secondaries do not form a significant portion of the plasma sheet population injected into the QTR. We conclude that little of the energetic solar wind secondary ion population is recirculated through the magnetosphere.

Effect of wetting-layer density of states on the gain and phase recovery dynamics of quantum-dot semiconductor optical amplifiers

NASA Astrophysics Data System (ADS)

Kim, Jungho; Yu, Bong-Ahn

2015-03-01

We numerically investigate the effect of the wetting-layer (WL) density of states on the gain and phase recovery dynamics of quantum-dot semiconductor optical amplifiers in both electrical and optical pumping schemes by solving 1088 coupled rate equations. The temporal variations of the ultrafast gain and phase recovery responses at the ground state (GS) are calculated as a function of the WL density of states. The ultrafast gain recovery responses do not significantly depend on the WL density of states in the electrical pumping scheme and the three optical pumping schemes such as the optical pumping to the WL, the optical pumping to the excited state ensemble, and the optical pumping to the GS ensemble. The ultrafast phase recovery responses are also not significantly affected by the WL density of states except the optical pumping to the WL, where the phase recovery component caused by the WL becomes slowed down as the WL density of states increases.

The many facets of the (non-relativistic) Nuclear Equation of State

NASA Astrophysics Data System (ADS)

Giuliani, G.; Zheng, H.; Bonasera, A.

2014-05-01

A nucleus is a quantum many body system made of strongly interacting Fermions, protons and neutrons (nucleons). This produces a rich Nuclear Equation of State whose knowledge is crucial to our understanding of the composition and evolution of celestial objects. The nuclear equation of state displays many different features; first neutrons and protons might be treated as identical particles or nucleons, but when the differences between protons and neutrons are spelled out, we can have completely different scenarios, just by changing slightly their interactions. At zero temperature and for neutron rich matter, a quantum liquid-gas phase transition at low densities or a quark-gluon plasma at high densities might occur. Furthermore, the large binding energy of the α particle, a Boson, might also open the possibility of studying a system made of a mixture of Bosons and Fermions, which adds to the open problems of the nuclear equation of state.

Nonsingular cosmology from evolutionary quantum gravity

NASA Astrophysics Data System (ADS)

Cianfrani, Francesco; Montani, Giovanni; Pittorino, Fabrizio

2014-11-01

We provide a cosmological implementation of the evolutionary quantum gravity, describing an isotropic Universe, in the presence of a negative cosmological constant and a massive (preinflationary) scalar field. We demonstrate that the considered Universe has a nonsingular quantum behavior, associated to a primordial bounce, whose ground state has a high occupation number. Furthermore, in such a vacuum state, the super-Hamiltonian eigenvalue is negative, corresponding to a positive emerging dust energy density. The regularization of the model is performed via a polymer quantum approach to the Universe scale factor and the proper classical limit is then recovered, in agreement with a preinflationary state of the Universe. Since the dust energy density is redshifted by the Universe de Sitter phase and the cosmological constant does not enter the ground state eigenvalue, we get a late-time cosmology, compatible with the present observations, endowed with a turning point in the far future.

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

NASA Astrophysics Data System (ADS)

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

2010-12-01

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

Quantum Entanglement and Reduced Density Matrices

NASA Astrophysics Data System (ADS)

Purwanto, Agus; Sukamto, Heru; Yuwana, Lila

2018-05-01

We investigate entanglement and separability criteria of multipartite (n-partite) state by examining ranks of its reduced density matrices. Firstly, we construct the general formula to determine the criterion. A rank of origin density matrix always equals one, meanwhile ranks of reduced matrices have various ranks. Next, separability and entanglement criterion of multipartite is determined by calculating ranks of reduced density matrices. In this article we diversify multipartite state criteria into completely entangled state, completely separable state, and compound state, i.e. sub-entangled state and sub-entangledseparable state. Furthermore, we also shorten the calculation proposed by the previous research to determine separability of multipartite state and expand the methods to be able to differ multipartite state based on criteria above.

Densely-packed graphene/conducting polymer nanoparticle papers for high-volumetric-performance flexible all-solid-state supercapacitors

NASA Astrophysics Data System (ADS)

Yang, Chao; Zhang, Liling; Hu, Nantao; Yang, Zhi; Wei, Hao; Xu, Zhichuan J.; Wang, Yanyan; Zhang, Yafei

2016-08-01

Graphene-based all-solid-state supercapacitors (ASSSCs) are one of the most ideal candidates for high-performance flexible power sources. The achievement of high volumetric energy density is highly desired for practical application of this type of ASSSCs. Here, we present a facile method to boost volumetric performances of graphene-based flexible ASSSCs through incorporation of ultrafine polyaniline-poly(4-styrenesulfonate) (PANI-PSS) nanoparticles in reduced graphene oxide (rGO) papers. A compact structure is obtained via intimate contact and π-π interaction between PANI-PSS nanoparticles and rGO sheets. The hybrid paper electrode with the film thickness of 13.5 μm, shows an extremely high volumetric specific capacitance of 272 F/cm3 (0.37 A/cm3 in a three-electrode cell). The assembled ASSSCs show a large volumetric specific capacitance of 217 F/cm3 (0.37 A/cm3 in a two-electrode cell), high volumetric energy and power density, excellent capacitance stability, small leakage current as well as low self-discharge characteristics, revealing the usefulness of this robust hybrid paper for high-performance flexible energy storage devices.