Characterization system for research on energy storage capacitors.

PubMed

Noriega, J R; Iyore, O D; Budime, C; Gnade, B; Vasselli, J

2013-05-01

In this work a characterization system for high energy-density capacitors is described and demonstrated. Capacitors are being designed using thin-film technology in an attempt to achieve higher energy-density levels by operating the devices at a high voltage. These devices are fabricated from layers of 100 nm aluminum and a layer of polyvinylidene fluoride-hexafluoropropylene on a polyethylene naphthalate plastic substrate. The devices have been designed to store electrical charge at up to 200 V. Characterizations of these devices focus on the measurement of capacitance vs bias voltage and temperature, equivalent series resistance, and charge/discharge cycles. For the purpose of the characterization of these capacitors, an electronic charge/discharge interface was designed and tested.

Operation mode switchable charge-trap memory based on few-layer MoS2

NASA Astrophysics Data System (ADS)

Hou, Xiang; Yan, Xiao; Liu, Chunsen; Ding, Shijin; Zhang, David Wei; Zhou, Peng

2018-03-01

Ultrathin layered two-dimensional (2D) semiconductors like MoS2 and WSe2 have received a lot of attention because of their excellent electrical properties and potential applications in electronic devices. We demonstrate a charge-trap memory with two different tunable operation modes based on a few-layer MoS2 channel and an Al2O3/HfO2/Al2O3 charge storage stack. Our device shows excellent memory properties under the traditional three-terminal operation mode. More importantly, unlike conventional charge-trap devices, this device can also realize the memory performance with just two terminals (drain and source) because of the unique atomic crystal electrical characteristics. Under the two-terminal operation mode, the erase/program current ratio can reach up to 104 with a stable retention property. Our study indicates that the conventional charge-trap memory cell can also realize the memory performance without the gate terminal based on novel two dimensional materials, which is meaningful for low power consumption and high integration density applications.

Active Control of Charge Density Waves at Degenerate Semiconductor Interfaces

NASA Astrophysics Data System (ADS)

Vinnakota, Raj; Genov, Dentcho

We present numerical modeling of an active electronically controlled highly confined charge-density waves, i.e. surface plasmon polaritons (SPPs) at the metallurgic interfaces of degenerate semiconductor materials. An electro-optic switching element for fully-functional plasmonic circuits based on p-n junction semiconductor Surface Plasmon Polariton (SPP) waveguide is shown. Two figures of merits are introduced and parametric study has been performed identifying the device optimal operation range. The Indium Gallium Arsenide (In0.53Ga0.47As) is identified as the best semiconductor material for the device providing high optical confinement, reduced system size and fast operation. The electro-optic SPP switching element is shown to operate at signal modulation up to -24dB and switching rates surpassing 100GHz, thus potentially providing a new pathway toward bridging the gap between electronic and photonic devices. The current work is funded by the NSF EPSCoR CIMM project under award #OIA-1541079.

Semiclassics, Goldstone bosons and CFT data

NASA Astrophysics Data System (ADS)

Monin, A.; Pirtskhalava, D.; Rattazzi, R.; Seibold, F. K.

2017-06-01

Hellerman et al. (arXiv:1505.01537) have shown that in a generic CFT the spectrum of operators carrying a large U(1) charge can be analyzed semiclassically in an expansion in inverse powers of the charge. The key is the operator state correspondence by which such operators are associated with a finite density superfluid phase for the theory quantized on the cylinder. The dynamics is dominated by the corresponding Goldstone hydrodynamic mode and the derivative expansion coincides with the inverse charge expansion. We illustrate and further clarify this situation by first considering simple quantum mechanical analogues. We then systematize the approach by employing the coset construction for non-linearly realized space-time symmetries. Focussing on CFT3 we illustrate the case of higher rank and non-abelian groups and the computation of higher point functions. Three point function coefficients turn out to satisfy universal scaling laws and correlations as the charge and spin are varied.

The electrostatic properties of Fiber-Reinforced-Plastics double wall underground storage gasoline tanks

NASA Astrophysics Data System (ADS)

Li, Yipeng; Liu, Quanzhen; Meng, He; Sun, Lifu; Zhang, Yunpeng

2013-03-01

At present Fiber Reinforced Plastics (FRP) double wall underground storage gasoline tanks are wildly used. An FRP product with a resistance of more than 1011 Ω is a static non-conductor, so it is difficult for the static electricity in the FRP product to decay into the earth. In this paper an experimental system was built to simulate an automobile gasoline filling station. Some electrostatic parameters of the gasoline, including volume charge density, were tested when gasoline was unloaded into a FRP double wall underground storage tank. Measurements were taken to make sure the volume charge density in the oil-outlet was similar to the volume charge density in the tank. In most cases the volume charge density of the gasoline was more than 22.7 μC m-3, which is likely to cause electrostatic discharge in FRP double wall underground storage gasoline tanks. On the other hand, it would be hard to ignite the vapor by electrostatic discharge since the vapor pressure in the tanks is over the explosion limit. But when the tank is repaired or re-used, the operators must pay attention to the static electricity and some measurements should be taken to avoid electrostatic accident. Besides the relaxation time of charge in the FRP double wall gasoline storage tanks should be longer.

Low-Temperature Supercapacitors

NASA Technical Reports Server (NTRS)

Brandon, Erik J.; West, William C.; Smart, Marshall C.

2008-01-01

An effort to extend the low-temperature operational limit of supercapacitors is currently underway. At present, commercially available non-aqueous supercapacitors are rated for a minimum operating temperature of -40 C. A capability to operate at lower temperatures would be desirable for delivering power to systems that must operate in outer space or in the Polar Regions on Earth. Supercapacitors (also known as double-layer or electrochemical capacitors) offer a high power density (>1,000 W/kg) and moderate energy density (about 5 to 10 Wh/kg) technology for storing energy and delivering power. This combination of properties enables delivery of large currents for pulsed applications, or alternatively, smaller currents for low duty cycle applications. The mechanism of storage of electric charge in a supercapacitor -- at the electrical double-layer formed at a solid-electrode/liquid-electrolyte interface -- differs from that of a primary or secondary electrochemical cell (i.e., a battery) in such a manner as to impart a long cycle life (typically >10(exp 6) charge/discharge cycles).

Tunnel field-effect transistor charge-trapping memory with steep subthreshold slope and large memory window

NASA Astrophysics Data System (ADS)

Kino, Hisashi; Fukushima, Takafumi; Tanaka, Tetsu

2018-04-01

Charge-trapping memory requires the increase of bit density per cell and a larger memory window for lower-power operation. A tunnel field-effect transistor (TFET) can achieve to increase the bit density per cell owing to its steep subthreshold slope. In addition, a TFET structure has an asymmetric structure, which is promising for achieving a larger memory window. A TFET with the N-type gate shows a higher electric field between the P-type source and the N-type gate edge than the conventional FET structure. This high electric field enables large amounts of charges to be injected into the charge storage layer. In this study, we fabricated silicon-oxide-nitride-oxide-semiconductor (SONOS) memory devices with the TFET structure and observed a steep subthreshold slope and a larger memory window.

Primary energy reconstruction from the charged particle densities recorded at 500 m distance from shower core with the KASCADE-Grande detector

NASA Astrophysics Data System (ADS)

Toma, G.; Apel, W. D.; Arteaga, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brâncuş, I. M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrică, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schröder, F. G.; Sima, O.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2011-05-01

Previous EAS investigations have shown that for a fixed primary energy the charged particle density becomes independent of the primary mass at certain (fixed) distances from the shower axis. This feature can be used as an estimator for the primary energy. We present results on the reconstruction of the primary energy spectrum of cosmic rays from the experimentally recorded S(500) observable (the density of charged particles at a distance of 500 m to the shower core as measured in a plane normal to the shower axis) using the KASCADE-Grande detector array. The KASCADE-Grande experiment is hosted by the Karlsruhe Institute for Technology - Campus North, Karlsruhe, Germany, 110 m a.s.l. and operated by an international collaboration. The obtained primary energy spectrum is presented along with the result of another reconstruction technique presently employed at KASCADE-Grande.

Fog dispersion. [charged particle technique

NASA Technical Reports Server (NTRS)

Christensen, L. S.; Frost, W.

1980-01-01

The concept of using the charged particle technique to disperse warm fog at airports is investigated and compared with other techniques. The charged particle technique shows potential for warm fog dispersal, but experimental verification of several significant parameters, such as particle mobility and charge density, is needed. Seeding and helicopter downwash techniques are also effective for warm fog disperals, but presently are not believed to be viable techniques for routine airport operations. Thermal systems are currently used at a few overseas airports; however, they are expensive and pose potential environmental problems.

Thermal modeling of a Ni-H2 battery cell

NASA Technical Reports Server (NTRS)

Ryu, Si-Ok; Dewitt, K. J.; Keith, T. G.

1991-01-01

The nickel-hydrogen secondary battery has many desirable features which make it attractive for satellite power systems. It can provide a significant improvement over the energy density of present spacecraft nickel-cadnium batteries, combined with longer life, tolerance to overcharge and possibility of state-of-charge indication. However, to realize these advantages, accurate thermal modeling of nickel-hydrogen cells is required in order to properly design the battery pack so that it operates within a specified temperature range during the operation. Maintenance of a low operating temperature and a uniform temperature profile within the cell will yield better reliability, improved cycle life and better charge/discharge efficiencies. This research has the objective of developing and testing a thermal model which can be used to characterize battery operation. Primarily, temperature distribution with the heat generation rates as a function of position and time will be evaluated for a Ni-H2 cell in the three operating modes: (1) charge cycle, (2) discharge cycle, and (3) overcharge condition, if applicable. Variables to be examined include charging current, discharge rates, state of charge, pressure and temperature. Once the thermal model has been developed, this resulting model will predict the actual operating temperature and temperature gradient for the specific cell geometry to be used.

Insulator edge voltage gradient effects in spacecraft charging phenomena

NASA Technical Reports Server (NTRS)

Stevens, N. J.; Purvis, C. K.; Staskus, J. V.

1978-01-01

Insulating surfaces on geosynchronous satellites were charged by geomagnetic substorms to a point where discharges occur. The electromagnetic pulses from these discharges couple into satellite electronic systems disrupting operations are examined. Laboratory tests conducted on insulator charging have indicated that discharges appear to be initiated at insulator edges where voltage gradients can exist. An experimental investigation was conducted to measure edge voltage gradients on silvered Teflon samples as they are charged by monoenergetic electron beams. It was found that the surface voltage at insulator edges can be approximated by an exponential expression based on an electron current density balance.

Electrochemical treatment of cetrimonium chloride with boron-doped diamond anodes. A technical and economical approach.

PubMed

de Araújo, Brenda R S; Linares León, José J

2018-05-15

This study presents the results of the electrochemical degradation of the emulsifier cetrimonium chloride (CTAC) on a boron-doped diamond (BDD) anode under different current densities and flow rates. Higher values of these parameters result in a more rapid removal. Nevertheless, operation at low current reduces the required applied charge and increases the chemical oxygen demand (COD) removal efficiency, as there is less development of ineffective parasitic reactions. On the other hand, high flow rates reduce the required volumetric applied charge and increase the COD removal current efficiency. In order to assist and enrich the study, an economic analysis has been performed. For short expected plant lifespans, operation at low current is advantageous due to the lower investment required, whereas for longer expected lifespans, the operational costs make the lower current densities less costly. High flow rates are always advantageous from a financial point of view. Copyright © 2018 Elsevier Ltd. All rights reserved.

Determination of Charge-Carrier Mobility in Disordered Thin-Film Solar Cells as a Function of Current Density

NASA Astrophysics Data System (ADS)

Mäckel, Helmut; MacKenzie, Roderick C. I.

2018-03-01

Charge-carrier mobility is a fundamental material parameter, which plays an important role in determining solar-cell efficiency. The higher the mobility, the less time a charge carrier will spend in a device and the less likely it is that it will be lost to recombination. Despite the importance of this physical property, it is notoriously difficult to measure accurately in disordered thin-film solar cells under operating conditions. We, therefore, investigate a method previously proposed in the literature for the determination of mobility as a function of current density. The method is based on a simple analytical model that relates the mobility to carrier density and transport resistance. By revising the theoretical background of the method, we clearly demonstrate what type of mobility can be extracted (constant mobility or effective mobility of electrons and holes). We generalize the method to any combination of measurements that is able to determine the mean electron and hole carrier density, and the transport resistance at a given current density. We explore the robustness of the method by simulating typical organic solar-cell structures with a variety of physical properties, including unbalanced mobilities, unbalanced carrier densities, and for high or low carrier trapping rates. The simulations reveal that near VOC and JSC , the method fails due to the limitation of determining the transport resistance. However, away from these regions (and, importantly, around the maximum power point), the method can accurately determine charge-carrier mobility. In the presence of strong carrier trapping, the method overestimates the effective mobility due to an underestimation of the carrier density.

The impact of nano-coating on surface charge accumulation of epoxy resin insulator: characteristic and mechanism

NASA Astrophysics Data System (ADS)

Qi, Bo; Gao, Chunjia; Lv, Yuzhen; Li, Chengrong; Tu, Youping; Xiong, Jun

2018-06-01

The flashover phenomenon of the insulator is the main cause for insulating failure of GIS/GIL, and one of the most critical impacting factors is the accumulation of surface charge. The common methods to restrain the surface charge accumulation are reviewed in this paper. Through the reasonable comparison and analysis of these methods, nano-coatings for the insulator were selected as a way to restrain the surface charge accumulation. Based on this, six nano-coated epoxy resin samples with different concentrations of P25-TiO2 nanoparticles were produced. A high precision 3D surface charge measurement system was developed in this paper with a spatial resolution of 4.0 mm2 and a charge resolution of 0.01 µC (m2 · mV)‑1. The experimental results for the epoxy resin sample showed that with the concentration of nanoparticles of the coating material increasing, the surface charge density tended to first decrease and then increase. In the sample coated with 0.5% concentration of nanoparticles, the suppression effect is the optimum, leading to a 63.8% reduction of charge density under DC voltage. The application test for actual nano-coated GIS/GIL basin insulator indicated that the maximum suppression degree for the charge density under DC voltage could reach 48.3%, while it could reach 22.2% for switching impulse voltage and 12.5% for AC context. The control mechanism of nano-coatings on charge accumulation was proposed based on the analysis for surface morphology features and traps characteristics; the shallow traps dominate in the migration of charges while the deep traps operate on the charge accumulation. With the concentration of nanoparticles in nano-coating material mounting up, the density of shallow traps continuously increases, while for deep traps, it first decreases and then increases. For the sample with 0.5% concentration of nanoparticles coated, the competition between shallow traps and deep traps comes to the most balanced state, producing the most significant suppression impact on surface charge accumulation.

Voltage-Dependent Charge Storage in Cladded Zn0.56Cd0.44Se Quantum Dot MOS Capacitors for Multibit Memory Applications

NASA Astrophysics Data System (ADS)

Khan, J.; Lingalugari, M.; Al-Amoody, F.; Jain, F.

2013-11-01

As conventional memories approach scaling limitations, new storage methods must be utilized to increase Si yield and produce higher on-chip memory density. Use of II-VI Zn0.56Cd0.44Se quantum dots (QDs) is compatible with epitaxial gate insulators such as ZnS-ZnMgS. Voltage-dependent charging effects in cladded Zn0.56Cd0.44Se QDs are presented in a conventional metal-oxide-semiconductor capacitor structure. Charge storage capabilities in Si and ZnMgS QDs have been reported by various researchers; this work is focused on II-VI material Zn0.56Cd0.44Se QDs nucleated using photoassisted microwave plasma metalorganic chemical vapor deposition. Using capacitance-voltage hysteresis characterization, the multistep charging and discharging capabilities of the QDs at room temperature are presented. Three charging states are presented within a 10 V charging voltage range. These characteristics exemplify discrete charge states in the QD layer, perfect for multibit, QD-functionalized high-density memory applications. Multiple charge states with low operating voltage provide device characteristics that can be used for multibit storage by allowing varying charges to be stored in a QD layer based on the applied "write" voltage.

Spacecraft Charging Hazards In Low-earth Orbit

NASA Astrophysics Data System (ADS)

Anderson, P. C.

The space environment in low-Earth orbit (LEO) has until recently been considered quite benign to high levels of spacecraft charging. However, it has been found that the DMSP spacecraft at 840 km can charge to very large negative voltages (up to - 2000 V) when encountering intense precipitating electron events (auroral arcs) while traversing the auroral zone. The occurrence frequency of charging events, defined as when the spacecraft charged to levels exceeding 100 V negative, was highly correlated with the 11-year solar cycle with the largest number of events occurring during solar minimum. This was due to the requirement that the background thermal plasma den- sity be low, at most 104 cm-2. During solar maximum, the plasma density is typically well above that level due to the solar EUV ionizing radiation, and although the oc- currence frequency of auroral arcs is considerably greater than at solar minimum, the occurrence of high-level charging is minimal. Indeed, of the over 1200 events found during the most recent solar cycle, none occurred during the last solar maximum. This has implications to a number of LEO satellite programs, including the International Space Station (ISS). The plasma density in the ISS orbit, at a much lower altitude than DMSP, is well above that at 840 km and rarely below 104 cm-2. However, in the wake of the ISS, the plasma density can be 2 orders of magnitude or more lower than the background density and thus conditions are ripe for significant charging effects. With an inclination of 51.6 degrees, the ISS does enter the auroral zone, particularly during geomagnetic storms and substorms when the auroral boundary can penetrate to very low latitudes. This has significant implications for EVA operations in the ISS wake.

Multibit Polycristalline Silicon-Oxide-Silicon Nitride-Oxide-Silicon Memory Cells with High Density Designed Utilizing a Separated Control Gate

NASA Astrophysics Data System (ADS)

Rok Kim, Kyeong; You, Joo Hyung; Dal Kwack, Kae; Kim, Tae Whan

2010-10-01

Unique multibit NAND polycrystalline silicon-oxide-silicon nitride-oxide-silicon (SONOS) memory cells utilizing a separated control gate (SCG) were designed to increase memory density. The proposed NAND SONOS memory device based on a SCG structure was operated as two bits, resulting in an increase in the storage density of the NVM devices in comparison with conventional single-bit memories. The electrical properties of the SONOS memory cells with a SCG were investigated to clarify the charging effects in the SONOS memory cells. When the program voltage was supplied to each gate of the NAND SONOS flash memory cells, the electrons were trapped in the nitride region of the oxide-nitride-oxide layer under the gate to supply the program voltage. The electrons were accumulated without affecting the other gate during the programming operation, indicating the absence of cross-talk between two trap charge regions. It is expected that the inference effect will be suppressed by the lower program voltage than the program voltage of the conventional NAND flash memory. The simulation results indicate that the proposed unique NAND SONOS memory cells with a SCG can be used to increase memory density.

Ozone and dinitrogen monoxide production in atmospheric pressure air dielectric barrier discharge plasma effluent generated by nanosecond pulse superimposed alternating current voltage

NASA Astrophysics Data System (ADS)

Takashima, Keisuke; Kaneko, Toshiro

2017-06-01

The effects of nanosecond pulse superposition to alternating current voltage (NS + AC) on the generation of an air dielectric barrier discharge (DBD) plasma and reactive species are experimentally studied, along with measurements of ozone (O3) and dinitrogen monoxide (N2O) in the exhausted gas through the air DBD plasma (air plasma effluent). The charge-voltage cycle measurement indicates that the role of nanosecond pulse superposition is to induce electrical charge transport and excess charge accumulation on the dielectric surface following the nanosecond pulses. The densities of O3 and N2O in NS + AC DBD are found to be significantly increased in the plasma effluent, compared to the sum of those densities generated in NS DBD and AC DBD operated individually. The production of O3 and N2O is modulated significantly by the phase in which the nanosecond pulse is superimposed. The density increase and modulation effects by the nanosecond pulse are found to correspond with the electrical charge transport and the excess electrical charge accumulation induced by the nanosecond pulse. It is suggested that the electrical charge transport by the nanosecond pulse might result in the enhancement of the nanosecond pulse current, which may lead to more efficient molecular dissociation, and the excess electrical charge accumulation induced by the nanosecond pulse increases the discharge coupling power which would enhance molecular dissociation.

State of charge monitoring of vanadium redox flow batteries using half cell potentials and electrolyte density

NASA Astrophysics Data System (ADS)

Ressel, Simon; Bill, Florian; Holtz, Lucas; Janshen, Niklas; Chica, Antonio; Flower, Thomas; Weidlich, Claudia; Struckmann, Thorsten

2018-02-01

The operation of vanadium redox flow batteries requires reliable in situ state of charge (SOC) monitoring. In this study, two SOC estimation approaches for the negative half cell are investigated. First, in situ open circuit potential measurements are combined with Coulomb counting in a one-step calibration of SOC and Nernst potential which doesn't need additional reference SOCs. In-sample and out-of-sample SOCs are estimated and analyzed, estimation errors ≤ 0.04 are obtained. In the second approach, temperature corrected in situ electrolyte density measurements are used for the first time in vanadium redox flow batteries for SOC estimation. In-sample and out-of-sample SOC estimation errors ≤ 0.04 demonstrate the feasibility of this approach. Both methods allow recalibration during battery operation. The actual capacity obtained from SOC calibration can be used in a state of health model.

Correlation of ISS Electric Potential Variations with Mission Operations

NASA Technical Reports Server (NTRS)

Willis, Emily M.; Minow, Joseph I.; Parker, Linda Neergaard

2014-01-01

Spacecraft charging on the International Space Station (ISS) is caused by a complex combination of the low Earth orbit plasma environment, space weather events, operations of the high voltage solar arrays, and changes in the ISS configuration and orbit parameters. Measurements of the ionospheric electron density and temperature along the ISS orbit and variations in the ISS electric potential are obtained from the Floating Potential Measurement Unit (FPMU) suite of four plasma instruments (two Langmuir probes, a Floating Potential Probe, and a Plasma Impedance Probe) on the ISS. These instruments provide a unique capability for monitoring the response of the ISS electric potential to variations in the space environment, changes in vehicle configuration, and operational solar array power manipulation. In particular, rapid variations in ISS potential during solar array operations on time scales of tens of milliseconds can be monitored due to the 128 Hz sample rate of the Floating Potential Probe providing an interesting insight into high voltage solar array interaction with the space plasma environment. Comparing the FPMU data with the ISS operations timeline and solar array data provides a means for correlating some of the more complex and interesting ISS electric potential variations with mission operations. In addition, recent extensions and improvements to the ISS data downlink capabilities have allowed more operating time for the FPMU than ever before. The FPMU was operated for over 200 days in 2013 resulting in the largest data set ever recorded in a single year for the ISS. In this paper we provide examples of a number of the more interesting ISS charging events observed during the 2013 operations including examples of rapid charging events due to solar array power operations, auroral charging events, and other charging behavior related to ISS mission operations.

Correlation of ISS Electric Potential Variations with Mission Operations

NASA Technical Reports Server (NTRS)

Willis, Emily M.; Minow, Joseph I.; Parker, Linda Neergaard

2014-01-01

Spacecraft charging on the International Space Station (ISS) is caused by a complex mix of the low Earth orbit plasma environment, space weather events, operations of the high voltage solar arrays, and changes in the ISS configuration and orbit parameters. Measurements of the ionospheric electron density and temperature along the ISS orbit and variations in the ISS electric potential are obtained from the Floating Potential Measurement Unit (FPMU) suite of four plasma instruments (two Langmuir probes, a Floating Potential Probe, and a Plasma Impedance Probe) on the ISS. These instruments provide a unique capability for monitoring the response of the ISS electric potential to variations in the space environment, changes in vehicle configuration, and operational solar array power manipulation. In particular, rapid variations in ISS potential during solar array operations on time scales of tens of milliseconds can be monitored due to the 128 Hz sample rate of the Floating Potential Probe providing an interesting insight into high voltage solar array interaction with the space plasma environment. Comparing the FPMU data with the ISS operations timeline and solar array data provides a means for correlating some of the more complex and interesting ISS electric potential variations with mission operations. In addition, recent extensions and improvements to the ISS data downlink capabilities have allowed more operating time for the FPMU than ever before. The FPMU was operated for over 200 days in 2013 resulting in the largest data set ever recorded in a single year for the ISS. This presentation will provide examples of a number of the more interesting ISS charging events observed during the 2013 operations including examples of rapid charging events due to solar array power operations, auroral charging events, and other charging behavior related to ISS mission operations.

Modeling the effect of shunt current on the charge transfer efficiency of an all-vanadium redox flow battery

NASA Astrophysics Data System (ADS)

Chen, Yong-Song; Ho, Sze-Yuan; Chou, Han-Wen; Wei, Hwa-Jou

2018-06-01

In an all-vanadium redox flow battery (VRFB), a shunt current is inevitable owing to the electrically conductive electrolyte that fills the flow channels and manifolds connecting cells. The shunt current decreases the performance of a VRFB stack as well as the energy conversion efficiency of a VRFB system. To understand the shunt-current loss in a VRFB stack with various designs and operating conditions, a mathematical model is developed to investigate the effects of the shunt current on battery performance. The model is calibrated with experimental data under the same operating conditions. The effects of the battery design, including the number of cells, state of charge (SOC), operating current, and equivalent resistance of the electrolytes in the flow channels and manifolds, on the shunt current are analyzed and discussed. The charge-transfer efficiency is calculated to investigate the effects of the battery design parameters on the shunt current. When the cell number is increased from 5 to 40, the charge transfer efficiency is decreased from 0.99 to a range between 0.76 and 0.88, depending on operating current density. The charge transfer efficiency can be maintained at higher than 0.9 by limiting the cell number to less than 20.

Currents Induced by Injected Charge in Junction Detectors

PubMed Central

Gaubas, Eugenijus; Ceponis, Tomas; Kalesinskas, Vidas

2013-01-01

The problem of drifting charge-induced currents is considered in order to predict the pulsed operational characteristics in photo- and particle-detectors with a junction controlled active area. The direct analysis of the field changes induced by drifting charge in the abrupt junction devices with a plane-parallel geometry of finite area electrodes is presented. The problem is solved using the one-dimensional approach. The models of the formation of the induced pulsed currents have been analyzed for the regimes of partial and full depletion. The obtained solutions for the current density contain expressions of a velocity field dependence on the applied voltage, location of the injected surface charge domain and carrier capture parameters. The drift component of this current coincides with Ramo's expression. It has been illustrated, that the synchronous action of carrier drift, trapping, generation and diffusion can lead to a vast variety of possible current pulse waveforms. Experimental illustrations of the current pulse variations determined by either the rather small or large carrier density within the photo-injected charge domain are presented, based on a study of Si detectors. PMID:24036586

Caracterisation des mecanismes d'usure en cavitation de revetements HVOF a base de CaviTec

NASA Astrophysics Data System (ADS)

Lavigne, Sebastien

The increasing demand for high performance power conversion systems continuously pushes for improvement in efficiency and power density. This dissertation focuses on a topological effort to efficiently utilize the active and passive devices. In particular, a hybrid approach is adopted, where both capacitors and inductors are used in the voltage conversion and power transfer process. Conventional capacitor-based converters, called switched-capacitor (SC) converters, suffer from poor efficiency due to the inevitable charge redistribution process. With a strategic placement of one or more inductors, the charge redistribution loss can be eliminated by inductively charging/discharging the capacitors, a process called soft-charging operation. As a result, the capacitor size can be greatly reduced without reducing the efficiency. A general analytical framework is presented, which determines whether an arbitrary SC topology is able to achieve full soft-charging operation with a single inductor. For topologies that cannot, a split-phase control technique is introduced, which amends existing two-phase controls to completely eliminate the charge redistribution loss. In addition, alternative placements of inductors are explored to extend the family of hybrid converters. The hybrid converters can have two modes of operation, the fixed-ratio mode and pulse width modulated (PWM) mode. The fixed-conversion-ratio hybrid converters operate in a similar manner to that of a conventional SC converter, with the addition of a soft-charging inductor. The switching frequency of such converters can be adjusted to operate in either zero current switching (ZCS) mode or continuous conduction mode (CCM), which allows for the trade-off of switching loss and conduction loss. It is shown that the capacitor and inductor values can be selected to achieve a minimal passive component volume, which can be significantly smaller than that of a conventional SC converter or a magnetic-based converter. On the other hand, PWM-based hybrid converters generate a PWM rectangular wave as the terminal voltage to the inductor, similar to the operation of a buck converter. In contrast to conventional SC converters, such hybrid converters can achieve lossless and continuous regulation of the output voltage. Compared to buck converters, the required inductor is greatly reduced, as well as the switch stress. A 80-170 V input, 12-24 V output prototype PWM Dickson converter is implemented using GaN switches. The measured peak efficiency is 97%, and high efficiency can be maintained over the entire input and output operating range. In addition, the similarity between multilevel converters (for example, flying capacitor multilevel (FCML) converters) and the PWM-based hybrid SC converters is discussed. Both types of converters can be seen as a hybrid converter which uses both capacitors and inductors for energy transfer. A general framework to compare these converters, along with conventional buck converters, is proposed. In this framework, the power losses (including conduction loss and switching loss) are kept constant, while the total passive component volume is used as the figure of merit. Based on the principle of maximizing energy utilization of passive components, a 7-level FCML converter and an active energy buffer are designed and implemented for single phase dc-ac applications. In addition, the stand-alone system includes a start-up circuitry, EMC filter and auxiliary power supply. The enclosed box achieves a combined power density of 216 W/in3 and an efficiency of 97.4%, and compares favorably against the state-of-the-art designs under the same specification. To further improve the efficiency and power density, soft-switching techniques are investigated and applied on the hybrid converters. A zero voltage switching (ZVS) technique is introduced for both the fixed-ratio mode and the PWM mode operated hybrid converters. The previous hardware prototypes are modified for ZVS operation, and prove the feasibility of simultaneous soft-charging and soft-switching operation. Last but not the least, some of the practical issues associated with the hybrid converter are discussed, such as practical capacitor selection, capacitor voltage balancing and other circuit implementation challenges. Future work based on these topics is given. In summary, these hybrid converters are suited for applications where extreme efficiency and power density are critical. Through efficient utilization of active and passive devices, the hybrid topologies can offer a greater optimization opportunity and ability to take advantage of technology improvement than is possible with conventional designs.

Modeling the hydrodynamic and electrochemical efficiency of semi-solid flow batteries

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

Brunini, VE; Chiang, YM; Carter, WC

2012-05-01

A mathematical model of flow cell operation incorporating hydrodynamic and electrochemical effects in three dimensions is developed. The model and resulting simulations apply to recently demonstrated high energy-density semi-solid flow cells. In particular, state of charge gradients that develop during low flow rate operation and their effects on the spatial non-uniformity of current density within flow cells are quantified. A one-dimensional scaling model is also developed and compared to the full three-dimensional simulation. The models are used to demonstrate the impact of the choice of electrochemical couple on flow cell performance. For semi-solid flow electrodes, which can use solid activemore » materials with a wide variety of voltage-capacity responses, we find that cell efficiency is maximized for electrochemical couples that have a relatively flat voltage vs. capacity curve, operated under slow flow conditions. For example, in flow electrodes limited by macroscopic charge transport, an LiFePO4-based system requires one-third the polarization to reach the same cycling rate as an LiCoO2-based system, all else being equal. Our conclusions are generally applicable to high energy density flow battery systems, in which flow rates can be comparatively low for a given required power. (C) 2012 Elsevier Ltd. All rights reserved.« less

High performance asymmetric supercapacitor based on polypyrrole/graphene composite and its derived nitrogen-doped carbon nano-sheets

NASA Astrophysics Data System (ADS)

Zhu, Jianbo; Feng, Tianyu; Du, Xianfeng; Wang, Jingping; Hu, Jun; Wei, LiPing

2017-04-01

Neutral aqueous medium is a promising electrolyte for supercapacitors because it is low-cost, environmental-friendly and can achieve rapid charging/discharging with high power density. However, the energy density of such supercapacitor is significantly limited by its narrow operational voltage window. Herein, we demonstrated an effective approach to broaden the operational voltage window by fabricating an asymmetric supercapacitor (ASC) with polypyrrole/reduced graphene oxide (PPy/rGO) composite and its derived Nitrogen-doped carbon nano-sheets (NCs) as positive and negative electrode material, respectively. The homogeneous nano-sheet and mesoporous structure of PPy/rGO and NCs can facilitate rapid charge/ion migration and provide more active sites for ions adsorption/exchange to improve their electrochemical performance. Benefiting from high capacitance and good rate performance of PPy/rGO and NCs electrodes, the as-fabricated ASCs devices in a polyvinyl alcohol/LiCl gel electrolyte can realize a wide operational voltage of 1.6 V and deliver high energy density of 15.8 wh kg-1 (1.01 mWh cm-3) at 0.14 kW kg-1 (19.3 mW cm-3), which still remains 9.5 wh kg-1as power density increases to 6.56 kW kg-1, as well as excellent long-term cycling stability with about 88.7% capacitance retention after 10000 cycles. The remarkable performances suggest that the ASCs devices are promising for future energy storage applications.

Magnetically Filtered Faraday Probe for Measuring the Ion Current Density Profile of a Hall Thruster

DTIC Science & Technology

2006-01-01

Hall thruster is investigated. The MFFP is designed to eliminate the collection of low-energy, charge-exchange (CEX) ions by using a variable magnetic field as an ion filter. In this study, a MFFP, Faraday probe with a reduced acceptance angle (BFP), and nude Faraday probe are used to measure the ion current density profile of a 5 kW Hall thruster operating over the range of 300-500 V and 5-10 mg/s. The probes are evaluated on a xenon propellant Hall thruster in the University of Michigan Large Vacuum Test Facility at operating

Capacitance-voltage characteristics of sub-nanometric Al2O3 / TiO2 laminates: dielectric and interface charge densities.

PubMed

Kahouli, Abdelkader; Elbahri, Marwa Ben; Lebedev, Oleg; Lüders, Ulrike

2017-07-12

Advanced amorphous sub-nanometric laminates based on TiO 2 and Al 2 O 3 were deposited by atomic layer deposition at low temperature. Low densities of 'slow' and 'fast' interface states are achieved with values of 3.96 · 10 10 cm -2 and 4.85 · 10 -9 eV -1 cm -2 , respectively, by using a 40 nm laminate constituted of 0.7 nm TiO 2 and 0.8 nm Al 2 O 3 . The sub-nanometric laminate shows a low hysteresis width of 20 mV due to the low oxide charge density of about 3.72 · 10 11 cm -2 . Interestingly, such properties are required for stable and reliable performance of MOS capacitors and transistor operation. Thus, decreasing the individual layer thickness to the sub-nanometric range and combining two dielectric materials with oppositely charged defects may play a major role in the electrical response, highly promising for the application in future micro and nano-electronics applications.

Moderate temperature sodium cells. V - Discharge reactions and rechargeability of NiS and NiS2 positive electrodes in molten NaAlCl4

NASA Technical Reports Server (NTRS)

Abraham, K. M.; Elliot, J. E.

1984-01-01

NiS2 and NiS have been characterized as high energy density rechargeable positive electrodes for moderate-temperature Na batteries of the configuration, Na(1)/beta double prime-Al2O3/NaAlCl4(1), NiSx. The batteries operate in the temperature range 170 - 190 C. Positive electrode reactions during discharge/charge cycles have been characterized. Excellent rechargeability of the batteries has been demonstrated by extended cell cycling. A Na/NiS2 cell, operating at 190 C, exceeded 600 deep discharge/charge cycles with practically no capacity deterioration. The feasibility of secondary Na/NiSx batteries with specific energies equal to or greater than 50 Wh/lb and cycle lifes exceeding 1000 deep discharge/charge cycles has been demonstrated.

Green's function enriched Poisson solver for electrostatics in many-particle systems

NASA Astrophysics Data System (ADS)

Sutmann, Godehard

2016-06-01

A highly accurate method is presented for the construction of the charge density for the solution of the Poisson equation in particle simulations. The method is based on an operator adjusted source term which can be shown to produce exact results up to numerical precision in the case of a large support of the charge distribution, therefore compensating the discretization error of finite difference schemes. This is achieved by balancing an exact representation of the known Green's function of regularized electrostatic problem with a discretized representation of the Laplace operator. It is shown that the exact calculation of the potential is possible independent of the order of the finite difference scheme but the computational efficiency for higher order methods is found to be superior due to a faster convergence to the exact result as a function of the charge support.

Boundary conditions on the plasma emitter surface in the presence of a particle counter flow: I. Ion emitter

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

Astrelin, V. T., E-mail: V.T.Astrelin@inp.nsk.su; Kotelnikov, I. A.

Emission of positively charged ions from a plasma emitter irradiated by a counterpropagating electron beam is studied theoretically. A bipolar diode with a plasma emitter in which the ion temperature is lower than the electron temperature and the counter electron flow is extracted from the ion collector is calculated in the one-dimensional model. An analog of Bohm’s criterion for ion emission in the presence of a counterpropagating electron beam is derived. The limiting density of the counterpropagating beam in a bipolar diode operating in the space-charge-limited-emission regime is calculated. The full set of boundary conditions on the plasma emitter surfacemore » that are required for operation of the high-current optics module in numerical codes used to simulate charged particle sources is formulated.« less

Modeling of Optical Waveguide Poling and Thermally Stimulated Discharge (TSD) Charge and Current Densities for Guest/Host Electro Optic Polymers

NASA Technical Reports Server (NTRS)

Watson, Michael D.; Ashley, Paul R.; Abushagur, Mustafa

2004-01-01

A charge density and current density model of a waveguide system has been developed to explore the effects of electric field electrode poling. An optical waveguide may be modeled during poling by considering the dielectric charge distribution, polarization charge distribution, and conduction charge generated by the poling field. These charge distributions are the source of poling current densities. The model shows that boundary charge current density and polarization current density are the major source of currents measured during poling and thermally stimulated discharge These charge distributions provide insight into the poling mechanisms and are directly related to E(sub A), and, alpha(sub r). Initial comparisons with experimental data show excellent correlation to the model results.

Development and study of charge sensors for fast charge detection in quantum dots

NASA Astrophysics Data System (ADS)

Thalakulam, Madhu

Charge detection at microsecond time-scales has far reaching consequences in both technology and in our understanding of electron dynamics in nanoscale devices such as quantum dots. Radio-frequency superconducting single electron transistors (RF-SET) and quantum point contacts (QPC) are ultra sensitive charge sensors operating near the quantum limit. The operation of RF-SETs outside the superconducting gap has been a topic of study; the sub-gap operation, especially in the presence of large quantum fluctuations of quasiparticles remains largely unexplored, both theoretically and experimentally. We have investigated the effects of quantum fluctuations of quasiparticles on the operation of RF-SETs for large values of the quasiparticle cotunneling parameter alpha = 8EJ/Ec, where EJ and Ec are the Josephson and charging energies. We find that, for alpha > 1, sub-gap RF-SET operation is still feasible despite quantum fluctuations that wash out quasiparticle tunneling thresholds. Such RF-SETs show linearity and signal-to-noise ratio superior to those obtained when quantum fluctuations are weak, while still demonstrating excellent charge sensitivity. We have operated a QPC charge detector in a radio frequency mode that allows fast charge detection in a bandwidth of several megahertz. The noise limiting the sensitivity of the charge detector is not the noise of a secondary amplifier, but the non-equilibrium device noise of the QPC itself. The noise power averaged over a measurement bandwidth of about 10MHz around the carrier frequency is in agreement with the theory of photon-assisted shot noise. Frequency-resolved measurements, however show several significant discrepancies with the theoretical predictions. The measurement techniques developed can also be used to investigate the noise of other semiconductor nanostructures such as quantum dots in the Kondo regime. A study of the noise characteristics alone can not determine whether the device is operating at the quantum limit; a characterization of back action is also necessary. The inelastic current through a double quantum dot system (DQD) is sensitive to the spectral density of voltage fluctuations in its electromagnetic environment. Electrical transport studies on a DQD system electrostatically coupled to an SET shows qualitative evidence of back-action of SET. The design and fabrication of a few electron DQD device with integrated RF-SET and QPC charge sensors for the study of back action of the sensors and real-time electron dynamics in the DQD are also discussed.

Removal of unburned carbon from coal fly ash using a pneumatic triboelectrostatic separator.

PubMed

Kim, J K; Cho, H C; Kim, S C

2001-01-01

A pneumatic triboelectrostatic beneficiation system of fly ash was studied using a continuous, bench-scale electroseparator composed of two vertical electrode plates and an ejector-tribocharger. Tests were conducted to evaluate the charge density and the separation efficiency at various operating conditions. It was found that the higher charge densities were obtained at (1) the air flow rate of 1.75 m3/min. (2) the feed rate of less than 50 kg/h. and (3) the relative humidity of less than 30% with use of a stainless ejector tribocharger. With these optimum conditions, the clean ash of less than LOI 3% was recovered with a yield over 75% when operated at the diffuser slit gap of 4mm, the diffuser outlet velocity of 16.1-18.6 m/s, and the distance of 15 cm between diffuser slit and splitter. The optimum feed rate was found to be 740 kg/h per m2 of electrode surface area, which can be used as a scale-up factor of electroseparator.

High energy density asymmetric supercapacitors with a nickel oxide nanoflake cathode and a 3D reduced graphene oxide anode

NASA Astrophysics Data System (ADS)

Luan, Feng; Wang, Gongming; Ling, Yichuan; Lu, Xihong; Wang, Hanyu; Tong, Yexiang; Liu, Xiao-Xia; Li, Yat

2013-08-01

Here we demonstrate a high energy density asymmetric supercapacitor with nickel oxide nanoflake arrays as the cathode and reduced graphene oxide as the anode. Nickel oxide nanoflake arrays were synthesized on a flexible carbon cloth substrate using a seed-mediated hydrothermal method. The reduced graphene oxide sheets were deposited on three-dimensional (3D) nickel foam by hydrothermal treatment of nickel foam in graphene oxide solution. The nanostructured electrodes provide a large effective surface area. The asymmetric supercapacitor device operates with a voltage of 1.7 V and achieved a remarkable areal capacitance of 248 mF cm-2 (specific capacitance of 50 F g-1) at a charge/discharge current density of 1 mA cm-2 and a maximum energy density of 39.9 W h kg-1 (based on the total mass of active materials of 5.0 mg). Furthermore, the device showed an excellent charge/discharge cycling performance in 1.0 M KOH electrolyte at a current density of 5 mA cm-2, with a capacitance retention of 95% after 3000 cycles.

High energy density asymmetric supercapacitors with a nickel oxide nanoflake cathode and a 3D reduced graphene oxide anode.

PubMed

Luan, Feng; Wang, Gongming; Ling, Yichuan; Lu, Xihong; Wang, Hanyu; Tong, Yexiang; Liu, Xiao-Xia; Li, Yat

2013-09-07

Here we demonstrate a high energy density asymmetric supercapacitor with nickel oxide nanoflake arrays as the cathode and reduced graphene oxide as the anode. Nickel oxide nanoflake arrays were synthesized on a flexible carbon cloth substrate using a seed-mediated hydrothermal method. The reduced graphene oxide sheets were deposited on three-dimensional (3D) nickel foam by hydrothermal treatment of nickel foam in graphene oxide solution. The nanostructured electrodes provide a large effective surface area. The asymmetric supercapacitor device operates with a voltage of 1.7 V and achieved a remarkable areal capacitance of 248 mF cm(-2) (specific capacitance of 50 F g(-1)) at a charge/discharge current density of 1 mA cm(-2) and a maximum energy density of 39.9 W h kg(-1) (based on the total mass of active materials of 5.0 mg). Furthermore, the device showed an excellent charge/discharge cycling performance in 1.0 M KOH electrolyte at a current density of 5 mA cm(-2), with a capacitance retention of 95% after 3000 cycles.

Nickel-cadmium battery system for electric vehicles

NASA Astrophysics Data System (ADS)

Klein, M.; Charkey, A.

A nickel-cadmium battery system has been developed and is being evaluated for electric vehicle propulsion applications. The battery system design features include: (1) air circulation through gaps between cells for thermal management, (2) a metal-gas coulometric fuel gauge for state-of-charge and charge control, and (3) a modified constant current ac/dc power supply for the charger. The battery delivers one and a half to two times the energy density of comparable lead-acid batteries depending on operating conditions.

Advanced Electronic Technology.

DTIC Science & Technology

1978-11-15

nitride by band-to-band tunneling through the oxide, (2 ) pronounced field detrapping of charge in the nitride takes place , and (3) the VAP defect density...W/E operations - Charge carriers can escape from the fatigue state by back tunneling so that as IN~fl — (NI ) and LN~~J — [N~~J the short-term...in Vinyl Chloride 4843 Infrared Laser Photochem- T. F. Deutach Accepted by J. Cheni. Phys. istry of Silane 4852 Transve rse Modes in Gap- S. A

Dissimilarities of reduced density matrices and eigenstate thermalization hypothesis

NASA Astrophysics Data System (ADS)

He, Song; Lin, Feng-Li; Zhang, Jia-ju

2017-12-01

We calculate various quantities that characterize the dissimilarity of reduced density matrices for a short interval of length ℓ in a two-dimensional (2D) large central charge conformal field theory (CFT). These quantities include the Rényi entropy, entanglement entropy, relative entropy, Jensen-Shannon divergence, as well as the Schatten 2-norm and 4-norm. We adopt the method of operator product expansion of twist operators, and calculate the short interval expansion of these quantities up to order of ℓ9 for the contributions from the vacuum conformal family. The formal forms of these dissimilarity measures and the derived Fisher information metric from contributions of general operators are also given. As an application of the results, we use these dissimilarity measures to compare the excited and thermal states, and examine the eigenstate thermalization hypothesis (ETH) by showing how they behave in high temperature limit. This would help to understand how ETH in 2D CFT can be defined more precisely. We discuss the possibility that all the dissimilarity measures considered here vanish when comparing the reduced density matrices of an excited state and a generalized Gibbs ensemble thermal state. We also discuss ETH for a microcanonical ensemble thermal state in a 2D large central charge CFT, and find that it is approximately satisfied for a small subsystem and violated for a large subsystem.

Effect of Low Temperature on Charge Transport in Operational Planar and Mesoporous Perovskite Solar Cells.

PubMed

Petrović, Miloš; Ye, Tao; Chellappan, Vijila; Ramakrishna, Seeram

2017-12-13

Low-temperature optoelectrical studies of perovskite solar cells using MAPbI 3 and mixed-perovskite absorbers implemented into planar and mesoporous architectures reveal fundamental charge transporting properties in fully assembled devices operating under light bias. Both types of devices exhibit inverse correlation of charge carrier lifetime as a function of temperature, extending carrier lifetimes upon temperature reduction, especially after exposure to high optical biases. Contribution of bimolecular channels to the overall recombination process should not be overlooked because the density of generated charge surpasses trap-filling concentration requirements. Bimolecular charge recombination coefficient in both device types is smaller than Langevin theory prediction, and its mean value is independent of the applied illumination intensity. In planar devices, charge extraction declines upon MAPbI 3 transition from a tetragonal to an orthorhombic phase, indicating a connection between the trapping/detrapping mechanism and temperature. Studies on charge extraction by linearly increasing voltage further support this assertion, as charge carrier mobility dependence on temperature follows multiple-trapping predictions for both device structures. The monotonously increasing trend following the rise in temperature opposes the behavior observed in neat perovskite films and indicates the importance of transporting layers and the effect they have on charge transport in fully assembled solar cells. Low-temperature phase transition shows no pattern of influence on thermally activated electron/hole transport.

Development of a 1-m plasma source for heavy ion beam charge neutralization

NASA Astrophysics Data System (ADS)

Efthimion, Philip C.; Gilson, Erik P.; Grisham, Larry; Davidson, Ronald C.; Yu, Simon; Waldron, William; Grant Logan, B.

2005-05-01

Highly ionized plasmas are being employed as a medium for charge neutralizing heavy ion beams in order to focus to a small spot size. Calculations suggest that plasma at a density of 1-100 times the ion beam density and at a length ˜0.1-1 m would be suitable for achieving a high level of charge neutralization. A radio frequency (RF) source was constructed at the Princeton Plasma Physics Laboratory (PPPL) in support of the joint Neutralized Transport Experiment (NTX) at the Lawrence Berkeley National Laboratory (LBNL) to study ion beam neutralization. Pulsing the source enabled operation at pressures ˜10 -6 Torr with plasma densities of 10 11 cm -3. Near 100% ionization was achieved. The plasma was 10 cm in length, but future experiments require a source 1 m long. The RF source does not easily scale to the length. Consequently, large-volume plasma sources based upon ferroelectric ceramics are being considered. These sources have the advantage of being able to increase the length of the plasma and operate at low neutral pressures. The source will utilize the ferroelectric ceramic BaTiO 3 to form metal plasma. A 1 m long section of the drift tube inner surface of NTX will be covered with ceramic. A high voltage (˜1-5 kV) is applied between the drift tube and the front surface of the ceramic by placing a wire grid on the front surface. Plasma densities of 10 12 cm -3 and neutral pressures ˜10 -6 Torr are expected. A test stand to produce 20 cm long plasma is being constructed and will be tested before a 1 m long source is developed.

Magnetic field effects on charge structure factors of gapped graphene structure

NASA Astrophysics Data System (ADS)

Rezania, Hamed; Tawoose, Nasrin

2018-02-01

We present the behaviors of dynamical and static charge susceptibilities of undoped gapped graphene using the Green's function approach in the context of tight binding model Hamiltonian. Specially, the effects of magnetic field on the plasmon modes of gapped graphene structure are investigated via calculating correlation function of charge density operators. Our results show the increase of magnetic field leads to disappear high frequency plasmon mode for gapped case. We also show that low frequency plasmon mode has not affected by increase of magnetic field and chemical potential. Finally the temperature dependence of static charge structure factor of gapp graphene structure is studied. The effects of both magnetic field and gap parameter on the static structure factor are discusses in details.

High energy density battery based on complex hydrides

DOEpatents

Zidan, Ragaiy

2016-04-26

A battery and process of operating a battery system is provided using high hydrogen capacity complex hydrides in an organic non-aqueous solvent that allows the transport of hydride ions such as AlH.sub.4.sup.- and metal ions during respective discharging and charging steps.

Space Weather Impacts on Spacecraft Design and Operations in Auroral Charging Environments

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Parker, Linda N.

2012-01-01

Spacecraft in low altitude, high inclination (including sun-synchronous) orbits are widely used for remote sensing of the Earth s land surface and oceans, monitoring weather and climate, communications, scientific studies of the upper atmosphere and ionosphere, and a variety of other scientific, commercial, and military applications. These systems are episodically exposed to environments characterized by a high flux of energetic (approx.1 to 10 s kilovolt) electrons in regions of very low background plasma density which is similar in some ways to the space weather conditions in geostationary orbit responsible for spacecraft charging to kilovolt levels. While it is well established that charging conditions in geostationary orbit are responsible for many anomalies and even spacecraft failures, to date there have been relatively few such reports due to charging in auroral environments. This presentation first reviews the physics of the space environment and its interactions with spacecraft materials that control auroral charging rates and the anticipated maximum potentials that should be observed on spacecraft surfaces during disturbed space weather conditions. We then describe how the theoretical values compare to the observational history of extreme charging in auroral environments and discuss how space weather impacts both spacecraft design and operations for vehicles on orbital trajectories that traverse auroral charging environments.

Numerical Simulations of Spacecraft Charging: Selected Applications

NASA Astrophysics Data System (ADS)

Moulton, J. D.; Delzanno, G. L.; Meierbachtol, C.; Svyatskiy, D.; Vernon, L.; Borovsky, J.; Thomsen, M. F.

2016-12-01

The electrical charging of spacecraft due to bombarding charged particles affects their performance and operation. We study this charging using CPIC, a particle-in-cell code specifically designed for studying plasma-material interactions. CPIC is based on multi-block curvilinear meshes, resulting in near-optimal computational performance while maintaining geometric accuracy. It is interfaced to a mesh generator that creates a computational mesh conforming to complex objects like a spacecraft. Relevant plasma parameters can be imported from the SHIELDS framework (currently under development at LANL), which simulates geomagnetic storms and substorms in the Earth's magnetosphere. Selected physics results will be presented, together with an overview of the code. The physics results include spacecraft-charging simulations with geometry representative of the Van Allen Probes spacecraft, focusing on the conditions that can lead to significant spacecraft charging events. Second, results from a recent study that investigates the conditions for which a high-power (>keV) electron beam could be emitted from a magnetospheric spacecraft will be presented. The latter study proposes a spacecraft-charging mitigation strategy based on the plasma contactor technology that might allow beam experiments to operate in the low-density magnetosphere. High-power electron beams could be used for instance to establish magnetic-field-line connectivity between ionosphere and magnetosphere and help solving long-standing questions in ionospheric/magnetospheric physics.

Current-voltage characteristics influenced by the nanochannel diameter and surface charge density in a fluidic field-effect-transistor.

PubMed

Singh, Kunwar Pal; Guo, Chunlei

2017-06-21

The nanochannel diameter and surface charge density have a significant impact on current-voltage characteristics in a nanofluidic transistor. We have simulated the effect of the channel diameter and surface charge density on current-voltage characteristics of a fluidic nanochannel with positive surface charge on its walls and a gate electrode on its surface. Anion depletion/enrichment leads to a decrease/increase in ion current with gate potential. The ion current tends to increase linearly with gate potential for narrow channels at high surface charge densities and narrow channels are more effective to control the ion current at high surface charge densities. The current-voltage characteristics are highly nonlinear for wide channels at low surface charge densities and they show different regions of current change with gate potential. The ion current decreases with gate potential after attaining a peak value for wide channels at low values of surface charge densities. At low surface charge densities, the ion current can be controlled by a narrow range of gate potentials for wide channels. The current change with source drain voltage shows ohmic, limiting and overlimiting regions.

Spectroscopic determination of the composition of a 50 kV hydrogen diagnostic neutral beam

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

Feng, X.; Nornberg, M. D., E-mail: mdnornberg@wisc.edu; Den Hartog, D. J.

2016-11-15

A grating spectrometer with an electron multiplying charge-coupled device camera is used to diagnose a 50 kV, 5 A, 20 ms hydrogen diagnostic neutral beam. The ion source density is determined from Stark broadened H{sub β} emission and the spectrum of Doppler-shifted H{sub α} emission is used to quantify the fraction of ions at full, half, and one-third beam energy under a variety of operating conditions including fueling gas pressure and arc discharge current. Beam current is optimized at low-density conditions in the ion source while the energy fractions are found to be steady over most operating conditions.

Extreme Spacecraft Charging in Polar Low Earth Orbit

NASA Technical Reports Server (NTRS)

Colson, Andrew D.; Minow, Joseph I.; Parker, L. Neergaard

2012-01-01

Spacecraft in low altitude, high inclination (including sun -synchronous) orbits are widely used for remote sensing of the Earth fs land surface and oceans, monitoring weather and climate, communications, scientific studies of the upper atmosphere and ionosphere, and a variety of other scientific, commercial, and military applications. These systems episodically charge to frame potentials in the kilovolt range when exposed to space weather environments characterized by a high flux of energetic (approx.10 fs kilovolt) electrons in regions of low background plasma density. Auroral charging conditions are similar in some ways to the space weather conditions in geostationary orbit responsible for spacecraft charging to kilovolt levels. We first review the physics of space environment interactions with spacecraft materials that control auroral charging rates and the anticipated maximum potentials that should be observed on spacecraft surfaces during disturbed space weather conditions. We then describe how the theoretical values compare to the observational history of extreme charging in auroral environments. Finally, a set of extreme DMSP charging events are described varying in maximum negative frame potential from approx.0.6 kV to approx.2 kV, focusing on the characteristics of the charging events that are of importance both to the space system designer and to spacecraft operators. The goal of the presentation is to bridge the gap between scientific studies of auroral charging and the need for engineering teams to understand how space weather impacts both spacecraft design and operations for vehicles on orbital trajectories that traverse auroral charging environments.

Modulating the fixed charge density in silicon nitride films while monitoring the surface recombination velocity by photoluminescence imaging

NASA Astrophysics Data System (ADS)

Bazilchuk, Molly; Haug, Halvard; Marstein, Erik Stensrud

2015-04-01

Several important semiconductor devices such as solar cells and photodetectors may be fabricated based on surface inversion layer junctions induced by fixed charge in a dielectric layer. Inversion layer junctions can easily be fabricated by depositing layers with a high density of fixed charge on a semiconducting substrate. Increasing the fixed charge improves such devices; for instance, the efficiency of a solar cell can be substantially increased by reducing the surface recombination velocity, which is a function of the fixed charge density. Methods for increasing the charge density are therefore of interest. In this work, the fixed charge density in silicon nitride layers deposited by plasma enhanced chemical vapor deposition is increased to very high values above 1 × 1013 cm-2 after the application of an external voltage to a gate electrode. The effect of the fixed charge density on the surface recombination velocity was experimentally observed using the combination of capacitance-voltage characterization and photoluminescence imaging, showing a significant reduction in the surface recombination velocity for increasing charge density. The surface recombination velocity vs. charge density data was analyzed using a numerical device model, which indicated the presence of a sub-surface damage region formed during deposition of the layers. Finally, we have demonstrated that the aluminum electrodes used for charge injection may be chemically removed in phosphoric acid without loss of the underlying charge. The injected charge was shown to be stable for a prolonged time period, leading us to propose charge injection in silicon nitride films by application of soaking voltage as a viable method for fabricating inversion layer devices.

Simulation of stationary glow patterns in dielectric barrier discharges at atmospheric pressure

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

Liu, Fucheng, E-mail: hdlfc@hbu.cn; He, Yafeng; Dong, Lifang

2014-12-15

Self-organized stationary patterns in dielectric barrier discharges operating in glow regime at atmospheric pressure are investigated by a self-consistent two-dimensional fluid model. The simulation results show that two different modes, namely, the diffuse mode and the static patterned mode, can be formed in different ranges of the driving frequency. The discharge operates in Townsend regime in the diffuse mode, while it operates in a glow regime inside the filaments and in a Townsend regime outside the filaments in the stable pattered mode. The forming process of the stationary filaments can be divided into three stages, namely, destabilizing stage, self-assembling stage,more » and stable stage. The space charge associated with residual electron density and surface charge is responsible for the formation of these stationary glow patterns.« less

Wigner functions for fermions in strong magnetic fields

NASA Astrophysics Data System (ADS)

Sheng, Xin-li; Rischke, Dirk H.; Vasak, David; Wang, Qun

2018-02-01

We compute the covariant Wigner function for spin-(1/2) fermions in an arbitrarily strong magnetic field by exactly solving the Dirac equation at non-zero fermion-number and chiral-charge densities. The Landau energy levels as well as a set of orthonormal eigenfunctions are found as solutions of the Dirac equation. With these orthonormal eigenfunctions we construct the fermion field operators and the corresponding Wigner-function operator. The Wigner function is obtained by taking the ensemble average of the Wigner-function operator in global thermodynamical equilibrium, i.e., at constant temperature T and non-zero fermion-number and chiral-charge chemical potentials μ and μ_5, respectively. Extracting the vector and axial-vector components of the Wigner function, we reproduce the currents of the chiral magnetic and separation effect in an arbitrarily strong magnetic field.

Method for Estimating the Charge Density Distribution on a Dielectric Surface.

PubMed

Nakashima, Takuya; Suhara, Hiroyuki; Murata, Hidekazu; Shimoyama, Hiroshi

2017-06-01

High-quality color output from digital photocopiers and laser printers is in strong demand, motivating attempts to achieve fine dot reproducibility and stability. The resolution of a digital photocopier depends on the charge density distribution on the organic photoconductor surface; however, directly measuring the charge density distribution is impossible. In this study, we propose a new electron optical instrument that can rapidly measure the electrostatic latent image on an organic photoconductor surface, which is a dielectric surface, as well as a novel method to quantitatively estimate the charge density distribution on a dielectric surface by combining experimental data obtained from the apparatus via a computer simulation. In the computer simulation, an improved three-dimensional boundary charge density method (BCM) is used for electric field analysis in the vicinity of the dielectric material with a charge density distribution. This method enables us to estimate the profile and quantity of the charge density distribution on a dielectric surface with a resolution of the order of microns. Furthermore, the surface potential on the dielectric surface can be immediately calculated using the obtained charge density. This method enables the relation between the charge pattern on the organic photoconductor surface and toner particle behavior to be studied; an understanding regarding the same may lead to the development of a new generation of higher resolution photocopiers.

On the exchange-hole model of London dispersion forces

NASA Astrophysics Data System (ADS)

Ángyán, János G.

2007-07-01

First-principles derivation is given for the heuristic exchange-hole model of London dispersion forces by Becke and Johnson [J. Chem. Phys. 122, 154104 (2005)]. A one-term approximation is used for the dynamic charge density response function, and it is shown that a central nonempirical ingredient of the approximate nonexpanded dispersion energy is the charge density autocorrelation function, a two-particle property, related to the exchange-correlation hole. In the framework of a dipolar approximation of the Coulomb interaction around the molecular origin, one obtains the so-called Salem-Tang-Karplus approximation to the C6 dispersion coefficient. Alternatively, by expanding the Coulomb interaction around the center of charge (centroid) of the exchange-correlation hole associated with each point in the molecular volume, a multicenter expansion is obtained around the centroids of electron localization domains, always in terms of the exchange-correlation hole. In order to get a formula analogous to that of Becke and Johnson, which involves the exchange-hole only, further assumptions are needed, related to the difficulties of obtaining the expectation value of a two-electron operator from a single determinant. Thus a connection could be established between the conventional fluctuating charge density model of London dispersion forces and the notion of the "exchange-hole dipole moment" shedding some light on the true nature of the approximations implicit in the Becke-Johnson model.

Complexation of ferric oxide particles with pectins of different charge density.

PubMed

Milkova, Viktoria; Kamburova, Kamelia; Petkanchin, Ivana; Radeva, Tsetska

2008-09-02

The effect of polyelectrolyte charge density on the electrical properties and stability of suspensions of oppositely charged oxide particles is followed by means of electro-optics and electrophoresis. Variations in the electro-optical effect and the electrophoretic mobility are examined at conditions where fully ionized pectins of different charge density adsorb onto particles with ionizable surfaces. The charge neutralization point coincides with the maximum of particle aggregation in all suspensions. We find that the concentration of polyelectrolyte, needed to neutralize the particle charge, decreases with increasing charge density of the pectin. The most highly charged pectin presents an exception to this order, which is explained with a reduction of the effective charge density of this pectin due to condensation of counterions. The presence of condensed counterions, remaining bound to the pectin during its adsorption on the particle surface, is proved by investigation of the frequency behavior of the electro-optical effect at charge reversal of the particle surface.

Charge Transport Properties in Disordered Organic Semiconductor as a Function of Charge Density: Monte Carlo Simulation

NASA Astrophysics Data System (ADS)

Shukri, Seyfan Kelil

2017-01-01

We have done Kinetic Monte Carlo (KMC) simulations to investigate the effect of charge carrier density on the electrical conductivity and carrier mobility in disordered organic semiconductors using a lattice model. The density of state (DOS) of the system are considered to be Gaussian and exponential. Our simulations reveal that the mobility of the charge carrier increases with charge carrier density for both DOSs. In contrast, the mobility of charge carriers decreases as the disorder increases. In addition the shape of the DOS has a significance effect on the charge transport properties as a function of density which are clearly seen. On the other hand, for the same distribution width and at low carrier density, the change occurred on the conductivity and mobility for a Gaussian DOS is more pronounced than that for the exponential DOS.

A method to estimate statistical errors of properties derived from charge-density modelling

PubMed Central

Lecomte, Claude

2018-01-01

Estimating uncertainties of property values derived from a charge-density model is not straightforward. A methodology, based on calculation of sample standard deviations (SSD) of properties using randomly deviating charge-density models, is proposed with the MoPro software. The parameter shifts applied in the deviating models are generated in order to respect the variance–covariance matrix issued from the least-squares refinement. This ‘SSD methodology’ procedure can be applied to estimate uncertainties of any property related to a charge-density model obtained by least-squares fitting. This includes topological properties such as critical point coordinates, electron density, Laplacian and ellipticity at critical points and charges integrated over atomic basins. Errors on electrostatic potentials and interaction energies are also available now through this procedure. The method is exemplified with the charge density of compound (E)-5-phenylpent-1-enylboronic acid, refined at 0.45 Å resolution. The procedure is implemented in the freely available MoPro program dedicated to charge-density refinement and modelling. PMID:29724964

Light-front representation of chiral dynamics in peripheral transverse densities

DOE PAGES

Granados, Carlos G.; Weiss, Christian

2015-07-31

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

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

Reed, David M.; Thomsen, Edwin C.; Wang, Wei

Three Nafion membranes of similar composition but different thicknesses were operated in a 3-cell 1kW class all vanadium mixed acid redox flow battery. The influence of current density on the charge/discharge characteristics, coulombic and energy efficiency, capacity fade, operating temperature and pressure drop in the flow circuit will be discussed and correlated to the Nafion membrane thickness. Material costs associated with the Nafion membranes, ease of handling the membranes, and performance impacts will also be discussed.

Effect of ion compensation of the beam space charge on gyrotron operation

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

Fokin, A. P.; Glyavin, M. Yu.; Nusinovich, G. S.

In gyrotrons, the coherent radiation of electromagnetic waves takes place when the cyclotron resonance condition between the wave frequency and the electron cyclotron frequency or its harmonic holds. The voltage depression caused by the beam space charge field changes the relativistic cyclotron frequency and, hence, can play an important role in the beam-wave interaction process. In long pulse and continuous-wave regimes, the beam space charge field can be partially compensated by the ions, which appear due to the beam impact ionization of neutral molecules of residual gases in the interaction space. In the present paper, the role of this ionmore » compensation of the beam space charge on the interaction efficiency is analyzed. We also analyze the effect of the electron velocity spread on the limiting currents and discuss some effects restricting the ion-to-beam electron density ratio in the saturation stage. It is shown that the effect of the ion compensation on the voltage depression caused by the beam space charge field can cause significant changes in the efficiency of gyrotron operation and, in some cases, even result in the break of oscillations.« less

Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

NASA Astrophysics Data System (ADS)

Zhou, S.

2017-12-01

Using Monte Carlo results as a reference, a classical density functional theory ( CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson-Boltzmann ( PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force ( EPMF) between two face-face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of the salt ion; whereas if the 1:1 type electrolyte and the symmetrical patterns are considered, then the opposite may be the case. All of these findings can be explained self-consistently from several perspectives: an excess adsorption of the salt ions (induced by the surface charge separation) serving to raise the osmotic pressure between the plates, configuration fine-tuning in the thinner ion adsorption layer driven by the energy decrease principle, direct Coulombic interactions operating between charged objects on the two face-to-face plates involved, and net charge strength in the ion adsorption layer responsible for the net electrostatic repulsion.

The influence of surfaces on the transient terahertz conductivity and electron mobility of GaAs nanowires

NASA Astrophysics Data System (ADS)

Joyce, Hannah J.; Baig, Sarwat A.; Parkinson, Patrick; Davies, Christopher L.; Boland, Jessica L.; Tan, H. Hoe; Jagadish, Chennupati; Herz, Laura M.; Johnston, Michael B.

2017-06-01

Bare unpassivated GaAs nanowires feature relatively high electron mobilities (400-2100 cm2 V-1 s-1) and ultrashort charge carrier lifetimes (1-5 ps) at room temperature. These two properties are highly desirable for high speed optoelectronic devices, including photoreceivers, modulators and switches operating at microwave and terahertz frequencies. When engineering these GaAs nanowire-based devices, it is important to have a quantitative understanding of how the charge carrier mobility and lifetime can be tuned. Here we use optical-pump-terahertz-probe spectroscopy to quantify how mobility and lifetime depend on the nanowire surfaces and on carrier density in unpassivated GaAs nanowires. We also present two alternative frameworks for the analysis of nanowire photoconductivity: one based on plasmon resonance and the other based on Maxwell-Garnett effective medium theory with the nanowires modelled as prolate ellipsoids. We find the electron mobility decreases significantly with decreasing nanowire diameter, as charge carriers experience increased scattering at nanowire surfaces. Reducing the diameter from 50 nm to 30 nm degrades the electron mobility by up to 47%. Photoconductivity dynamics were dominated by trapping at saturable states existing at the nanowire surface, and the trapping rate was highest for the nanowires of narrowest diameter. The maximum surface recombination velocity, which occurs in the limit of all traps being empty, was calculated as 1.3  ×  106 cm s-1. We note that when selecting the optimum nanowire diameter for an ultrafast device, there is a trade-off between achieving a short lifetime and a high carrier mobility. To achieve high speed GaAs nanowire devices featuring the highest charge carrier mobilities and shortest lifetimes, we recommend operating the devices at low charge carrier densities.

Harvesting the decay energy of 26Al to drive lightning discharge in protoplanetary discs

NASA Astrophysics Data System (ADS)

Johansen, Anders; Okuzumi, Satoshi

2018-01-01

Chondrules in primitive meteorites likely formed by recrystallisation of dust aggregates that were flash-heated to nearly complete melting. Chondrules may represent the building blocks of rocky planetesimals and protoplanets in the inner regions of protoplanetary discs, but the source of ubiquitous thermal processing of their dust aggregate precursors remains elusive. Here we demonstrate that escape of positrons released in the decay of the short-lived radionuclide 26Al leads to a large-scale charging of dense pebble structures, resulting in neutralisation by lightning discharge and flash-heating of dust and pebbles. This charging mechanism is similar to a nuclear battery where a radioactive source charges a capacitor. We show that the nuclear battery effect operates in circumplanetesimal pebble discs. The extremely high pebble densities in such discs are consistent with conditions during chondrule heating inferred from the high abundance of sodium within chondrules. The sedimented mid-plane layer of the protoplanetary disc may also be prone to charging by the emission of positrons, if the mass density of small dust there is at least an order of magnitude above the gas density. Our results imply that the decay energy of 26Al can be harvested to drive intense lightning activity in protoplanetary discs. The total energy stored in positron emission is comparable to the energy needed to melt all solids in the protoplanetary disc. The efficiency of transferring the positron energy to the electric field nevertheless depends on the relatively unknown distribution and scale-dependence of pebble density gradients in circumplanetesimal pebble discs and in the protoplanetary disc mid-plane layer.

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

Snyder, L.; Manning, B.; Bowden, N. S.

The MICROMEGAS (MICRO-MEsh GAseous Structure) charge amplification structure has found wide use in many detection applications, especially as a gain stage for the charge readout of Time Projection Chambers (TPCs). We report on the behavior of a MICROMEGAS TPC when operated in a high-energy (up to 800 MeV) neutron beam. It is found that neutron-induced reactions can cause discharges in some drift gas mixtures that are stable in the absence of the neutron beam. The discharges result from recoil ions close to the MICROMEGAS that deposit high specific ionization density and have a limited diffusion time. And for a binarymore » drift gas, increasing the percentage of the molecular component (quench gas) relative to the noble component and operating at lower pressures generally improves stability.« less

Extreme Spacecraft Charging in Polar Low Earth Orbit

NASA Technical Reports Server (NTRS)

Colson, Andrew D.; Minow, Joseph I.; NeergaardParker, Linda

2012-01-01

Spacecraft in low altitude, high inclination (including sun-synchronous) orbits are widely used for remote sensing of the Earth's land surface and oceans, monitoring weather and climate, communications, scientific studies of the upper atmosphere and ionosphere, and a variety of other scientific, commercial, and military applications. These systems episodically charge to frame potentials in the kilovolt range when exposed to space weather environments characterized by a high flux of energetic (10 s kilovolt) electrons in regions of low background plasma density which is similar in some ways to the space weather conditions in geostationary orbit responsible for spacecraft charging to kilovolt levels. We first review the physics of space environment interactions with spacecraft materials that control auroral charging rates and the anticipated maximum potentials that should be observed on spacecraft surfaces during disturbed space weather conditions. We then describe how the theoretical values compare to the observational history of extreme charging in auroral environments. Finally, a set of extreme DMSP charging events are described varying in maximum negative frame potential from 0.6 kV to 2 kV, focusing on the characteristics of the charging events that are of importance both to the space system designer and to spacecraft operators. The goal of the presentation is to bridge the gap between scientific studies of auroral charging and the need for engineering teams to understand how space weather impacts both spacecraft design and operations for vehicles on orbital trajectories that traverse auroral charging environments.

On the equilibrium charge density at tilt grain boundaries

NASA Astrophysics Data System (ADS)

Srikant, V.; Clarke, D. R.

1998-05-01

The equilibrium charge density and free energy of tilt grain boundaries as a function of their misorientation is computed using a Monte Carlo simulation that takes into account both the electrostatic and configurational energies associated with charges at the grain boundary. The computed equilibrium charge density increases with the grain-boundary angle and approaches a saturation value. The equilibrium charge density at large-angle grain boundaries compares well with experimental values for large-angle tilt boundaries in GaAs. The computed grain-boundary electrostatic energy is in agreement with the analytical solution to a one-dimensional Poisson equation at high donor densities but indicates that the analytical solution overestimates the electrostatic energy at lower donor densities.

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

Peripheral transverse densities of the baryon octet from chiral effective field theory and dispersion analysis

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

Alarcón, J. M.; Hiller Blin, A. N.; Vicente Vacas, M. J.

2017-05-08

The baryon electromagnetic form factors are expressed in terms of two-dimensional densities describing the distribution of charge and magnetization in transverse space at fixed light-front time. In this paper, we calculate the transverse densities of the spin-1/2 flavor-octet baryons at peripheral distances b=O(Mmore » $$-1\\atop{π}$$) using methods of relativistic chiral effective field theory (χ EFT) and dispersion analysis. The densities are represented as dispersive integrals over the imaginary parts of the form factors in the timelike region (spectral functions). The isovector spectral functions on the two-pion cut t > 4 M$$2\\atop{π}$$ are calculated using relativistic χEFT including octet and decuplet baryons. The χEFT calculations are extended into the ρ meson mass region using an N/D method that incorporates the pion electromagnetic form factor data. The isoscalar spectral functions are modeled by vector meson poles. We compute the peripheral charge and magnetization densities in the octet baryon states, estimate the uncertainties, and determine the quark flavor decomposition. Finally, the approach can be extended to baryon form factors of other operators and the moments of generalized parton distributions.« less

High-Energy-Density Electrolytic Capacitors

NASA Technical Reports Server (NTRS)

Yen, Shiao-Ping S.; Lewis, Carol R.

1993-01-01

Reductions in weight and volume make new application possible. Supercapacitors and improved ultracapacitors advanced electrolytic capacitors developed for use as electric-load-leveling devices in such applications as electric vehicle propulsion systems, portable power tools, and low-voltage pulsed power supplies. One primary advantage: offer power densities much higher than storage batteries. Capacitors used in pulse mode, with short charge and discharge times. Derived from commercially available ultracapacitors. Made of lightweight materials; incorporate electrode/electrolyte material systems capable of operation at voltages higher than previous electrode/electrolyte systems. By use of innovative designs and manufacturing processes, made in wide range of rated capacitances and in rated operating potentials ranging from few to several hundred volts.

Survey of International Space Station Charging Events

NASA Technical Reports Server (NTRS)

Craven, P. D.; Wright, Kenneth H., Jr.; Minow, Joseph I.; Coffey, Victoria N.; Schneider, Todd A.; Vaughn, Jason A.; Ferguson, Dale C.; Parker, Linda N.

2009-01-01

With the negative grounding of the 160V Photovoltaic (PV) arrays, the International Space Station (ISS) can experience varied and interesting charging events. Since August 2006, there has been a multi-probe p ackage, called the Floating Potential Measurement Unit (FPMU), availa ble to provide redundant measurements of the floating potential of th e ISS as well as the density and temperature of the local plasma environment. The FPMU has been operated during intermittent data campaigns since August 2006 and has collected over 160 days of information reg arding the charging of the ISS as it has progressed in configuration from one to three PV arrays and with various additional modules such as the European Space Agency?s Columbus laboratory and the Japan Aeros pace Exploration Agency's Kibo laboratory. This paper summarizes the charging of the ISS and the local environmental conditions that contr ibute to those charging events, both as measured by the FPMU.

Quantitative Analysis of Charge Injection and Discharging of Si Nanocrystals and Arrays by Electrostatic Force Microscopy

NASA Technical Reports Server (NTRS)

Bell, L. D.; Boer, E.; Ostraat, M.; Brongersma, M. L.; Flagan, R. C.; Atwater, H. A.

2000-01-01

NASA requirements for computing and memory for microspacecraft emphasize high density, low power, small size, and radiation hardness. The distributed nature of storage elements in nanocrystal floating-gate memories leads to intrinsic fault tolerance and radiation hardness. Conventional floating-gate non-volatile memories are more susceptible to radiation damage. Nanocrystal-based memories also offer the possibility of faster, lower power operation. In the pursuit of filling these requirements, the following tasks have been accomplished: (1) Si nanocrystal charging has been accomplished with conducting-tip AFM; (2) Both individual nanocrystals on an oxide surface and nanocrystals formed by implantation have been charged; (3) Discharging is consistent with tunneling through a field-lowered oxide barrier; (4) Modeling of the response of the AFM to trapped charge has allowed estimation of the quantity of trapped charge; and (5) Initial attempts to fabricate competitive nanocrystal non-volatile memories have been extremely successful.

Correlation of ISS Electric Potential Variations with Mission Operations

NASA Technical Reports Server (NTRS)

Willis, Emily M.; Minow, Joseph I.; Parker, Linda Neergaard

2014-01-01

Orbiting approximately 400 km above the Earth, the International Space Station (ISS) is a unique research laboratory used to conduct ground-breaking science experiments in space. The ISS has eight Solar Array Wings (SAW), and each wing is 11.7 meters wide and 35.1 meters long. The SAWs are controlled individually to maximize power output, minimize stress to the ISS structure, and minimize interference with other ISS operations such as vehicle dockings and Extra-Vehicular Activities (EVA). The Solar Arrays are designed to operate at 160 Volts. These large, high power solar arrays are negatively grounded to the ISS and collect charged particles (predominately electrons) as they travel through the space plasma in the Earth's ionosphere. If not controlled, this collected charge causes floating potential variations which can result in arcing, causing injury to the crew during an EVA or damage to hardware [1]. The environmental catalysts for ISS floating potential variations include plasma density and temperature fluctuations and magnetic induction from the Earth's magnetic field. These alone are not enough to cause concern for ISS, but when they are coupled with the large positive potential on the solar arrays, floating potentials up to negative 95 Volts have been observed. Our goal is to differentiate the operationally induced fluctuations in floating potentials from the environmental causes. Differentiating will help to determine what charging can be controlled, and we can then design the proper operations controls for charge collection mitigation. Additionally, the knowledge of how high power solar arrays interact with the environment and what regulations or design techniques can be employed to minimize charging impacts can be applied to future programs.

Satellite Anomalies: Benefits of a Centralized Anomaly Database and Methods for Securely Sharing Information Among Satellite Operators

DTIC Science & Technology

2014-01-01

unprecedented efficiencies in global busi- ness collaboration through communication, information distribution, and fast electronic monetary transactions...tudes (which peaks in free electron density at 300–400 km but extends to just above 1,000 km). At GEO, surface charging occurs intermit - tently

A high-current electron gun for the electron beam ion trap at the National Superconducting Cyclotron Laboratory.

PubMed

Schwarz, S; Baumann, T M; Kittimanapun, K; Lapierre, A; Snyder, A

2014-02-01

The Electron Beam Ion Trap (EBIT) in NSCL's reaccelerator ReA uses continuous ion injection and accumulation. In order to maximize capture efficiency and minimize breeding time into high charge states, the EBIT requires a high-current/high current-density electron beam. A new electron gun insert based on a concave Ba-dispenser cathode has been designed and built to increase the current transmitted through the EBIT's superconducting magnet. With the new insert, stable EBIT operating conditions with 0.8 A of electron beam have been established. The design of the electron gun is presented together with calculated and measured perveance data. In order to assess the experimental compression of the electron beam, a pinhole CCD camera has been set up to measure the electron beam radius. The camera observes X-rays emitted from highly charged ions, excited by the electron beam. Initial tests with this camera setup will be presented. They indicate that a current density of 640 A/cm(2) has been reached when the EBIT magnet was operated at 4 T.

A high-current electron gun for the electron beam ion trap at the National Superconducting Cyclotron Laboratory

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

Schwarz, S., E-mail: schwarz@nscl.msu.edu; Baumann, T. M.; Kittimanapun, K.

The Electron Beam Ion Trap (EBIT) in NSCL’s reaccelerator ReA uses continuous ion injection and accumulation. In order to maximize capture efficiency and minimize breeding time into high charge states, the EBIT requires a high-current/high current-density electron beam. A new electron gun insert based on a concave Ba-dispenser cathode has been designed and built to increase the current transmitted through the EBIT’s superconducting magnet. With the new insert, stable EBIT operating conditions with 0.8 A of electron beam have been established. The design of the electron gun is presented together with calculated and measured perveance data. In order to assessmore » the experimental compression of the electron beam, a pinhole CCD camera has been set up to measure the electron beam radius. The camera observes X-rays emitted from highly charged ions, excited by the electron beam. Initial tests with this camera setup will be presented. They indicate that a current density of 640 A/cm{sup 2} has been reached when the EBIT magnet was operated at 4 T.« less

Effects of low-temperature (120 °C) annealing on the carrier concentration and trap density in amorphous indium gallium zinc oxide thin film transistors

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

Kim, Jae-sung; Piao, Mingxing; Jang, Ho-Kyun

2014-12-28

We report an investigation of the effects of low-temperature annealing on the electrical properties of amorphous indium gallium zinc oxide (a-IGZO) thin-film transistors (TFTs). X-ray photoelectron spectroscopy was used to characterize the charge carrier concentration, which is related to the density of oxygen vacancies. The field-effect mobility was found to decrease as a function of the charge carrier concentration, owing to the presence of band-tail states. By employing the transmission line method, we show that the contact resistance did not significantly contribute to the changes in device performance after annealing. In addition, using low-frequency noise analyses, we found that themore » trap density decreased by a factor of 10 following annealing at 120 °C. The switching operation and on/off ratio of the a-IGZO TFTs improved considerably after low-temperature annealing.« less

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

PubMed

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

Charge-density study on layered oxyarsenides (LaO)MAs (M = Mn, Fe, Ni, Zn)

NASA Astrophysics Data System (ADS)

Takase, Kouichi; Hiramoto, Shozo; Fukushima, Tetsuya; Sato, Kazunori; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

2017-12-01

Using synchrotron X-ray powder diffraction, we investigate the charge-density distributions of the layered oxypnictides (LaO)MnAs, (LaO)FeAs, (LaO)NiAs, and (LaO)ZnAs, which are an antiferromagnetic semiconductor, a parent material of an iron-based superconductor, a low-temperature superconductor, and a non-magnetic semiconductor, respectively. For the metallic samples, clear charge densities are observed in both the transition-metal pnictide layers and the rare-earth-oxide layers. However, in the semiconducting samples, there is no finite charge density between the transition-metal element and As. These differences in charge density reflect differences in physical properties. First-principles calculations using density functional theory reproduce the experimental results reasonably well.

Development and Application of a Wireless Sensor for Space Charge Density Measurement in an Ultra-High-Voltage, Direct-Current Environment

PubMed Central

Xin, Encheng; Ju, Yong; Yuan, Haiwen

2016-01-01

A space charge density wireless measurement system based on the idea of distributed measurement is proposed for collecting and monitoring the space charge density in an ultra-high-voltage direct-current (UHVDC) environment. The proposed system architecture is composed of a number of wireless nodes connected with space charge density sensors and a base station. The space charge density sensor based on atmospheric ion counter method is elaborated and developed, and the ARM microprocessor and Zigbee radio frequency module are applied. The wireless network communication quality and the relationship between energy consumption and transmission distance in the complicated electromagnetic environment is tested. Based on the experimental results, the proposed measurement system demonstrates that it can adapt to the complex electromagnetic environment under the UHVDC transmission lines and can accurately measure the space charge density. PMID:27775627

Development and Application of a Wireless Sensor for Space Charge Density Measurement in an Ultra-High-Voltage, Direct-Current Environment.

PubMed

Xin, Encheng; Ju, Yong; Yuan, Haiwen

2016-10-20

A space charge density wireless measurement system based on the idea of distributed measurement is proposed for collecting and monitoring the space charge density in an ultra-high-voltage direct-current (UHVDC) environment. The proposed system architecture is composed of a number of wireless nodes connected with space charge density sensors and a base station. The space charge density sensor based on atmospheric ion counter method is elaborated and developed, and the ARM microprocessor and Zigbee radio frequency module are applied. The wireless network communication quality and the relationship between energy consumption and transmission distance in the complicated electromagnetic environment is tested. Based on the experimental results, the proposed measurement system demonstrates that it can adapt to the complex electromagnetic environment under the UHVDC transmission lines and can accurately measure the space charge density.

Simulation of Space Charge Dynamic in Polyethylene Under DC Continuous Electrical Stress

NASA Astrophysics Data System (ADS)

Boukhari, Hamed; Rogti, Fatiha

2016-10-01

The space charge dynamic plays a very important role in the aging and breakdown of polymeric insulation materials under high voltage. This is due to the intensification of the local electric field and the attendant chemical-mechanical effects in the vicinity around the trapped charge. In this paper, we have investigated the space charge dynamic in low-density polyethylene under high direct-current voltage, which is evaluated by experimental conditions. The evaluation is on the basis of simulation using a bipolar charge transport model consisting of charge injection, transports, trapping, detrapping, and recombination phenomena. The theoretical formulation of the physical problem is based on the Poisson, the continuity, and the transport equations. Numerical results provide temporal and local distributions of the electric field, the space charge density for the different kinds of charges (net charge density, mobile and trapped of electron density, mobile hole density), conduction and displacement current densities, and the external current. The result shows the appearance of the negative packet-like space charge with a large amount of the bulk under the dc electric field of 100 kV/mm, and the induced distortion of the electric field is largely near to the anode, about 39% higher than the initial electric field applied.

Quantification of surface charge density and its effect on boundary slip.

PubMed

Jing, Dalei; Bhushan, Bharat

2013-06-11

Reduction of fluid drag is important in the micro-/nanofluidic systems. Surface charge and boundary slip can affect the fluid drag, and surface charge is also believed to affect boundary slip. The quantification of surface charge and boundary slip at a solid-liquid interface has been widely studied, but there is a lack of understanding of the effect of surface charge on boundary slip. In this paper, the surface charge density of borosilicate glass and octadecyltrichlorosilane (OTS) surfaces immersed in saline solutions with two ionic concentrations and deionized (DI) water with different pH values and electric field values is quantified by fitting experimental atomic force microscopy (AFM) electrostatic force data using a theoretical model relating the surface charge density and electrostatic force. Results show that pH and electric field can affect the surface charge density of glass and OTS surfaces immersed in saline solutions and DI water. The mechanisms of the effect of pH and electric field on the surface charge density are discussed. The slip length of the OTS surface immersed in saline solutions with two ionic concentrations and DI water with different pH values and electric field values is measured, and their effects on the slip length are analyzed from the point of surface charge. Results show that a larger absolute value of surface charge density leads to a smaller slip length for the OTS surface.

Evaluation of Intrinsic Charge Carrier Transport at Insulator-Semiconductor Interfaces Probed by a Non-Contact Microwave-Based Technique

PubMed Central

Honsho, Yoshihito; Miyakai, Tomoyo; Sakurai, Tsuneaki; Saeki, Akinori; Seki, Shu

2013-01-01

We have successfully designed the geometry of the microwave cavity and the thin metal electrode, achieving resonance of the microwave cavity with the metal-insulator-semiconductor (MIS) device structure. This very simple MIS device operates in the cavity, where charge carriers are injected quantitatively by an applied bias at the insulator-semiconductor interface. The local motion of the charge carriers was clearly probed through the applied external microwave field, also giving the quantitative responses to the injected charge carrier density and charge/discharge characteristics. By means of the present measurement system named field-induced time-resolved microwave conductivity (FI-TRMC), the pentacene thin film in the MIS device allowed the evaluation of the hole and electron mobility at the insulator-semiconductor interface of 6.3 and 0.34 cm2 V−1 s−1, respectively. This is the first report on the direct, intrinsic, non-contact measurement of charge carrier mobility at interfaces that has been fully experimentally verified. PMID:24212382

The impact of electric vehicles on the outlook of future energy system

NASA Astrophysics Data System (ADS)

Zhuk, A.; Buzoverov, E.

2018-02-01

Active promotion of electric vehicles (EVs) and technology of fast EV charging in the medium term may cause significant peak loads on the energy system, what necessitates making strategic decisions related to the development of generating capacities, distribution networks with EV charging infrastructure, and priorities in the development of battery electric vehicles and vehicles with electrochemical generators. The paper analyses one of the most significant aspects of joint development of electric transport system and energy system in the conditions of substantial growth of energy consumption by EVs. The assessments of per-unit-costs of operation and depreciation of EV power unit were made, taking into consideration the expenses of electric power supply. The calculations show that the choice of electricity buffering method for EV fast charging depends on the character of electricity infrastructure in the region where the electric transport is operating. In the conditions of high density of electricity network and a large number of EVs, the stationary storage facilities or the technology of distributed energy storage in EV batteries - vehicle-to-grid (V2G) technology may be used for buffering. In the conditions of low density and low capacity of electricity networks, the most economical solution could be usage of EVs with traction power units based on the combination of air-aluminum electrochemical generator and a buffer battery of small capacity.

High-Performance Polymers Sandwiched with Chemical Vapor Deposited Hexagonal Boron Nitrides as Scalable High-Temperature Dielectric Materials.

PubMed

Azizi, Amin; Gadinski, Matthew R; Li, Qi; AlSaud, Mohammed Abu; Wang, Jianjun; Wang, Yi; Wang, Bo; Liu, Feihua; Chen, Long-Qing; Alem, Nasim; Wang, Qing

2017-09-01

Polymer dielectrics are the preferred materials of choice for power electronics and pulsed power applications. However, their relatively low operating temperatures significantly limit their uses in harsh-environment energy storage devices, e.g., automobile and aerospace power systems. Herein, hexagonal boron nitride (h-BN) films are prepared from chemical vapor deposition (CVD) and readily transferred onto polyetherimide (PEI) films. Greatly improved performance in terms of discharged energy density and charge-discharge efficiency is achieved in the PEI sandwiched with CVD-grown h-BN films at elevated temperatures when compared to neat PEI films and other high-temperature polymer and nanocomposite dielectrics. Notably, the h-BN-coated PEI films are capable of operating with >90% charge-discharge efficiencies and delivering high energy densities, i.e., 1.2 J cm -3 , even at a temperature close to the glass transition temperature of polymer (i.e., 217 °C) where pristine PEI almost fails. Outstanding cyclability and dielectric stability over a straight 55 000 charge-discharge cycles are demonstrated in the h-BN-coated PEI at high temperatures. The work demonstrates a general and scalable pathway to enable the high-temperature capacitive energy applications of a wide range of engineering polymers and also offers an efficient method for the synthesis and transfer of 2D nanomaterials at the scale demanded for applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps.

PubMed

Wang, Jimin

2017-06-01

Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point-field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge-fitting procedures from theoretical ESP density obtained from condensed-state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. © 2017 The Protein Society.

An analog neural hardware implementation using charge-injection multipliers and neutron-specific gain control.

PubMed

Massengill, L W; Mundie, D B

1992-01-01

A neural network IC based on a dynamic charge injection is described. The hardware design is space and power efficient, and achieves massive parallelism of analog inner products via charge-based multipliers and spatially distributed summing buses. Basic synaptic cells are constructed of exponential pulse-decay modulation (EPDM) dynamic injection multipliers operating sequentially on propagating signal vectors and locally stored analog weights. Individually adjustable gain controls on each neutron reduce the effects of limited weight dynamic range. A hardware simulator/trainer has been developed which incorporates the physical (nonideal) characteristics of actual circuit components into the training process, thus absorbing nonlinearities and parametric deviations into the macroscopic performance of the network. Results show that charge-based techniques may achieve a high degree of neural density and throughput using standard CMOS processes.

Performance of a MICROMEGAS-based TPC in a high-energy neutron beam

NASA Astrophysics Data System (ADS)

Snyder, L.; Manning, B.; Bowden, N. S.; Bundgaard, J.; Casperson, R. J.; Cebra, D. A.; Classen, T.; Duke, D. L.; Gearhart, J.; Greife, U.; Hagmann, C.; Heffner, M.; Hensle, D.; Higgins, D.; Isenhower, D.; King, J.; Klay, J. L.; Geppert-Kleinrath, V.; Loveland, W.; Magee, J. A.; Mendenhall, M. P.; Sangiorgio, S.; Seilhan, B.; Schmitt, K. T.; Tovesson, F.; Towell, R. S.; Walsh, N.; Watson, S.; Yao, L.; Younes, W.

2018-02-01

The MICROMEGAS (MICRO-MEsh GAseous Structure) charge amplification structure has found wide use in many detection applications, especially as a gain stage for the charge readout of Time Projection Chambers (TPCs). Here we report on the behavior of a MICROMEGAS TPC when operated in a high-energy (up to 800 MeV) neutron beam. It is found that neutron-induced reactions can cause discharges in some drift gas mixtures that are stable in the absence of the neutron beam. The discharges result from recoil ions close to the MICROMEGAS that deposit high specific ionization density and have a limited diffusion time. For a binary drift gas, increasing the percentage of the molecular component (quench gas) relative to the noble component and operating at lower pressures generally improves stability.

Charge density on thin straight wire, revisited

NASA Astrophysics Data System (ADS)

Jackson, J. D.

2000-09-01

The question of the equilibrium linear charge density on a charged straight conducting "wire" of finite length as its cross-sectional dimension becomes vanishingly small relative to the length is revisited in our didactic presentation. We first consider the wire as the limit of a prolate spheroidal conductor with semi-minor axis a and semi-major axis c when a/c<<1. We then treat an azimuthally symmetric straight conductor of length 2c and variable radius r(z) whose scale is defined by a parameter a. A procedure is developed to find the linear charge density λ(z) as an expansion in powers of 1/Λ, where Λ≡ln(4c2/a2), beginning with a uniform line charge density λ0. We show, for this rather general wire, that in the limit Λ>>1 the linear charge density becomes essentially uniform, but that the tiny nonuniformity (of order 1/Λ) is sufficient to produce a tangential electric field (of order Λ0) that cancels the zeroth-order field that naively seems to belie equilibrium. We specialize to a right circular cylinder and obtain the linear charge density explicitly, correct to order 1/Λ2 inclusive, and also the capacitance of a long isolated charged cylinder, a result anticipated in the published literature 37 years ago. The results for the cylinder are compared with published numerical computations. The second-order correction to the charge density is calculated numerically for a sampling of other shapes to show that the details of the distribution for finite 1/Λ vary with the shape, even though density becomes constant in the limit Λ→∞. We give a second method of finding the charge distribution on the cylinder, one that approximates the charge density by a finite polynomial in z2 and requires the solution of a coupled set of linear algebraic equations. Perhaps the most striking general observation is that the approach to uniformity as a/c→0 is extremely slow.

Primary Energy Reconstruction from the Charged Particle Densities Recorded with the KASCADE-Grande Detector at 500 m Distance from Shower Core

NASA Astrophysics Data System (ADS)

Toma, G.; Apel, W. D.; Arteaga, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrica, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schröder, F.; Sima, O.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2010-11-01

Previous EAS investigations have shown that for a fixed primary energy the charged particle density becomes independent of the primary mass at certain (fixed) distances from the shower core. This feature can be used as an estimator for the primary energy. We present results on the reconstruction of the primary energy spectrum of cosmic rays from the experimentally recorded S(500) observable (the density of charged particles at 500 m distance to the shower core) using the KASCADE-Grande detector array. The KASCADE-Grande experiment is hosted by the Karlsruhe Institute for Technology-Campus North, Karlsruhe, Germany, and operated by an international collaboration. The constant intensity cut (CIC) method is applied to evaluate the attenuation of the S(500) observable with the zenith angle and is corrected for. A calibration of S(500) values with the primary energy has been worked out by simulations and was applied to the data to obtain the primary energy spectrum (in the energy range log10[E0/GeV]∈[7.5,9]). The systematic uncertainties induced by different sources are considered. In addition, a correction based on a response matrix is applied to account for the effects of shower-to-shower fluctuations on the spectral index of the reconstructed energy spectrum.

Determination of the surface charge density and temperature dependence of purple membrane by electric force microscopy.

PubMed

Du, Huiwen; Li, Denghua; Wang, Yibing; Wang, Chenxuan; Zhang, Dongdong; Yang, Yan-lian; Wang, Chen

2013-08-29

We report here the measurement of the temperature-dependent surface charge density of purple membrane (PM) by using electrostatic force microscopy (EFM). The surface charge density was measured to be 3.4 × 10(5) e/cm(2) at room temperature and reaches the minimum at around 52 °C. The initial decrease of the surface charge density could be attributed to the reduced dipole alignment because of the thermally induced protein mobility in PM. The increase of charge density at higher temperature could be ascribed to the weakened interaction between proteins and the lipids, which leads to the exposure of the charged amino acids. This work could be a benefit to the direct assessment of the structural stability and electric properties of biological membranes at the nanoscale.

Lithium-antimony-lead liquid metal battery for grid-level energy storage

NASA Astrophysics Data System (ADS)

Wang, Kangli; Jiang, Kai; Chung, Brice; Ouchi, Takanari; Burke, Paul J.; Boysen, Dane A.; Bradwell, David J.; Kim, Hojong; Muecke, Ulrich; Sadoway, Donald R.

2014-10-01

The ability to store energy on the electric grid would greatly improve its efficiency and reliability while enabling the integration of intermittent renewable energy technologies (such as wind and solar) into baseload supply. Batteries have long been considered strong candidate solutions owing to their small spatial footprint, mechanical simplicity and flexibility in siting. However, the barrier to widespread adoption of batteries is their high cost. Here we describe a lithium-antimony-lead liquid metal battery that potentially meets the performance specifications for stationary energy storage applications. This Li||Sb-Pb battery comprises a liquid lithium negative electrode, a molten salt electrolyte, and a liquid antimony-lead alloy positive electrode, which self-segregate by density into three distinct layers owing to the immiscibility of the contiguous salt and metal phases. The all-liquid construction confers the advantages of higher current density, longer cycle life and simpler manufacturing of large-scale storage systems (because no membranes or separators are involved) relative to those of conventional batteries. At charge-discharge current densities of 275 milliamperes per square centimetre, the cells cycled at 450 degrees Celsius with 98 per cent Coulombic efficiency and 73 per cent round-trip energy efficiency. To provide evidence of their high power capability, the cells were discharged and charged at current densities as high as 1,000 milliamperes per square centimetre. Measured capacity loss after operation for 1,800 hours (more than 450 charge-discharge cycles at 100 per cent depth of discharge) projects retention of over 85 per cent of initial capacity after ten years of daily cycling. Our results demonstrate that alloying a high-melting-point, high-voltage metal (antimony) with a low-melting-point, low-cost metal (lead) advantageously decreases the operating temperature while maintaining a high cell voltage. Apart from the fact that this finding puts us on a desirable cost trajectory, this approach may well be more broadly applicable to other battery chemistries.

Lithium-antimony-lead liquid metal battery for grid-level energy storage.

PubMed

Wang, Kangli; Jiang, Kai; Chung, Brice; Ouchi, Takanari; Burke, Paul J; Boysen, Dane A; Bradwell, David J; Kim, Hojong; Muecke, Ulrich; Sadoway, Donald R

2014-10-16

The ability to store energy on the electric grid would greatly improve its efficiency and reliability while enabling the integration of intermittent renewable energy technologies (such as wind and solar) into baseload supply. Batteries have long been considered strong candidate solutions owing to their small spatial footprint, mechanical simplicity and flexibility in siting. However, the barrier to widespread adoption of batteries is their high cost. Here we describe a lithium-antimony-lead liquid metal battery that potentially meets the performance specifications for stationary energy storage applications. This Li||Sb-Pb battery comprises a liquid lithium negative electrode, a molten salt electrolyte, and a liquid antimony-lead alloy positive electrode, which self-segregate by density into three distinct layers owing to the immiscibility of the contiguous salt and metal phases. The all-liquid construction confers the advantages of higher current density, longer cycle life and simpler manufacturing of large-scale storage systems (because no membranes or separators are involved) relative to those of conventional batteries. At charge-discharge current densities of 275 milliamperes per square centimetre, the cells cycled at 450 degrees Celsius with 98 per cent Coulombic efficiency and 73 per cent round-trip energy efficiency. To provide evidence of their high power capability, the cells were discharged and charged at current densities as high as 1,000 milliamperes per square centimetre. Measured capacity loss after operation for 1,800 hours (more than 450 charge-discharge cycles at 100 per cent depth of discharge) projects retention of over 85 per cent of initial capacity after ten years of daily cycling. Our results demonstrate that alloying a high-melting-point, high-voltage metal (antimony) with a low-melting-point, low-cost metal (lead) advantageously decreases the operating temperature while maintaining a high cell voltage. Apart from the fact that this finding puts us on a desirable cost trajectory, this approach may well be more broadly applicable to other battery chemistries.

Microscopic gate-modulation imaging of charge and field distribution in polycrystalline organic transistors

NASA Astrophysics Data System (ADS)

Matsuoka, Satoshi; Tsutsumi, Jun'ya; Kamata, Toshihide; Hasegawa, Tatsuo

2018-04-01

In this work, a high-resolution microscopic gate-modulation imaging (μ-GMI) technique is successfully developed to visualize inhomogeneous charge and electric field distributions in operating organic thin-film transistors (TFTs). We conduct highly sensitive and diffraction-limit gate-modulation sensing for acquiring difference images of semiconducting channels between at gate-on and gate-off states that are biased at an alternate frequency of 15 Hz. As a result, we observe unexpectedly inhomogeneous distribution of positive and negative local gate-modulation (GM) signals at a probe photon energy of 1.85 eV in polycrystalline pentacene TFTs. Spectroscopic analyses based on a series of μ-GMI at various photon energies reveal that two distinct effects appear, simultaneously, within the polycrystalline pentacene channel layers: Negative GM signals at 1.85 eV originate from the second-derivative-like GM spectrum which is caused by the effect of charge accumulation, whereas positive GM signals originate from the first-derivative-like GM spectrum caused by the effect of leaked gate fields. Comparisons with polycrystalline morphologies indicate that grain centers are predominated by areas with high leaked gate fields due to the low charge density, whereas grain edges are predominantly high-charge-density areas with a certain spatial extension as associated with the concentrated carrier traps. Consequently, it is reasonably understood that larger grains lead to higher device mobility, but with greater inhomogeneity in charge distribution. These findings provide a clue to understand and improve device characteristics of polycrystalline TFTs.

Space and surface charge behavior analysis of charge-eliminated polymer films

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

Oda, Tetsuji; Takashima, Kazunori; Ichiyama, Shinichiro

1995-12-31

Charge behavior of corona-charged or charge eliminated polymer films being dipped in the city water were studied. They were polytetrafluoroethylene (PTFE teflon{trademark}), polypropylene (PP), low density or high density polyethylene (LDPE or HDPE) thin films which are as grown (native) or plasma-processed. The plasma processing at low pressure was tested as antistatic processing. Charge elimination was done by being dipped in alcohol or city water. TSDC analysis and surface charge profile measurement were done for both charged and charge eliminated polymer films. Surface charge density of plasma processed polymer films just after corona charging is roughly the same as thatmore » of an original film. There is little difference between surface charge density profile of a native film and that of a plasma processed film. A large hetero current peak of TSDC was observed at room temperature for a processed film. It was found that the hetero peak disappears after charge elimination process. A pressure pulse wave method by using a pulse-driven piezoelectric PVDF polymer film as a piezoelectric actuator was newly developed to observe real space charge distribution. A little difference of internal space charge distribution between the plasma processed film and the native one after corona charging is found.« less

Effect of surface charge density on the affinity of oxide nanoparticles for the vapor-water interface.

PubMed

Brown, Matthew A; Duyckaerts, Nicolas; Redondo, Amaia Beloqui; Jordan, Inga; Nolting, Frithjof; Kleibert, Armin; Ammann, Markus; Wörner, Hans Jakob; van Bokhoven, Jeroen A; Abbas, Zareen

2013-04-23

Using in-situ X-ray photoelectron spectroscopy at the vapor-water interface, the affinity of nanometer-sized silica colloids to adsorb at the interface is shown to depend on colloid surface charge density. In aqueous suspensions at pH 10 corrected Debye-Hückel theory for surface complexation calculations predict that smaller silica colloids have increased negative surface charge density that originates from enhanced screening of deprotonated silanol groups (≡Si-O(-)) by counterions in the condensed ion layer. The increased negative surface charge density results in an electrostatic repulsion from the vapor-water interface that is seen to a lesser extent for larger particles that have a reduced charge density in the XPS measurements. We compare the results and interpretation of the in-situ XPS and corrected Debye-Hückel theory for surface complexation calculations with traditional surface tension measurements. Our results show that controlling the surface charge density of colloid particles can regulate their adsorption to the interface between two dielectrics.

An experiment to detect and locate lightning associated with eruptions of Redoubt Volcano

USGS Publications Warehouse

Hoblitt, R.P.

1994-01-01

A commercially-available lightning-detection system was temporarily deployed near Cook Inlet, Alaska in an attempt to remotely monitor volcanogenic lightning associated with eruptions of Redoubt Volcano. The system became operational on February 14, 1990; lightning was detected in 11 and located in 9 of the 13 subsequent eruptions. The lightning was generated by ash clouds rising from pyroclastic density currents produced by collapse of a lava dome emplaced near Redoubt's summit. Lightning discharge (flash) location was controlled by topography, which channeled the density currents, and by wind direction. In individual eruptions, early flashes tended to have a negative polarity (negative charge is lowered to ground) while late flashes tended to have a positive polarity (positive charge is lowered to ground), perhaps because the charge-separation process caused coarse, rapid-settling particles to be negatively charged and fine, slow-settling particles to be positively charged. Results indicate that lightning detection and location is a useful adjunct to seismic volcano monitoring, particularly when poor weather or darkness prevents visual observation. The simultaneity of seismicity and lightning near a volcano provides the virtual certainty that an ash cloud is present. This information is crucial for aircraft safety and to warn threatened communities of impending tephra falls. The Alaska Volcano Observatory has now deployed a permanent lightning-detection network around Cook Inlet. ?? 1994.

Charge carrier thermalization in organic diodes

PubMed Central

van der Kaap, N. J.; Koster, L. J. A.

2016-01-01

Charge carrier mobilities of organic semiconductors are often characterized using steady-state measurements of space charge limited diodes. These measurements assume that charge carriers are in a steady-state equilibrium. In reality, however, energetically hot carriers are introduces by photo-excitation and injection into highly energetic sites from the electrodes. These carriers perturb the equilibrium density of occupied states, and therefore change the overall charge transport properties. In this paper, we look into the effect of energetically hot carriers on the charge transport in organic semiconductors using steady state kinetic Monte Carlo simulations. For injected hot carriers in a typical organic semiconductor, rapid energetic relaxation occurs in the order of tens of nanoseconds, which is much faster than the typical transit time of a charge carrier throught the device. Furthermore, we investigate the impact of photo-generated carriers on the steady-state mobility. For a typical organic voltaic material, an increase in mobility of a factor of 1.1 is found. Therefore, we conclude that the impact of energetically hot carriers on normal device operation is limited. PMID:26791095

On contribution of known atomic partial charges of protein backbone in electrostatic potential density maps

PubMed Central

2017-01-01

Abstract Partial charges of atoms in a molecule and electrostatic potential (ESP) density for that molecule are known to bear a strong correlation. In order to generate a set of point‐field force field parameters for molecular dynamics, Kollman and coworkers have extracted atomic partial charges for each of all 20 amino acids using restrained partial charge‐fitting procedures from theoretical ESP density obtained from condensed‐state quantum mechanics. The magnitude of atomic partial charges for neutral peptide backbone they have obtained is similar to that of partial atomic charges for ionized carboxylate side chain atoms. In this study, the effect of these known atomic partial charges on ESP is examined using computer simulations and compared with the experimental ESP density recently obtained for proteins using electron microscopy. It is found that the observed ESP density maps are most consistent with the simulations that include atomic partial charges of protein backbone. Therefore, atomic partial charges are integral part of atomic properties in protein molecules and should be included in model refinement. PMID:28370507

Farfield Ion Current Density Measurements before and after the NASA HiVHAc EDU2 Vibration Test

NASA Technical Reports Server (NTRS)

Huang, Wensheng; Kamhawi, Hani; Shastry, Rohit

2012-01-01

There is an increasing need to characterize the plasma plume of the NASA HiVHAc thruster in order to better understand the plasma physics and to obtain data for spacecraft interaction studies. To address this need, the HiVHAc research team is in the process of developing a number of plume diagnostic systems. This paper presents the initial results of the farfield current density probe diagnostic system. Farfield current density measurements were carried out before and after a vibration test of the HiVHAc engineering development unit 2 that simulate typical launch conditions. The main purposes of the current density measurements were to evaluate the thruster plume divergence and to investigate any changes in the plasma plume that may occur as a result of the vibration test. Radial sweeps, as opposed to the traditional polar sweeps, were performed during these tests. The charged-weighted divergence angles were found to vary from 16 to 28 degrees. Charge density profiles measured pre- and post-vibration-test were found to be in excellent agreement. This result, alongside thrust measurements reported in a companion paper, confirm that the operation of the HiVHAc engineering development unit 2 were not altered by full-level/random vibration testing.

Electron dynamics inside a vacuum tube diode through linear differential equations

NASA Astrophysics Data System (ADS)

González, Gabriel; Orozco, Fco. Javier González; Orozco

2014-04-01

In this paper we analyze the motion of charged particles in a vacuum tube diode by solving linear differential equations. Our analysis is based on expressing the volume charge density as a function of the current density and coordinates only, i.e. ρ=ρ(J,z), while in the usual scheme the volume charge density is expressed as a function of the current density and electrostatic potential, i.e. ρ=ρ(J,V). We show that, in the case of slow varying charge density, the space-charge-limited current is reduced up to 50%. Our approach gives the well-known behavior of the classical current density proportional to the three-halves power of the bias potential and inversely proportional to the square of the gap distance between electrodes, and does not require the solution of the nonlinear differential equation normally associated with the Child-Langmuir formulation.

A self-powered glucose biosensing system.

PubMed

Slaughter, Gymama; Kulkarni, Tanmay

2016-04-15

A self-powered glucose biosensor (SPGS) system is fabricated and in vitro characterization of the power generation and charging frequency characteristics in glucose analyte are described. The bioelectrodes consist of compressed network of three-dimensional multi-walled carbon nanotubes with redox enzymes, pyroquinoline quinone glucose dehydrogenase (PQQ-GDH) and laccase functioning as the anodic and cathodic catalyst, respectively. When operated in 45 mM glucose, the biofuel cell exhibited an open circuit voltage and power density of 681.8 mV and 67.86 µW/cm(2) at 335 mV, respectively, with a current density of 202.2 µA/cm(2). Moreover, at physiological glucose concentration (5mM), the biofuel cell exhibits open circuit voltage and power density of 302.1 mV and 15.98 µW/cm(2) at 166.3 mV, respectively, with a current density of 100 µA/cm(2). The biofuel cell assembly produced a linear dynamic range of 0.5-45 mM glucose. These findings show that glucose biofuel cells can be further investigated in the development of a self-powered glucose biosensor by using a capacitor as the transducer element. By monitoring the capacitor charging frequencies, which are influenced by the concentration of the glucose analyte, a linear dynamic range of 0.5-35 mM glucose is observed. The operational stability of SPGS is monitored over a period of 63 days and is found to be stable with 15.38% and 11.76% drop in power density under continuous discharge in 10mM and 20mM glucose, respectively. These results demonstrate that SPGSs can simultaneously generate bioelectricity to power ultra-low powered devices and sense glucose. Copyright © 2015 Elsevier B.V. All rights reserved.

Near Real Time Tools for ISS Plasma Science and Engineering Applications

NASA Astrophysics Data System (ADS)

Minow, J. I.; Willis, E. M.; Parker, L. N.; Shim, J.; Kuznetsova, M. M.; Pulkkinen, A. A.

2013-12-01

The International Space Station (ISS) program utilizes a plasma environment forecast for estimating electrical charging hazards for crews during extravehicular activity (EVA). The process uses ionospheric electron density and temperature measurements from the ISS Floating Potential Measurement Unit (FPMU) instrument suite with the assumption that the plasma conditions will remain constant for one to fourteen days with a low probability for a space weather event which would significantly change the environment before an EVA. FPMU data is typically not available during EVA's, therefore, the most recent FPMU data available for characterizing the state of the ionosphere during EVA is typically a day or two before the start of an EVA or after the EVA has been completed. In addition to EVA support, information on ionospheric plasma densities is often needed for support of ISS science payloads and anomaly investigations during periods when the FPMU is not operating. This presentation describes the application of space weather tools developed by MSFC using data from near real time satellite radio occultation and ground based ionosonde measurements of ionospheric electron density and a first principle ionosphere model providing electron density and temperature run in a real time mode by GSFC. These applications are used to characterize the space environment during EVA periods when FPMU data is not available, monitor for large charges in ionosphere density that could render the ionosphere forecast and plasma hazard assessment invalid, and validate the assumption of 'persistence of conditions' used in deriving the hazard forecast. In addition, the tools are used to provide space environment input to science payloads on ISS and anomaly investigations during periods the FPMU is not operating.

In-flight calibration of mesospheric rocket plasma probes

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

Havnes, Ove; University Studies Svalbard; Hartquist, Thomas W.

Many effects and factors can influence the efficiency of a rocket plasma probe. These include payload charging, solar illumination, rocket payload orientation and rotation, and dust impact induced secondary charge production. As a consequence, considerable uncertainties can arise in the determination of the effective cross sections of plasma probes and measured electron and ion densities. We present a new method for calibrating mesospheric rocket plasma probes and obtaining reliable measurements of plasma densities. This method can be used if a payload also carries a probe for measuring the dust charge density. It is based on that a dust probe's effectivemore » cross section for measuring the charged component of dust normally is nearly equal to its geometric cross section, and it involves the comparison of variations in the dust charge density measured with the dust detector to the corresponding current variations measured with the electron and/or ion probes. In cases in which the dust charge density is significantly smaller than the electron density, the relation between plasma and dust charge density variations can be simplified and used to infer the effective cross sections of the plasma probes. We illustrate the utility of the method by analysing the data from a specific rocket flight of a payload containing both dust and electron probes.« less

In-flight calibration of mesospheric rocket plasma probes.

PubMed

Havnes, Ove; Hartquist, Thomas W; Kassa, Meseret; Morfill, Gregor E

2011-07-01

Many effects and factors can influence the efficiency of a rocket plasma probe. These include payload charging, solar illumination, rocket payload orientation and rotation, and dust impact induced secondary charge production. As a consequence, considerable uncertainties can arise in the determination of the effective cross sections of plasma probes and measured electron and ion densities. We present a new method for calibrating mesospheric rocket plasma probes and obtaining reliable measurements of plasma densities. This method can be used if a payload also carries a probe for measuring the dust charge density. It is based on that a dust probe's effective cross section for measuring the charged component of dust normally is nearly equal to its geometric cross section, and it involves the comparison of variations in the dust charge density measured with the dust detector to the corresponding current variations measured with the electron and/or ion probes. In cases in which the dust charge density is significantly smaller than the electron density, the relation between plasma and dust charge density variations can be simplified and used to infer the effective cross sections of the plasma probes. We illustrate the utility of the method by analysing the data from a specific rocket flight of a payload containing both dust and electron probes.

Use of cationic polymers to reduce pathogen levels during dairy manure separation.

PubMed

Liu, Zong; Carroll, Zachary S; Long, Sharon C; Gunasekaran, Sundaram; Runge, Troy

2016-01-15

Various separation technologies are used to deal with the enormous amounts of animal waste that large livestock operations generate. When the recycled waste stream is land applied, it is essential to lower the pathogen load to safeguard the health of livestock and humans. We investigated whether cationic polymers, used as a flocculent in the solid/liquid separation process, could reduce the pathogen indicator load in the animal waste stream. The effects of low charge density cationic polyacrylamide (CPAM) and high charge density cationic polydicyandiamide (PDCD) were investigated. Results demonstrated that CPAM was more effective than PDCD for manure coagulation and flocculation, while PDCD was more effective than CPAM in reducing the pathogen indicator loads. However, their combined use, CPAM followed by PDCD, resulted in both improved solids separation and pathogen indicator reduction. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Charge Saturation and Intrinsic Doping in Electrolyte-Gated Organic Semiconductors.

PubMed

Atallah, Timothy L; Gustafsson, Martin V; Schmidt, Elliot; Frisbie, C Daniel; Zhu, X-Y

2015-12-03

Electrolyte gating enables low voltage operation of organic thin film transistors, but little is known about the nature of the electrolyte/organic interface. Here we apply charge-modulation Fourier transform infrared spectroscopy, in conjunction with electrical measurements, on a model electrolyte gated organic semiconductor interface: single crystal rubrene/ion-gel. We provide spectroscopic signature for free-hole like carriers in the organic semiconductor and unambiguously show the presence of a high density of intrinsic doping of the free holes upon formation of the rubrene/ion-gel interface, without gate bias (Vg = 0 V). We explain this intrinsic doping as resulting from a thermodynamic driving force for the stabilization of free holes in the organic semiconductor by anions in the ion-gel. Spectroscopy also reveals the saturation of free-hole like carrier density at the rubrene/ion-gel interface at Vg < -0.5 V, which is commensurate with the negative transconductance seen in transistor measurements.

Asymmetric Supercapacitor for Long-Duration Power Storage

NASA Technical Reports Server (NTRS)

Rangan, Krishnaswamy K.; Sudarshan, Tirumalai S.

2012-01-01

A document discusses a project in which a series of novel hybrid positive electrode materials was developed and tested in asymmetric capacitors with carbon negative electrodes. The electrochemical performance of the hybrid capacitors was characterized by cyclic voltammetry and a DC charge/discharge test. The hybrid capacitor exhibited ideal capacitor behavior with an extended operating voltage of 1.6 V in aqueous electrolyte, and energy density higher than activated carbon-based supercapacitors. Nanostructured MnO2 is a promising material for electrochemical capacitors (ECS) because of its low cost, environmentally friendly nature, and reasonably high specific capacitance. The charge capacity of the capacitors can be further improved by increasing the specific surface area of the MnO2 electrode material. The power density and space radiation stability of the capacitors can be enhanced by coating the MnO2 nanoparticles with conducting polymers. The conducting polymer coating also helps in radiation-hardening the ECS.

The Sheath Transport Observer for the Redistribution of Mass (STORM) Image

NASA Technical Reports Server (NTRS)

Kuntz, Kip; Collier, Michael; Sibeck, David G.; Porter, F. Scott; Carter, J. A.; Cravens, Thomas; Omidi, N.; Robertson, Ina; Sembay, S.; Snowden, Steven L.

2008-01-01

All of the solar wind energy that powers magnetospheric processes passes through the magnetosheath and magnetopause. Global images of the magnetosheath and magnetopause boundary layers will resolve longstanding controversy surrounding fundamental phenomena that occur at the magnetopause and provide information needed to improve operational space weather models. Recent developments showing that soft X-rays (0.15-1 keV) result from high charge state solar wind ions undergoing charge exchange recombination through collisions with exospheric neutral atoms has led to the realization that soft X-ray imaging can provide global maps of the high-density shocked solar wind within the magnetosheath and cusps, regions lying between the lower density solar wind and magnetosphere. We discuss an instrument concept called the Sheath Transport Observer for the Redistribution of Mass (STORM), an X-ray imager suitable for simultaneously imaging the dayside magnetosheath, the magnetopause boundary layers, and the cusps.

The Sheath Transport Observer for the Redistribution of Mass (STORM) Imager

NASA Technical Reports Server (NTRS)

Collier, Michael R.; Sibeck, David G.; Porter, F. Scott; Burch, J.; Carter, J. A.; Cravens, Thomas; Kuntz, Kip; Omidi, N.; Read, A.; Robertson, Ina;

Electron quantum dynamics in atom-ion interaction

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

Sabzyan, H., E-mail: sabzyan@sci.ui.ac.ir; Jenabi, M. J.

2016-04-07

Electron transfer (ET) process and its dependence on the system parameters are investigated by solving two-dimensional time-dependent Schrödinger equation numerically using split operator technique. Evolution of the electron wavepacket occurs from the one-electron species hydrogen atom to another bare nucleus of charge Z > 1. This evolution is quantified by partitioning the simulation box and defining regional densities belonging to the two nuclei of the system. It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, whichmore » define the potential energy surface governing the electron wavepacket evolution. Also, the initial electronic state of the single-electron atom has critical effect on this evolution and its consequent (partial) electron transfer depending on its spreading extent and orientation with respect to the inter-nuclear axis.« less

Charge carrier mobility in thin films of organic semiconductors by the gated van der Pauw method

PubMed Central

Rolin, Cedric; Kang, Enpu; Lee, Jeong-Hwan; Borghs, Gustaaf; Heremans, Paul; Genoe, Jan

2017-01-01

Thin film transistors based on high-mobility organic semiconductors are prone to contact problems that complicate the interpretation of their electrical characteristics and the extraction of important material parameters such as the charge carrier mobility. Here we report on the gated van der Pauw method for the simple and accurate determination of the electrical characteristics of thin semiconducting films, independently from contact effects. We test our method on thin films of seven high-mobility organic semiconductors of both polarities: device fabrication is fully compatible with common transistor process flows and device measurements deliver consistent and precise values for the charge carrier mobility and threshold voltage in the high-charge carrier density regime that is representative of transistor operation. The gated van der Pauw method is broadly applicable to thin films of semiconductors and enables a simple and clean parameter extraction independent from contact effects. PMID:28397852

Novel Approach to Evaluation of Charging on Semiconductor Surface by Noncontact, Electrode-Free Capacitance/Voltage Measurement

NASA Astrophysics Data System (ADS)

Hirae, Sadao; Kohno, Motohiro; Okada, Hiroshi; Matsubara, Hideaki; Nakatani, Ikuyoshi; Kusuda, Tatsufumi; Sakai, Takamasa

1994-04-01

This paper describes a novel approach to the quantitative characterization of semiconductor surface charging caused by plasma exposures and ion implantations. The problems in conventional evaluation of charging are also discussed. Following the discussions above, the necessity of unified criteria is suggested for efficient development of systems or processes without charging damage. Hence, the charging saturation voltage between a top oxide surface and substrate, V s, and the charging density per unit area per second, ρ0, should be taken as criteria of charging behavior, which effectively represent the charging characteristics of both processes. The unified criteria can be obtained from the exposure time dependence of a net charging density on the thick field oxide. In order to determine V s and ρ0, the analysis using the C-V curve measured in a noncontact method with the metal-air-insulator-semiconductor (MAIS) technique is employed. The total space-charge density in oxide and its centroid can be determined at the same time by analyzing the flat-band voltage (V fb) of the MAIS capacitor as a function of the air gap. The net charge density can be obtained by analyzing the difference between the total space-charge density in oxide before and after charging. Finally, it is shown that charge damage of the large area metal-oxide-semiconductor (MOS) capacitor can be estimated from both V s and ρ0 which are obtained from results for a thick field oxide implanted with As+ and exposed to oxygen plasma.

Poisson-Boltzmann theory of the charge-induced adsorption of semi-flexible polyelectrolytes.

PubMed

Ubbink, Job; Khokhlov, Alexei R

2004-03-15

A model is suggested for the structure of an adsorbed layer of a highly charged semi-flexible polyelectrolyte on a weakly charged surface of opposite charge sign. The adsorbed phase is thin, owing to the effective reversal of the charge sign of the surface upon adsorption, and ordered, owing to the high surface density of polyelectrolyte strands caused by the generally strong binding between polyelectrolyte and surface. The Poisson-Boltzmann equation for the electrostatic interaction between the array of adsorbed polyelectrolytes and the charged surface is solved for a cylindrical geometry, both numerically, using a finite element method, and analytically within the weak curvature limit under the assumption of excess monovalent salt. For small separations, repulsive surface polarization and counterion osmotic pressure effects dominate over the electrostatic attraction and the resulting electrostatic interaction curve shows a minimum at nonzero separations on the Angstrom scale. The equilibrium density of the adsorbed phase is obtained by minimizing the total free energy under the condition of equality of chemical potential and osmotic pressure of the polyelectrolyte in solution and in the adsorbed phase. For a wide range of ionic conditions and charge densities of the charged surface, the interstrand separation as predicted by the Poisson-Boltzmann model and the analytical theory closely agree. For low to moderate charge densities of the adsorbing surface, the interstrand spacing decreases as a function of the charge density of the charged surface. Above about 0.1 M excess monovalent salt, it is only weakly dependent on the ionic strength. At high charge densities of the adsorbing surface, the interstrand spacing increases with increasing ionic strength, in line with the experiments by Fang and Yang [J. Phys. Chem. B 101, 441 (1997)]. (c) 2004 American Institute of Physics.

Charge density dependent mobility of organic hole-transporters and mesoporous TiO₂ determined by transient mobility spectroscopy: implications to dye-sensitized and organic solar cells.

PubMed

Leijtens, Tomas; Lim, Jongchul; Teuscher, Joël; Park, Taiho; Snaith, Henry J

2013-06-18

Transient mobility spectroscopy (TMS) is presented as a new tool to probe the charge carrier mobility of commonly employed organic and inorganic semiconductors over the relevant range of charge densities. The charge density dependence of the mobility of semiconductors used in hybrid and organic photovoltaics gives new insights into charge transport phenomena in solid state dye sensitized solar cells. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical Simulations of Flow Separation Control in Low-Pressure Turbines using Plasma Actuators

NASA Technical Reports Server (NTRS)

Suzen, Y. B.; Huang, P. G.; Ashpis, D. E.

2007-01-01

A recently introduced phenomenological model to simulate flow control applications using plasma actuators has been further developed and improved in order to expand its use to complicated actuator geometries. The new modeling approach eliminates the requirement of an empirical charge density distribution shape by using the embedded electrode as a source for the charge density. The resulting model is validated against a flat plate experiment with quiescent environment. The modeling approach incorporates the effect of the plasma actuators on the external flow into Navier Stokes computations as a body force vector which is obtained as a product of the net charge density and the electric field. The model solves the Maxwell equation to obtain the electric field due to the applied AC voltage at the electrodes and an additional equation for the charge density distribution representing the plasma density. The new modeling approach solves the charge density equation in the computational domain assuming the embedded electrode as a source therefore automatically generating a charge density distribution on the surface exposed to the flow similar to that observed in the experiments without explicitly specifying an empirical distribution. The model is validated against a flat plate experiment with quiescent environment.

Performance of a MICROMEGAS-based TPC in a high-energy neutron beam

DOE PAGES

Snyder, L.; Manning, B.; Bowden, N. S.; ...

2017-11-01

The MICROMEGAS (MICRO-MEsh GAseous Structure) charge amplification structure has found wide use in many detection applications, especially as a gain stage for the charge readout of Time Projection Chambers (TPCs). We report on the behavior of a MICROMEGAS TPC when operated in a high-energy (up to 800 MeV) neutron beam. It is found that neutron-induced reactions can cause discharges in some drift gas mixtures that are stable in the absence of the neutron beam. The discharges result from recoil ions close to the MICROMEGAS that deposit high specific ionization density and have a limited diffusion time. And for a binarymore » drift gas, increasing the percentage of the molecular component (quench gas) relative to the noble component and operating at lower pressures generally improves stability.« less

Genesis of charge orders in high temperature superconductors

PubMed Central

Tu, Wei-Lin; Lee, Ting-Kuo

2016-01-01

One of the most puzzling facts about cuprate high-temperature superconductors in the lightly doped regime is the coexistence of uniform superconductivity and/or antiferromagnetism with many low-energy charge-ordered states in a unidirectional charge density wave or a bidirectional checkerboard structure. Recent experiments have discovered that these charge density waves exhibit different symmetries in their intra-unit-cell form factors for different cuprate families. Using a renormalized mean-field theory for a well-known, strongly correlated model of cuprates, we obtain a number of charge-ordered states with nearly degenerate energies without invoking special features of the Fermi surface. All of these self-consistent solutions have a pair density wave intertwined with a charge density wave and sometimes a spin density wave. Most of these states vanish in the underdoped regime, except for one with a large d-form factor that vanishes at approximately 19% doping of the holes, as reported by experiments. Furthermore, these states could be modified to have a global superconducting order, with a nodal-like density of states at low energy. PMID:26732076

SEMICONDUCTOR TECHNOLOGY: Influence of nitrogen dose on the charge density of nitrogen-implanted buried oxide in SOI wafers

NASA Astrophysics Data System (ADS)

Zhongshan, Zheng; Zhongli, Liu; Ning, Li; Guohua, Li; Enxia, Zhang

2010-02-01

To harden silicon-on-insulator (SOI) wafers fabricated using separation by implanted oxygen (SIMOX) to total-dose irradiation, the technique of nitrogen implantation into the buried oxide (BOX) layer of SIMOX wafers can be used. However, in this work, it has been found that all the nitrogen-implanted BOX layers reveal greater initial positive charge densities, which increased with increasing nitrogen implantation dose. Also, the results indicate that excessively large nitrogen implantation dose reduced the radiation tolerance of BOX for its high initial positive charge density. The bigger initial positive charge densities can be ascribed to the accumulation of implanted nitrogen near the Si-BOX interface after annealing. On the other hand, in our work, it has also been observed that, unlike nitrogen-implanted BOX, all the fluorine-implanted BOX layers show a negative charge density. To obtain the initial charge densities of the BOX layers, the tested samples were fabricated with a metal-BOX-silicon (MBS) structure based on SIMOX wafers for high-frequency capacitance-voltage (C-V) analysis.

Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements.

PubMed

Villeneuve-Faure, C; Boudou, L; Makasheva, K; Teyssedre, G

2017-12-15

To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson's equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements

NASA Astrophysics Data System (ADS)

Villeneuve-Faure, C.; Boudou, L.; Makasheva, K.; Teyssedre, G.

2017-12-01

To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson’s equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources.

PubMed

Odorici, F; Malferrari, L; Montanari, A; Rizzoli, R; Mascali, D; Castro, G; Celona, L; Gammino, S; Neri, L

2016-02-01

Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to "screen" the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used, as explained by plasma diffusion models.

Gasoline Combustion Fundamentals DOE FY17 Report

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

Ekoto, Isaac W.

Advanced automotive gasoline engines that leverage a combination of reduced heat transfer, throttling, and mechanical losses; shorter combustion durations; and higher compression and mixture specific heat ratios are needed to meet aggressive DOE VTP fuel economy and pollutant emission targets. Central challenges include poor combustion stability at low-power conditions when large amounts of charge dilution are introduced and high sensitivity of conventional inductive coil ignition systems to elevated charge motion and density for boosted high-load operation. For conventional spark ignited operation, novel low-temperature plasma (LTP) or pre-chamber based ignition systems can improve dilution tolerances while maintaining good performance characteristics atmore » elevated charge densities. Moreover, these igniters can improve the control of advanced compression ignition (ACI) strategies for gasoline at low to moderate loads. The overarching research objective of the Gasoline Combustion Fundamentals project is to investigate phenomenological aspects related to enhanced ignition. The objective is accomplished through targeted experiments performed in a single-cylinder optically accessible research engine or an in-house developed optically accessible spark calorimeter (OASC). In situ optical diagnostics and ex situ gas sampling measurements are performed to elucidate important details of ignition and combustion processes. Measurements are further used to develop and validate complementary high-fidelity ignition simulations. The primary project audience is automotive manufacturers, Tier 1 suppliers, and technology startups—close cooperation has resulted in the development and execution of project objectives that address crucial mid- to long-range research challenges.« less

Experimental verification of gain drop due to general ion recombination for a carbon-ion pencil beam

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

Tansho, Ryohei, E-mail: r-tansho@nirs.go.jp; Furukawa, Takuji; Hara, Yousuke

Purpose: Accurate dose measurement in radiotherapy is critically dependent on correction for gain drop, which is the difference of the measured current from the ideal saturation current due to general ion recombination. Although a correction method based on the Boag theory has been employed, the theory assumes that ionized charge density in an ionization chamber (IC) is spatially uniform throughout the irradiation volume. For particle pencil beam scanning, however, the charge density is not uniform, because the fluence distribution of a pencil beam is not uniform. The aim of this study was to verify the effect of the nonuniformity ofmore » ionized charge density on the gain drop due to general ion recombination. Methods: The authors measured the saturation curve, namely, the applied voltage versus measured current, using a large plane-parallel IC and 24-channel parallel-plate IC with concentric electrodes. To verify the effect of the nonuniform ionized charge density on the measured saturation curve, the authors calculated the saturation curve using a method which takes into account the nonuniform ionized charge density and compared it with the measured saturation curves. Results: Measurement values of the different saturation curves in the different channels of the concentric electrodes differed and were consistent with the calculated values. The saturation curves measured by the large plane-parallel IC were also consistent with the calculation results, including the estimation error of beam size and of setup misalignment. Although the impact of the nonuniform ionized charge density on the gain drop was clinically negligible with the conventional beam intensity, it was expected that the impact would increase with higher ionized charge density. Conclusions: For pencil beam scanning, the assumption of the conventional Boag theory is not valid. Furthermore, the nonuniform ionized charge density affects the prediction accuracy of gain drop when the ionized charge density is increased by a higher dose rate and/or lower beam size.« less

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

PubMed

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

Fermionic currents in AdS spacetime with compact dimensions

NASA Astrophysics Data System (ADS)

Bellucci, S.; Saharian, A. A.; Vardanyan, V.

2017-09-01

We derive a closed expression for the vacuum expectation value (VEV) of the fermionic current density in a (D +1 )-dimensional locally AdS spacetime with an arbitrary number of toroidally compactified Poincaré spatial dimensions and in the presence of a constant gauge field. The latter can be formally interpreted in terms of a magnetic flux treading the compact dimensions. In the compact subspace, the field operator obeys quasiperiodicity conditions with arbitrary phases. The VEV of the charge density is zero and the current density has nonzero components along the compact dimensions only. They are periodic functions of the magnetic flux with the period equal to the flux quantum and tend to zero on the AdS boundary. Near the horizon, the effect of the background gravitational field is small and the leading term in the corresponding asymptotic expansion coincides with the VEV for a massless field in the locally Minkowski bulk. Unlike the Minkowskian case, in the system consisting of an equal number of fermionic and scalar degrees of freedom, with same masses, charges and phases in the periodicity conditions, the total current density does not vanish. In these systems, the leading divergences in the scalar and fermionic contributions on the horizon are canceled and, as a consequence of that, the charge flux, integrated over the coordinate perpendicular to the AdS boundary, becomes finite. We show that in odd spacetime dimensions the fermionic fields realizing two inequivalent representations of the Clifford algebra and having equal phases in the periodicity conditions give the same contribution to the VEV of the current density. Combining the contributions from these fields, the current density in odd-dimensional C -,P - and T -symmetric models are obtained. As an application, we consider the ground state current density in curved carbon nanotubes described in terms of a (2 +1 )-dimensional effective Dirac model.

Cheshire charge in (3+1)-dimensional topological phases

NASA Astrophysics Data System (ADS)

Else, Dominic V.; Nayak, Chetan

2017-07-01

We show that (3 +1 ) -dimensional topological phases of matter generically support loop excitations with topological degeneracy. The loops carry "Cheshire charge": topological charge that is not the integral of a locally defined topological charge density. Cheshire charge has previously been discussed in non-Abelian gauge theories, but we show that it is a generic feature of all (3+1)-D topological phases (even those constructed from an Abelian gauge group). Indeed, Cheshire charge is closely related to nontrivial three-loop braiding. We use a dimensional reduction argument to compute the topological degeneracy of loop excitations in the (3 +1 ) -dimensional topological phases associated with Dijkgraaf-Witten gauge theories. We explicitly construct membrane operators associated with such excitations in soluble microscopic lattice models in Z2×Z2 Dijkgraaf-Witten phases and generalize this construction to arbitrary membrane-net models. We explain why these loop excitations are the objects in the braided fusion 2-category Z (2 VectGω) , thereby supporting the hypothesis that 2-categories are the correct mathematical framework for (3 +1 ) -dimensional topological phases.

The Dielectric Permittivity of Crystals in the Reduced Hartree-Fock Approximation

NASA Astrophysics Data System (ADS)

Cancès, Éric; Lewin, Mathieu

2010-07-01

In a recent article (Cancès et al. in Commun Math Phys 281:129-177, 2008), we have rigorously derived, by means of bulk limit arguments, a new variational model to describe the electronic ground state of insulating or semiconducting crystals in the presence of local defects. In this so-called reduced Hartree-Fock model, the ground state electronic density matrix is decomposed as {γ = γ^0_per + Q_{ν,\\varepsilon_F}}, where {γ^0_per} is the ground state density matrix of the host crystal and {Q_{ν,\\varepsilon_F}} the modification of the electronic density matrix generated by a modification ν of the nuclear charge of the host crystal, the Fermi level ɛ F being kept fixed. The purpose of the present article is twofold. First, we study in more detail the mathematical properties of the density matrix {Q_{ν,\\varepsilon_F}} (which is known to be a self-adjoint Hilbert-Schmidt operator on {L^2(mathbb{R}^3)}). We show in particular that if {int_{mathbb{R}^3} ν neq 0, Q_{ν,\\varepsilon_F}} is not trace-class. Moreover, the associated density of charge is not in {L^1(mathbb{R}^3)} if the crystal exhibits anisotropic dielectric properties. These results are obtained by analyzing, for a small defect ν, the linear and nonlinear terms of the resolvent expansion of {Q_{ν,\\varepsilon_F}}. Second, we show that, after an appropriate rescaling, the potential generated by the microscopic total charge (nuclear plus electronic contributions) of the crystal in the presence of the defect converges to a homogenized electrostatic potential solution to a Poisson equation involving the macroscopic dielectric permittivity of the crystal. This provides an alternative (and rigorous) derivation of the Adler-Wiser formula.

An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

PubMed

Ahn, Yongjun; Yeo, Hwasoo

2015-01-01

The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC) stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive adoption of electric vehicles.

Robust statistical reconstruction for charged particle tomography

DOEpatents

Schultz, Larry Joe; Klimenko, Alexei Vasilievich; Fraser, Andrew Mcleod; Morris, Christopher; Orum, John Christopher; Borozdin, Konstantin N; Sossong, Michael James; Hengartner, Nicolas W

2013-10-08

Systems and methods for charged particle detection including statistical reconstruction of object volume scattering density profiles from charged particle tomographic data to determine the probability distribution of charged particle scattering using a statistical multiple scattering model and determine a substantially maximum likelihood estimate of object volume scattering density using expectation maximization (ML/EM) algorithm to reconstruct the object volume scattering density. The presence of and/or type of object occupying the volume of interest can be identified from the reconstructed volume scattering density profile. The charged particle tomographic data can be cosmic ray muon tomographic data from a muon tracker for scanning packages, containers, vehicles or cargo. The method can be implemented using a computer program which is executable on a computer.

In Situ High-Level Nitrogen Doping into Carbon Nanospheres and Boosting of Capacitive Charge Storage in Both Anode and Cathode for a High-Energy 4.5 V Full-Carbon Lithium-Ion Capacitor.

PubMed

Sun, Fei; Liu, Xiaoyan; Wu, Hao Bin; Wang, Lijie; Gao, Jihui; Li, Hexing; Lu, Yunfeng

2018-05-02

To circumvent the imbalances of electrochemical kinetics and capacity between Li + storage anodes and capacitive cathodes for lithium-ion capacitors (LICs), we herein demonstrate an efficient solution by boosting the capacitive charge-storage contributions of carbon electrodes to construct a high-performance LIC. Such a strategy is achieved by the in situ and high-level doping of nitrogen atoms into carbon nanospheres (ANCS), which increases the carbon defects and active sites, inducing more rapidly capacitive charge-storage contributions for both Li + storage anodes and PF 6 - storage cathodes. High-level nitrogen-doping-induced capacitive enhancement is successfully evidenced by the construction of a symmetric supercapacitor using commercial organic electrolytes. Coupling a pre-lithiated ANCS anode with a fresh ANCS cathode enables a full-carbon LIC with a high operating voltage of 4.5 V and high energy and power densities thereof. The assembled LIC device delivers high energy densities of 206.7 and 115.4 Wh kg -1 at power densities of 0.225 and 22.5 kW kg -1 , respectively, as well as an unprecedented high-power cycling stability with only 0.0013% capacitance decay per cycle within 10 000 cycles at a high power output of 9 kW kg -1 .

Charge Density Quantification of Polyelectrolyte Polysaccharides by Conductometric Titration: An Analytical Chemistry Experiment

ERIC Educational Resources Information Center

Farris, Stefano; Mora, Luigi; Capretti, Giorgio; Piergiovanni, Luciano

2012-01-01

An easy analytical method for determination of the charge density of polyelectrolytes, including polysaccharides and other biopolymers, is presented. The basic principles of conductometric titration, which is used in the pulp and paper industry as well as in colloid and interface science, were adapted to quantify the charge densities of a…

Spacecraft-charging mitigation of a high-power electron beam emitted by a magnetospheric spacecraft: Simple theoretical model for the transient of the spacecraft potential

DOE PAGES

Castello, Federico Lucco; Delzanno, Gian Luca; Borovsky, Joseph E.; ...

2018-05-29

A spacecraft-charging mitigation scheme necessary for the operation of a high-power electron beam in the low-density magnetosphere is analyzed. The scheme is based on a plasma contactor, i.e. a high-density charge-neutral plasma emitted prior to and during beam emission, and its ability to emit high ion currents without strong space-charge limitations. A simple theoretical model for the transient of the spacecraft potential and contactor expansion during beam emission is presented. The model focuses on the contactor ion dynamics and is valid in the limit when the ion contactor current is equal to the beam current. The model is found inmore » very good agreement with Particle-In-Cell simulations over a large parametric study that varies the initial expansion time of the contactor, the contactor current and the ion mass. The model highlights the physics of the spacecraft-charging mitigation scheme, indicating that the most important part of the dynamics is the evolution of the outermost ion front which is pushed away by the charge accumulated in the system by the beam. The model can be also used to estimate the long-time evolution of the spacecraft potential. For a short contactor expansion (0.3 or 0.6 ms Helium plasma or 0.8 ms Argon plasma, both with 1 mA current) it yields a peak spacecraft potential of the order of 1-3 kV. This implies that a 1-mA relativistic electron beam would be easily emitted by the spacecraft.« less

Spacecraft-charging mitigation of a high-power electron beam emitted by a magnetospheric spacecraft: Simple theoretical model for the transient of the spacecraft potential

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

Castello, Federico Lucco; Delzanno, Gian Luca; Borovsky, Joseph E.

A spacecraft-charging mitigation scheme necessary for the operation of a high-power electron beam in the low-density magnetosphere is analyzed. The scheme is based on a plasma contactor, i.e. a high-density charge-neutral plasma emitted prior to and during beam emission, and its ability to emit high ion currents without strong space-charge limitations. A simple theoretical model for the transient of the spacecraft potential and contactor expansion during beam emission is presented. The model focuses on the contactor ion dynamics and is valid in the limit when the ion contactor current is equal to the beam current. The model is found inmore » very good agreement with Particle-In-Cell simulations over a large parametric study that varies the initial expansion time of the contactor, the contactor current and the ion mass. The model highlights the physics of the spacecraft-charging mitigation scheme, indicating that the most important part of the dynamics is the evolution of the outermost ion front which is pushed away by the charge accumulated in the system by the beam. The model can be also used to estimate the long-time evolution of the spacecraft potential. For a short contactor expansion (0.3 or 0.6 ms Helium plasma or 0.8 ms Argon plasma, both with 1 mA current) it yields a peak spacecraft potential of the order of 1-3 kV. This implies that a 1-mA relativistic electron beam would be easily emitted by the spacecraft.« less

The role of surface charge density in cationic liposome-promoted dendritic cell maturation and vaccine-induced immune responses

NASA Astrophysics Data System (ADS)

Ma, Yifan; Zhuang, Yan; Xie, Xiaofang; Wang, Ce; Wang, Fei; Zhou, Dongmei; Zeng, Jianqiang; Cai, Lintao

2011-05-01

Cationic liposomes have emerged as a novel adjuvant and antigen delivery system to enhance vaccine efficacy. However, the role of surface charge density in cationic liposome-regulated immune responses has not yet been elucidated. In the present study, we prepared a series of DOTAP/DOPC cationic liposomes with different surface densities by incorporating varying amounts of DOPC (a neutral lipid) into DOTAP (a cationic lipid). The results showed that DOTAP/DOPC cationic liposome-regulated immune responses relied on the surface charge density, and might occur through ROS signaling. The liposomes with a relatively high charge density, such as DOTAP/DOPC 5 : 0 and 4 : 1 liposomes, potently enhanced dendritic cell maturation, ROS generaion, antigen uptake, as well as the production of OVA-specific IgG2a and IFN-γ. In contrast, low-charge liposomes, such as DOTAP/DOPC 1 : 4 liposome, failed to promote immune responses even at high concentrations, confirming that the immunoregulatory effect of cationic liposomes is mostly attributable to their surface charge density. Moreover, the DOTAP/DOPC 1 : 4 liposome suppressed anti-OVA antibody responses in vivo. Overall, maintaining an appropriate surface charge is crucial for optimizing the adjuvant effect of cationic liposomes and enhancing the efficacy of liposome-based vaccines.

Dental plaque microcosm response to bonding agents containing quaternary ammonium methacrylates with different chain lengths and charge densities

PubMed Central

Zhou, Han; Li, Fang; Weir, Michael D.; Xu, Hockin H.K.

2013-01-01

Objectives Antibacterial bonding agents are promising to combat bacteria and caries at tooth-restoration margins. The objectives of this study were to incorporate new quaternary ammonium methacrylates (QAMs) to bonding agent and determine the effects of alkyl chain length (CL) and quaternary amine charge density on dental plaque microcosm bacteria response for the first time. Methods Six QAMs were synthesized with CL = 3, 6, 9, 12, 16, 18. Each QAM was incorporated into Scotchbond Multi-purpose (SBMP). To determine the charge density effect, dimethylaminododecyl methacrylate (DMAHDM, CL = 16) was mixed into SBMP at mass fraction = 0%, 2.5%, 5%, 7.5%, 10%. Charge density was measured using a fluorescein dye method. Dental plaque microcosm using saliva from ten donors was tested. Bacteria were inoculated on resins. Early-attachment was tested at 4 hours. Biofilm colony-forming units (CFU) were measured at 2 days. Results Incorporating QAMs into SBMP reduced bacteria early-attachment. Microcosm biofilm CFU for CL = 16 was 4 log lower than SBMP control. Charge density of bonding agent increased with DMAHDM content. Bacteria early-attachment decreased with increasing charge density. Biofilm CFU at 10% DMAHDM was reduced by 4 log. The killing effect was similarly-strong against total microorganisms, total streptococci, and mutans streptococci. Conclusions Increasing alkyl chain length and charge density of bonding agent was shown for the first time to decrease microcosm bacteria attachment and reduce biofilm CFU by 4 orders of magnitude. Novel antibacterial resins with tailored chain length and charge density are promising for wide applications in bonding, cements, sealants and composites to inhibit biofilms and caries. PMID:23948394

Dental plaque microcosm response to bonding agents containing quaternary ammonium methacrylates with different chain lengths and charge densities.

PubMed

Zhou, Han; Li, Fang; Weir, Michael D; Xu, Hockin H K

2013-11-01

Antibacterial bonding agents are promising to combat bacteria and caries at tooth-restoration margins. The objectives of this study were to incorporate new quaternary ammonium methacrylates (QAMs) to bonding agent and determine the effects of alkyl chain length (CL) and quaternary amine charge density on dental plaque microcosm bacteria response for the first time. Six QAMs were synthesized with CL=3, 6, 9, 12, 16, 18. Each QAM was incorporated into Scotchbond multi-purpose (SBMP). To determine the charge density effect, dimethylaminododecyl methacrylate (DMAHDM, CL=16) was mixed into SBMP at mass fraction=0%, 2.5%, 5%, 7.5%, 10%. Charge density was measured using a fluorescein dye method. Dental plaque microcosm using saliva from ten donors was tested. Bacteria were inoculated on resins. Early-attachment was tested at 4h. Biofilm colony-forming units (CFU) were measured at 2 days. Incorporating QAMs into SBMP reduced bacteria early-attachment. Microcosm biofilm CFU for CL=16 was 4 log lower than SBMP control. Charge density of bonding agent increased with DMAHDM content. Bacteria early-attachment decreased with increasing charge density. Biofilm CFU at 10% DMAHDM was reduced by 4 log. The killing effect was similarly-strong against total microorganisms, total streptococci, and mutans streptococci. Increasing alkyl chain length and charge density of bonding agent was shown for the first time to decrease microcosm bacteria attachment and reduce biofilm CFU by 4 orders of magnitude. Novel antibacterial resins with tailored chain length and charge density are promising for wide applications in bonding, cements, sealants and composites to inhibit biofilms and caries. Copyright © 2013 Elsevier Ltd. All rights reserved.

Status of the laser ion source at IMP

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

Sha, S.; Graduate University of Chinese Academy of Sciences, Beijing 100049; School of Nuclear science and technology, Lanzhou University, Lanzhou 73000

2012-02-15

A laser (Nd:YAG laser, 3 J, 1064 nm, 8-10 ns) ion source has been built and under development at IMP to provide pulsed high-charge-state heavy ion beams to a radio frequency quadrupole (RFQ) for upgrading the IMP accelerators with a new low-energy beam injector. The laser ion source currently operates in a direct plasma injection scheme to inject the high charge state ions produced from a solid target into the RFQ. The maximum power density on the target was about 8.4 x 10{sup 12} W/cm{sup 2}. The preliminary experimental results will be presented and discussed in this paper.

Polymer space-charge-limited transistor as a solid-state vacuum tube triode

NASA Astrophysics Data System (ADS)

Chao, Yu-Chiang; Ku, Ming-Che; Tsai, Wu-Wei; Zan, Hsiao-Wen; Meng, Hsin-Fei; Tsai, Hung-Kuo; Horng, Sheng-Fu

2010-11-01

We report the construction of a polymer space-charge-limited transistor (SCLT), a solid-state version of vacuum tube triode. The SCLT achieves a high on/off ratio of 3×105 at a low operation voltage of 1.5 V by using high quality insulators both above and below the grid base electrode. Applying a greater bias to the base increases the barrier potential, and turns off the channel current, without introducing a large parasitic leakage current. Simulation result verifies the influence of base bias on channel potential distribution. The output current density is 1.7 mA/cm2 with current gain greater than 1000.

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

PubMed Central

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-01-01

Local surface charge density of lipid membranes influences membrane–protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values. PMID:27561322

Observation of a Charge Density Wave Incommensuration Near the Superconducting Dome in Cu x TiSe 2

DOE PAGES

Kogar, A.; de la Pena, G. A.; Lee, Sangjun; ...

2017-01-11

X-ray diffraction was employed to study the evolution of the charge density wave (CDW) in Cu xTiSe 2 as a function of copper intercalation in order to clarify the relationship between the CDW and superconductivity. In this paper, the results show a CDW incommensuration arising at an intercalation value coincident with the onset of superconductivity at around x = 0.055(5) . Additionally, it was found that the charge density wave persists to higher intercalant concentrations than previously assumed, demonstrating that the CDW does not terminate inside the superconducting dome. A charge density wave peak was observed in samples up tomore » x = 0.091(6) , the highest copper concentration examined in this study. Lastly, the phase diagram established in this work suggests that charge density wave incommensuration may play a role in the formation of the superconducting state.« less

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

NASA Astrophysics Data System (ADS)

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-08-01

Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy.

PubMed

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-08-26

Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

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.

High-temperature charge density wave correlations in La1.875Ba0.125CuO4 without spin–charge locking

PubMed Central

Lorenzana, J.; Seibold, G.; Peng, Y. Y.; Amorese, A.; Yakhou-Harris, F.; Kummer, K.; Brookes, N. B.; Konik, R. M.; Thampy, V.; Gu, G. D.; Ghiringhelli, G.; Braicovich, L.

2017-01-01

Although all superconducting cuprates display charge-ordering tendencies, their low-temperature properties are distinct, impeding efforts to understand the phenomena within a single conceptual framework. While some systems exhibit stripes of charge and spin, with a locked periodicity, others host charge density waves (CDWs) without any obviously related spin order. Here we use resonant inelastic X-ray scattering to follow the evolution of charge correlations in the canonical stripe-ordered cuprate La1.875Ba0.125CuO4 across its ordering transition. We find that high-temperature charge correlations are unlocked from the wavevector of the spin correlations, signaling analogies to CDW phases in various other cuprates. This indicates that stripe order at low temperatures is stabilized by the coupling of otherwise independent charge and spin density waves, with important implications for the relation between charge and spin correlations in the cuprates. PMID:29114049

Synthesis of Ni/Graphene Nanocomposite for Hydrogen Storage.

PubMed

Zhou, Chunyu; Szpunar, Jerzy A; Cui, Xiaoyu

2016-06-22

We have designed a Ni-graphene composite for hydrogen storage with Ni nanoparticles of 10 nm in size, uniformly dispersed over a graphene substrate. This system exhibits attractive features like high gravimetric density, ambient conditions, and low activation temperature for hydrogen release. When charged at room temperature and an atmospheric hydrogen pressure of 1 bar, it could yield a hydrogen capacity of 0.14 wt %. When hydrogen pressure increased to 60 bar, the sorbent had a hydrogen gravimetric density of 1.18 wt %. The hydrogen release could occur at an operating temperature below 150 °C and completes at 250 °C.

Molecular simulation study of feruloyl esterase adsorption on charged surfaces: effects of surface charge density and ionic strength.

PubMed

Liu, Jie; Peng, Chunwang; Yu, Gaobo; Zhou, Jian

2015-10-06

The surrounding conditions, such as surface charge density and ionic strength, play an important role in enzyme adsorption. The adsorption of a nonmodular type-A feruloyl esterase from Aspergillus niger (AnFaeA) on charged surfaces was investigated by parallel tempering Monte Carlo (PTMC) and all-atom molecular dynamics (AAMD) simulations at different surface charge densities (±0.05 and ±0.16 C·m(-2)) and ionic strengths (0.007 and 0.154 M). The adsorption energy, orientation, and conformational changes were analyzed. Simulation results show that whether AnFaeA can adsorb onto a charged surface is mainly controlled by electrostatic interactions between AnFaeA and the charged surface. The electrostatic interactions between AnFaeA and charged surfaces are weakened when the ionic strength increases. The positively charged surface at low surface charge density and high ionic strength conditions can maximize the utilization of the immobilized AnFaeA. The counterion layer plays a key role in the adsorption of AnFaeA on the negatively charged COOH-SAM. The native conformation of AnFaeA is well preserved under all of these conditions. The results of this work can be used for the controlled immobilization of AnFaeA.

Chirality and orbital order in charge density waves

NASA Astrophysics Data System (ADS)

van Wezel, Jasper

2011-12-01

Helical arrangements of spins are common among magnetic materials. The first material to harbor a corkscrew pattern of charge density, on the other hand, was discovered only very recently. The nature of the order parameter is of key relevance, since rotating a magnetic vector around any propagation vector trivially yields a helical pattern. In contrast, the purely scalar charge density cannot straightforwardly support a chiral state. Here we use a Landau order parameter analysis to resolve this paradox, and show that the chiral charge order may be understood as a form of orbital ordering. We discuss the microscopic mechanism driving the transition and show it to be of a general form, thus allowing for a broad class of materials to display this novel type of orbital-ordered chiral charge density wave.

Nanoporous metal/oxide hybrid electrodes for electrochemical supercapacitors

NASA Astrophysics Data System (ADS)

Lang, Xingyou; Hirata, Akihiko; Fujita, Takeshi; Chen, Mingwei

2011-04-01

Electrochemical supercapacitors can deliver high levels of electrical power and offer long operating lifetimes, but their energy storage density is too low for many important applications. Pseudocapacitive transition-metal oxides such as MnO2 could be used to make electrodes in such supercapacitors, because they are predicted to have a high capacitance for storing electrical charge while also being inexpensive and not harmful to the environment. However, the poor conductivity of MnO2 (10-5-10-6 S cm-1) limits the charge/discharge rate for high-power applications. Here, we show that hybrid structures made of nanoporous gold and nanocrystalline MnO2 have enhanced conductivity, resulting in a specific capacitance of the constituent MnO2 (~1,145 F g-1) that is close to the theoretical value. The nanoporous gold allows electron transport through the MnO2, and facilitates fast ion diffusion between the MnO2 and the electrolytes while also acting as a double-layer capacitor. The high specific capacitances and charge/discharge rates offered by such hybrid structures make them promising candidates as electrodes in supercapacitors, combining high-energy storage densities with high levels of power delivery.

Nanoporous metal/oxide hybrid electrodes for electrochemical supercapacitors.

PubMed

Lang, Xingyou; Hirata, Akihiko; Fujita, Takeshi; Chen, Mingwei

2011-04-01

Electrochemical supercapacitors can deliver high levels of electrical power and offer long operating lifetimes, but their energy storage density is too low for many important applications. Pseudocapacitive transition-metal oxides such as MnO(2) could be used to make electrodes in such supercapacitors, because they are predicted to have a high capacitance for storing electrical charge while also being inexpensive and not harmful to the environment. However, the poor conductivity of MnO(2) (10(-5)-10(-6) S cm(-1)) limits the charge/discharge rate for high-power applications. Here, we show that hybrid structures made of nanoporous gold and nanocrystalline MnO(2) have enhanced conductivity, resulting in a specific capacitance of the constituent MnO(2) (~1,145 F g(-1)) that is close to the theoretical value. The nanoporous gold allows electron transport through the MnO(2), and facilitates fast ion diffusion between the MnO(2) and the electrolytes while also acting as a double-layer capacitor. The high specific capacitances and charge/discharge rates offered by such hybrid structures make them promising candidates as electrodes in supercapacitors, combining high-energy storage densities with high levels of power delivery.

Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers

NASA Astrophysics Data System (ADS)

Specht, Judith F.; Verdenhalven, Eike; Bieniek, Björn; Rinke, Patrick; Knorr, Andreas; Richter, Marten

2018-04-01

The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on Förster-type nonradiative excitation transfer between the organic and inorganic layers and include quasimomentum conservation and intermolecular coupling between the molecules in the organic film. (Transition) partial charges calculated from density-functional theory are used to calculate the coupling elements. The partial charges describe the spatial charge distribution and go beyond the common dipole-dipole interaction. We find that the transfer rates are highly sensitive to variations in the geometry of the hybrid inorganic-organic system. For instance, the transfer efficiency is improved by up to 2 orders of magnitude by tuning the spatial arrangement of the molecules on the surface: Parameters of importance are the molecular packing density along the effective molecular dipole axis and the distance between the molecules and the surface. We also observe that the device performance strongly depends on the orientation of the molecular dipole moments relative to the substrate dipole moments determined by the inorganic crystal structure. Moreover, the operating regime is identified where inscattering dominates over unwanted backscattering from the molecular layer into the substrate.

A Flexible Integrated System Containing a Microsupercapacitor, a Photodetector, and a Wireless Charging Coil.

PubMed

Yue, Yang; Yang, Zhichun; Liu, Nishuang; Liu, Weijie; Zhang, Hui; Ma, Yanan; Yang, Congxing; Su, Jun; Li, Luying; Long, Fei; Zou, Zhengguang; Gao, Yihua

2016-12-27

Nowadays, the integrated systems on a plane substrate containing energy harvesting, energy storing, and working units are strongly desired with the fast development of wearable and portable devices. Here, a simple, low cost, and scalable strategy involving ink printing and electrochemical deposition is proposed to fabricate a flexible integrated system on a plane substrate containing an all-solid-state asymmetric microsupercapacitor (MSC), a photoconduct-type photodetector of perovskite nanowires (NWs), and a wireless charging coil. In the asymmetric MSCs, MnO 2 -PPy and V 2 O 5 -PANI composites are used as positive and negative electrodes, respectively. Typical values of energy density in the range of 15-20 mWh cm -3 at power densities of 0.3-2.5 W cm -3 with an operation potential window of 1.6 V are achieved. In the system, the wireless charging coil receives energy from a wireless power transmitter, which then can be stored in the MSC to drive the photoconductive detector of perovskite NWs in sequence. The designed integrated system exhibits a stable photocurrent response comparable with the detector driven by an external power source. This research provides an important routine to fabricate integrated systems.

Charged anisotropic matter with linear or nonlinear equation of state

NASA Astrophysics Data System (ADS)

Varela, Victor; Rahaman, Farook; Ray, Saibal; Chakraborty, Koushik; Kalam, Mehedi

2010-08-01

Ivanov pointed out substantial analytical difficulties associated with self-gravitating, static, isotropic fluid spheres when pressure explicitly depends on matter density. Simplifications achieved with the introduction of electric charge were noticed as well. We deal with self-gravitating, charged, anisotropic fluids and get even more flexibility in solving the Einstein-Maxwell equations. In order to discuss analytical solutions we extend Krori and Barua’s method to include pressure anisotropy and linear or nonlinear equations of state. The field equations are reduced to a system of three algebraic equations for the anisotropic pressures as well as matter and electrostatic energy densities. Attention is paid to compact sources characterized by positive matter density and positive radial pressure. Arising solutions satisfy the energy conditions of general relativity. Spheres with vanishing net charge contain fluid elements with unbounded proper charge density located at the fluid-vacuum interface. Notably the electric force acting on these fluid elements is finite, although the acting electric field is zero. Net charges can be huge (1019C) and maximum electric field intensities are very large (1023-1024statvolt/cm) even in the case of zero net charge. Inward-directed fluid forces caused by pressure anisotropy may allow equilibrium configurations with larger net charges and electric field intensities than those found in studies of charged isotropic fluids. Links of these results with charged strange quark stars as well as models of dark matter including massive charged particles are highlighted. The van der Waals equation of state leading to matter densities constrained by cubic polynomial equations is briefly considered. The fundamental question of stability is left open.

Charge properties and bacterial contact-killing of hyperbranched polyurea-polyethyleneimine coatings with various degrees of alkylation

NASA Astrophysics Data System (ADS)

Roest, Steven; van der Mei, Henny C.; Loontjens, Ton J. A.; Busscher, Henk J.

2015-11-01

Coatings of immobilized-quaternary-ammonium-ions (QUAT) uniquely kill adhering bacteria upon contact. QUAT-coatings require a minimal cationic-charge surface density for effective contact-killing of adhering bacteria of around 1014 cm-2. Quaternization of nitrogen is generally achieved through alkylation. Here, we investigate the contribution of additional alkylation with methyl-iodide to the cationic-charge density of hexyl-bromide alkylated, hyperbranched polyurea-polyethyleneimine coatings measuring charge density with fluorescein staining. X-ray-photoelectron-spectroscopy was used to determine the at.% alkylated-nitrogen. Also streaming potentials, water contact-angles and bacterial contact-killing were measured. Cationic-charge density increased with methyl-iodide alkylation times up to 18 h, accompanied by an increase in the at.% alkylated-nitrogen. Zeta-potentials became more negative upon alkylation as a result of shielding of cationiccharges by hydrophobic alkyl-chains. Contact-killing of Gram-positive Staphylococci only occurred when the cationic-charge density exceeded 1016 cm-2 and was carried by alkylated-nitrogen (electron-binding energy 401.3 eV). Gram-negative Escherichia coli was not killed upon contact with the coatings. There with this study reveals that cationic-charge density is neither appropriate nor sufficient to determine the ability of QUAT-coatings to kill adhering bacteria. Alternatively, the at.% of alkylated-nitrogen at 401.3 eV is proposed, as it reflects both cationic-charge and its carrier. The at.% N401.3 eV should be above 0.45 at.% for Gram-positive bacterial contact-killing.

Characteristics of spacecraft charging in low Earth orbit

NASA Astrophysics Data System (ADS)

Anderson, Phillip C.

2012-07-01

It has been found that the DMSP spacecraft at 840 km can charge to very large negative voltages (up to -2000 V) when encountering intense precipitating electron events (auroral arcs). We present an 11-year study of over 1600 charging events, defined as when the spacecraft charged to levels exceeding 100 V negative during an auroral crossing. The occurrence frequency of events was highly correlated with the 11-year solar cycle with the largest number of events occurring during solar minimum. This was due to the requirement that the background thermal plasma density be low, at most 104 cm-3. During solar maximum, the plasma density is typically well above that level due to the solar EUV ionizing radiation, and although the occurrence frequency of auroral arcs is considerably greater than at solar minimum, the occurrence of high-level charging is minimal. As a result of this study, we produced a model spectrum for precipitating electrons that can be used as a specification for the low-altitude auroral charging environment. There are implications from this study on a number of LEO satellite programs, including the International Space Station, which does enter the auroral zone, particularly during geomagnetic activity when the auroral boundary can penetrate to very low latitudes. The plasma density in the ISS orbit is usually well above the minimum required density for charging. However, in the wake of the ISS, the plasma density can be 2 orders of magnitude or more lower than the background density and thus conditions are ripe for charging.

Study of ND3-enhanced MAR processes in D2-N2 plasmas to induce plasma detachment

NASA Astrophysics Data System (ADS)

Abe, Shota; Chakraborty Thakur, Saikat; Doerner, Russ; Tynan, George

2017-10-01

The Molecular Assisted Recombination (MAR) process is thought to be a main channel of volumetric recombination to induce the plasma detachment operation. Authors have focused on a new plasma recombination process supported by ammonia molecules, which will be formed by impurity seeding of N2 for controlling divertor plasma temperature and heat loads in ITER. This ammonia-enhanced MAR process would occur throughout two steps. In this study, the first step of the new MAR process is investigated in low density plasmas (Ne 1016 m-3, Te 4 eV) fueled by D2 and N2. Ion and neutral densities are measured by a calibrated Electrostatic Quadrupole Plasma (EQP) analyzer, combination of an ion energy analyzer and mass spectrometer. The EQP shows formation of ND3 during discharges. Ion densities calculated by a rate equation model are compared with experimental results. We find that the model can reproduce the observed ion densities in the plasma. The model calculation shows that the dominant neutralization channel of Dx+(x =1-3) ions in the volume is the formation of NDy+(y =3 or 4) throughout charge/D+ exchange reactions with ND3. Furthermore, high density plasmas (Ne 1016 m-3) have been achieved to investigate electron-impact dissociative recombination processes of formed NDy+,which is the second step of this MAR process.

Femtosecond x rays link melting of charge-density wave correlations and light-enhanced coherent transport in YB a 2 C u 3 O 6.6

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

Först, M.; Frano, A.; Kaiser, S.

2014-11-17

In this study, we use femtosecond resonant soft x-ray diffraction to measure the optically stimulated ultrafast changes of charge density wave correlations in underdoped YBa₂Cu₃O₆.₆. We find that when coherent interlayer transport is enhanced by optical excitation of the apical oxygen distortions, at least 50% of the in-plane charge density wave order is melted. These results indicate that charge ordering and superconductivity may be competing up to the charge ordering transition temperature, with the latter becoming a hidden phase that is accessible only by nonlinear phonon excitation.

Child-Langmuir flow in a planar diode filled with charged dust impurities

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

Tang Xiaoyan; Institut fuer Theoretische Physik IV, Fakultaet fuer Physik und Astronomie, Ruhr-Universitaet Bochum, D-44870 Bochum; Shukla, Padma Kant

The Child-Langmuir (CL) flow in a planar diode in the presence of stationary charged dust particles is studied. The limiting electron current density and other diode properties, such as the electrostatic potential, the electron flow speed, and the electron number density, are calculated analytically. A comparison of the results with the case without dust impurities reveals that the diode parameters mentioned above decrease with the increase of the dust charge density. Furthermore, it is found that the classical scaling of D{sup -2} (the gap spacing D) for the CL current density remains exactly valid, while the scaling of V{sup 3/2}more » (the applied gap voltage V) can be a good approximation for low applied gap voltage and for low dust charge density.« less

Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations.

PubMed

Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg

2017-05-09

A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.

Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources

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

Odorici, F., E-mail: fabrizio.odorici@bo.infn.it; Malferrari, L.; Montanari, A.

Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to “screen” the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used,more » as explained by plasma diffusion models.« less

Correlation Between the Extent of Catalytic Activity and Charge Density of Montmorillonites

PubMed Central

Steudel, Annett; Emmerich, Katja; Lagaly, Gerhard; Schuhmann, Rainer

2010-01-01

Abstract The clay mineral montmorillonite is a member of the phyllosilicate group of minerals, which has been detected on martian soil. Montmorillonite catalyzes the condensation of activated monomers to form RNA-like oligomers. Extent of catalysis, that is, the yield of oligomers, and the length of the longest oligomer formed in these reactions widely varies with the source of montmorillonite (i.e., the locality where the mineral is mined). This study was undertaken to establish whether there exists a correlation between the extent of catalytic property and the charge density of montmorillonites. Charge density was determined by saturating the montmorillonites with alkyl ammonium cations that contained increasing lengths of alkyl chains, [CH3-(CH2)n-NH3]+, where n = 3–16 and 18, and then measuring d(001), interlayer spacing of the resulting montmorillonite-alkyl ammonium-montmorillonite complex by X-ray diffractometry (XRD). Results demonstrate that catalytic activity of montmorillonites with lower charge density is superior to that of higher charge density montmorillonite. They produce longer oligomers that contain 9 to 10 monomer units, while montmorillonite with high charge density catalyzes the formation of oligomers that contain only 4 monomer units. The charge density of montmorillonites can also be calculated from the chemical composition if elemental analysis data of the pure mineral are available. In the next mission to Mars, CheMin (Chemistry and Mineralogy), a combined X-ray diffraction/X-ray fluorescence instrument, will provide information on the mineralogical and elemental analysis of the samples. Possible significance of these results for planning the future missions to Mars for the search of organic compounds and extinct or extant life is discussed. Key Words: Mars—Origin of life—Montmorillonite—Mineral catalysis—Layer charge density—X–ray diffractometry. Astrobiology 10, 743–749. PMID:20854214

SevenOperators, a Mathematica script for harmonic oscillator nuclear matrix elements arising in semileptonic electroweak interactions

NASA Astrophysics Data System (ADS)

Haxton, Wick; Lunardini, Cecilia

2008-09-01

Semi-leptonic electroweak interactions in nuclei—such as β decay, μ capture, charged- and neutral-current neutrino reactions, and electron scattering—are described by a set of multipole operators carrying definite parity and angular momentum, obtained by projection from the underlying nuclear charge and three-current operators. If these nuclear operators are approximated by their one-body forms and expanded in the nucleon velocity through order |p→|/M, where p→ and M are the nucleon momentum and mass, a set of seven multipole operators is obtained. Nuclear structure calculations are often performed in a basis of Slater determinants formed from harmonic oscillator orbitals, a choice that allows translational invariance to be preserved. Harmonic-oscillator single-particle matrix elements of the multipole operators can be evaluated analytically and expressed in terms of finite polynomials in q, where q is the magnitude of the three-momentum transfer. While results for such matrix elements are available in tabular form, with certain restriction on quantum numbers, the task of determining the analytic form of a response function can still be quite tedious, requiring the folding of the tabulated matrix elements with the nuclear density matrix, and subsequent algebra to evaluate products of operators. Here we provide a Mathematica script for generating these matrix elements, which will allow users to carry out all such calculations by symbolic manipulation. This will eliminate the errors that may accompany hand calculations and speed the calculation of electroweak nuclear cross sections and rates. We illustrate the use of the new script by calculating the cross sections for charged- and neutral-current neutrino scattering in 12C. Program summaryProgram title: SevenOperators Catalogue identifier: AEAY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAY_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.: 2227 No. of bytes in distributed program, including test data, etc.: 19 382 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer running Mathematica; tested on Mac OS X PowerPC (32-bit) running Mathematica 6.0.0 Operating system: Any running Mathematica RAM: Memory requirements determined by Mathematica; 512 MB or greater RAM and hard drive space of at least 3.0 GB recommended Classification: 17.16, 17.19 Nature of problem: Algebraic evaluation of harmonic oscillator nuclear matrix elements for the one-body multipole operators governing semi-leptonic weak interactions, such as charged- or neutral-current neutrino scattering off nuclei. Solution method: Mathematica evaluation of associated angular momentum algebra and spherical Bessel function radial integrals. Running time: Depends on the complexity of the one-body density matrix employed, but times of a few seconds are typical.

Kapton charging characteristics: Effects of material thickness and electron-energy distribution

NASA Technical Reports Server (NTRS)

Williamson, W. S.; Dulgeroff, C. R.; Hymann, J.; Viswanathan, R.

1985-01-01

Charging characteristics of polyimide (Kapton) of varying thicknesses under irradiation by a very-low-curent-density electron beam, with the back surface of the sample grounded are reported. These charging characteristics are in good agreement with a simple analytical model which predicts that in thin samples at low current density, sample surface potential is limited by conduction leakage through the bulk material. The charging of Kapton in a low-current-density electron beam in which the beam energy was modulated to simulate Maxwellian and biMaxwellian distribution functions is measured.

Enhanced coherent oscillations in the superconducting state of underdoped YB a 2 C u 3 O 6 + x induced via ultrafast terahertz excitation

DOE PAGES

Dakovski, Georgi L.; Lee, Wei -Sheng; Hawthorn, David G.; ...

2015-06-24

We utilize intense, single-cycle terahertz pulses to induce collective excitations in the charge-density-wave-ordered underdoped cuprate YBa 2Cu 3O 6+x. These excitations manifest themselves as pronounced coherent oscillations of the optical reflectivity in the transient state, accompanied by minimal incoherent quasiparticle relaxation dynamics. The oscillations occur at frequencies consistent with soft phonon energies associated with the charge-density-wave, but vanish above the superconducting transition temperature rather than that at the charge-density-wave transition. These results indicate an intimate relationship of the terahertz excitation with the underlying charge-density-wave and the superconducting condensate itself.

Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling.

PubMed

Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero

2017-08-01

The possibility to determine electron-density distribution in crystals has been an enormous breakthrough, stimulated by a favourable combination of equipment for X-ray and neutron diffraction at low temperature, by the development of simplified, though accurate, electron-density models refined from the experimental data and by the progress in charge density analysis often in combination with theoretical work. Many years after the first successful charge density determination and analysis, scientists face new challenges, for example: (i) determination of the finer details of the electron-density distribution in the atomic cores, (ii) simultaneous refinement of electron charge and spin density or (iii) measuring crystals under perturbation. In this context, the possibility of obtaining experimental charge density at high pressure has recently been demonstrated [Casati et al. (2016). Nat. Commun. 7, 10901]. This paper reports on the necessities and pitfalls of this new challenge, focusing on the species syn-1,6:8,13-biscarbonyl[14]annulene. The experimental requirements, the expected data quality and data corrections are discussed in detail, including warnings about possible shortcomings. At the same time, new modelling techniques are proposed, which could enable specific information to be extracted, from the limited and less accurate observations, like the degree of localization of double bonds, which is fundamental to the scientific case under examination.

An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles

PubMed Central

Ahn, Yongjun; Yeo, Hwasoo

2015-01-01

The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC) stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station’s density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive adoption of electric vehicles. PMID:26575845

High-temperature charge density wave correlations in La 1.875Ba 0.125CuO 4 without spin–charge locking

DOE PAGES

Miao, H.; Lorenzana, J.; Seibold, G.; ...

2017-11-07

Although all superconducting cuprates display charge-ordering tendencies, their low-temperature properties are distinct, impeding efforts to understand the phenomena within a single conceptual framework. While some systems exhibit stripes of charge and spin, with a locked periodicity, others host charge density waves (CDWs) without any obviously related spin order. Here we use resonant inelastic X-ray scattering to follow the evolution of charge correlations in the canonical stripe-ordered cuprate La 1.875Ba 0.125CuO 4 across its ordering transition. We find that high-temperature charge correlations are unlocked from the wavevector of the spin correlations, signaling analogies to CDW phases in various other cuprates. Thismore » indicates that stripe order at low temperatures is stabilized by the coupling of otherwise independent charge and spin density waves, with important implications for the relation between charge and spin correlations in the cuprates.« less

High-temperature charge density wave correlations in La 1.875Ba 0.125CuO 4 without spin–charge locking

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

Miao, H.; Lorenzana, J.; Seibold, G.

Although all superconducting cuprates display charge-ordering tendencies, their low-temperature properties are distinct, impeding efforts to understand the phenomena within a single conceptual framework. While some systems exhibit stripes of charge and spin, with a locked periodicity, others host charge density waves (CDWs) without any obviously related spin order. Here we use resonant inelastic X-ray scattering to follow the evolution of charge correlations in the canonical stripe-ordered cuprate La 1.875Ba 0.125CuO 4 across its ordering transition. We find that high-temperature charge correlations are unlocked from the wavevector of the spin correlations, signaling analogies to CDW phases in various other cuprates. Thismore » indicates that stripe order at low temperatures is stabilized by the coupling of otherwise independent charge and spin density waves, with important implications for the relation between charge and spin correlations in the cuprates.« less

Emergence of charge density waves and a pseudogap in single-layer TiTe2.

PubMed

Chen, P; Pai, Woei Wu; Chan, Y-H; Takayama, A; Xu, C-Z; Karn, A; Hasegawa, S; Chou, M Y; Mo, S-K; Fedorov, A-V; Chiang, T-C

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermi level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.Due to reduced dimensionality, the properties of 2D materials are often different from their 3D counterparts. Here, the authors identify the emergence of a unique charge density wave (CDW) order in monolayer TiTe 2 that challenges the current understanding of CDW formation.

Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions.

PubMed

Yu, Yang-Xin; Wu, Jianzhong; Gao, Guang-Hua

2004-04-15

A density-functional theory is proposed to describe the density profiles of small ions around an isolated colloidal particle in the framework of the restricted primitive model where the small ions have uniform size and the solvent is represented by a dielectric continuum. The excess Helmholtz energy functional is derived from a modified fundamental measure theory for the hard-sphere repulsion and a quadratic functional Taylor expansion for the electrostatic interactions. The theoretical predictions are in good agreement with the results from Monte Carlo simulations and from previous investigations using integral-equation theory for the ionic density profiles and the zeta potentials of spherical particles at a variety of solution conditions. Like the integral-equation approaches, the density-functional theory is able to capture the oscillatory density profiles of small ions and the charge inversion (overcharging) phenomena for particles with elevated charge density. In particular, our density-functional theory predicts the formation of a second counterion layer near the surface of highly charged spherical particle. Conversely, the nonlinear Poisson-Boltzmann theory and its variations are unable to represent the oscillatory behavior of small ion distributions and charge inversion. Finally, our density-functional theory predicts charge inversion even in a 1:1 electrolyte solution as long as the salt concentration is sufficiently high. (c) 2004 American Institute of Physics.

Effects of low charge injection densities on corrosion responses of pulsed 316LVM stainless steel electrodes.

PubMed

Riedy, L W; Walter, J S

1996-06-01

The safe charge injection density for pulsing of 316LVM electrodes has been reported to be 40 microC/cm2. However, only 20 microC/cm2 is available for nonfaradic charge transfer and double layer charge injection. Therefore, we evaluated long term pulsing at 20 microC/cm2 with capacitor coupling.

Polysaccharide/Surfactant complexes at the air-water interface - effect of the charge density on interfacial and foaming behaviors.

PubMed

Ropers, M H; Novales, B; Boué, F; Axelos, M A V

2008-11-18

The binding of a cationic surfactant (hexadecyltrimethylammonium bromide, CTAB) to a negatively charged natural polysaccharide (pectin) at air-solution interfaces was investigated on single interfaces and in foams, versus the linear charge densities of the polysaccharide. Besides classical methods to investigate polymer/surfactant systems, we applied, for the first time concerning these systems, the analogy between the small angle neutron scattering by foams and the neutron reflectivity of films to measure in situ film thicknesses of foams. CTAB/pectin foam films are much thicker than the pure surfactant foam film but similar for high- and low-charged pectin/CTAB systems despite the difference in structure of complexes at interfaces. The improvement of the foam properties of CTAB bound to pectin is shown to be directly related to the formation of pectin-CTAB complexes at the air-water interface. However, in opposition to surface activity, there is no specific behavior for the highly charged pectin: foam properties depend mainly upon the bulk charge concentration, while the interfacial behavior is mainly governed by the charge density of pectin. For the highly charged pectin, specific cooperative effects between neighboring charged sites along the chain are thought to be involved in the higher surface activity of pectin/CTAB complexes. A more general behavior can be obtained at lower charge density either by using a low-charged pectin or by neutralizing the highly charged pectin in decreasing pH.

Carbonate-periplatform sedimentation by density flows: A mechanism for rapid off-bank and vertical transport of shallow-water fines

USGS Publications Warehouse

Wilson, P.A.; Roberts, Harry H.

1993-01-01

Existing theories of off-bank sediment transport cannot account for rapid rates of sedimentation observed in Bahama bank and Florida shelf periplatform environments. Analysis of the physical processes operating during winter cold fronts suggests that accelerated off-bank transport of shallow-water mud may be achieved by sinking off-bank flows of sediment-charged hyperpycnal (super-dense) platform waters.

Experimental study of electrostatic discharges of spacecraft solar array protective coatings under radiation

NASA Astrophysics Data System (ADS)

Khasanshin, Rashid; Novikov, Lev

Action of charged particles on low-conductive dielectrics causes formation of areas with a high charge density inside; their fields may give rise to development of electrostatic discharge between the charged area and the surface of the dielectric. Discharge channels are growing due to breakdown of dielectric and formation of a conducting phase. Generation of the channels is a complex stochastic process accompanied by such physical and chemical processes as ionization, gas formation, heating, and so on, which cause formation of conducting phase in a glass. That is why no quantitative theory describing formation of conductive channels has been formulated yet. The study of electrostatic discharges in dielectrics under radiation is essential both from a scientific point of view and for the solution of applied problems. In particular, interaction of a spacecraft with ambient plasma causes accumulation of electric charges on its surface producing, as a consequence, electric potential between the spacecraft surface and the plasma. For example, potentials on the surface of satellites operating on a geostationary orbit reach up to 20 kV. Elec-trostatic discharges caused by such potentials can produce not only the considerable electromag-netic interference, but also lead to the destruction of hardware components and structural ele-ments. Electrostatic charging due to electrons from the Earth’s radiation belts causes degradation of solar arrays as a result of surface and internal electrostatic discharges. In the work, surface of K-208 spacecraft solar array protective coatings irradiated by 20 and 40 keV electrons and protons has studied using by AFM methods. Traces of electrostatic dis-charges at different radiation flux densities were analyzed.

High-Performance Asymmetric Supercapacitors of MnCo2O4 Nanofibers and N-Doped Reduced Graphene Oxide Aerogel.

PubMed

Pettong, Tanut; Iamprasertkun, Pawin; Krittayavathananon, Atiweena; Sukha, Phansiri; Sirisinudomkit, Pichamon; Seubsai, Anusorn; Chareonpanich, Metta; Kongkachuichay, Paisan; Limtrakul, Jumras; Sawangphruk, Montree

2016-12-14

The working potential of symmetric supercapacitors is not so wide because one type of material used for the supercapacitor electrodes prefers either positive or negative charge to both charges. To address this problem, a novel asymmetrical supercapacitor (ASC) of battery-type MnCo 2 O 4 nanofibers (NFs)//N-doped reduced graphene oxide aerogel (N-rGO AE ) was fabricated in this work. The MnCo 2 O 4 NFs at the positive electrode store the negative charges, i.e., solvated OH - , while the N-rGO AE at the negative electrode stores the positive charges, i.e., solvated K + . An as-fabricated aqueous-based MnCo 2 O 4 //N-rGO AE ASC device can provide a wide operating potential of 1.8 V and high energy density and power density at 54 W h kg -1 and 9851 W kg -1 , respectively, with 85.2% capacity retention over 3000 cycles. To understand the charge storage reaction mechanism of the MnCo 2 O 4 , the synchrotron-based X-ray absorption spectroscopy (XAS) technique was also used to determine the oxidation states of Co and Mn at the MnCo 2 O 4 electrode after being electrochemically tested. The oxidation number of Co is oxidized from +2.76 to +2.85 after charging and reduced back to +2.75 after discharging. On the other hand, the oxidation state of Mn is reduced from +3.62 to +3.44 after charging and oxidized to +3.58 after discharging. Understanding in the oxidation states of Co and Mn at the MnCo 2 O 4 electrode here leads to the awareness of the uncertain charge storage mechanism of the spinel-type oxide materials. High-performance ASC here in this work may be practically used in high-power applications.

Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge

NASA Astrophysics Data System (ADS)

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-01

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm2, the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.

Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge.

PubMed

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-19

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm 2 , the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.

Modeling Ionosphere Environments: Creating an ISS Electron Density Tool

NASA Technical Reports Server (NTRS)

Gurgew, Danielle N.; Minow, Joseph I.

2011-01-01

The International Space Station (ISS) maintains an altitude typically between 300 km and 400 km in low Earth orbit (LEO) which itself is situated in the Earth's ionosphere. The ionosphere is a region of partially ionized gas (plasma) formed by the photoionization of neutral atoms and molecules in the upper atmosphere of Earth. It is important to understand what electron density the spacecraft is/will be operating in because the ionized gas along the ISS orbit interacts with the electrical power system resulting in charging of the vehicle. One instrument that is already operational onboard the ISS with a goal of monitoring electron density, electron temperature, and ISS floating potential is the Floating Potential Measurement Unit (FPMU). Although this tool is a valuable addition to the ISS, there are limitations concerning the data collection periods. The FPMU uses the Ku band communication frequency to transmit data from orbit. Use of this band for FPMU data runs is often terminated due to necessary observation of higher priority Extravehicular Activities (EVAs) and other operations on ISS. Thus, large gaps are present in FPMU data. The purpose of this study is to solve the issue of missing environmental data by implementing a secondary electron density data source, derived from the COSMIC satellite constellation, to create a model of ISS orbital environments. Extrapolating data specific to ISS orbital altitudes, we model the ionospheric electron density along the ISS orbit track to supply a set of data when the FPMU is unavailable. This computer model also provides an additional new source of electron density data that is used to confirm FPMU is operating correctly and supplements the original environmental data taken by FPMU.

Extraction of sub-gap density of states via capacitance-voltage measurement for the erasing process in a TFT charge-trapping memory

NASA Astrophysics Data System (ADS)

Chiang, Yen-Chang; Hsiao, Yang-Hsuan; Li, Jeng-Ting; Chen, Jen-Sue

2018-02-01

Charge-trapping memories (CTMs) based on zinc tin oxide (ZTO) semiconductor thin-film transistors (TFTs) can be programmed by a positive gate voltage and erased by a negative gate voltage in conjunction with light illumination. To understand the mechanism involved, the sub-gap density of states associated with ionized oxygen vacancies in the ZTO active layer is extracted from optical response capacitance-voltage (C-V) measurements. The corresponding energy states of ionized oxygen vacancies are observed below the conduction band minimum at approximately 0.5-1.0 eV. From a comparison of the fitted oxygen vacancy concentration in the CTM-TFT after the light-bias erasing operation, it is found that the pristine-erased device contains more oxygen vacancies than the program-erased device because the trapped electrons in the programmed device are pulled into the active layer and neutralized by the oxygen vacancies that are present there.

Room temperature deintercalation of alkali metal atoms from epitaxial graphene by formation of charge-transfer complexes

NASA Astrophysics Data System (ADS)

Shin, H.-C.; Ahn, S. J.; Kim, H. W.; Moon, Y.; Rai, K. B.; Woo, S. H.; Ahn, J. R.

2016-08-01

Atom (or molecule) intercalations and deintercalations have been used to control the electronic properties of graphene. In general, finite energies above room temperature (RT) thermal energy are required for the intercalations and deintercalations. Here, we demonstrate that alkali metal atoms can be deintercalated from epitaxial graphene on a SiC substrate at RT, resulting in the reduction in density of states at the Fermi level. The change in density of states at the Fermi level at RT can be applied to a highly sensitive graphene sensor operating at RT. Na atoms, which were intercalated at a temperature of 80 °C, were deintercalated at a high temperature above 1000 °C when only a thermal treatment was used. In contrast to the thermal treatment, the intercalated Na atoms were deintercalated at RT when tetrafluorotetracyanoquinodimethane (F4-TCNQ) molecules were adsorbed on the surface. The RT deintercalation occurred via the formation of charge-transfer complexes between Na atoms and F4-TCNQ molecules.

47 CFR 69.123 - Density pricing zones for special access and switched transport.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 3 2010-10-01 2010-10-01 false Density pricing zones for special access and...) COMMON CARRIER SERVICES (CONTINUED) ACCESS CHARGES Computation of Charges § 69.123 Density pricing zones... price cap regulation may establish any number of density zones within a study area that is used for...

Gyroaveraging operations using adaptive matrix operators

NASA Astrophysics Data System (ADS)

Dominski, Julien; Ku, Seung-Hoe; Chang, Choong-Seock

2018-05-01

A new adaptive scheme to be used in particle-in-cell codes for carrying out gyroaveraging operations with matrices is presented. This new scheme uses an intermediate velocity grid whose resolution is adapted to the local thermal Larmor radius. The charge density is computed by projecting marker weights in a field-line following manner while preserving the adiabatic magnetic moment μ. These choices permit to improve the accuracy of the gyroaveraging operations performed with matrices even when strong spatial variation of temperature and magnetic field is present. Accuracy of the scheme in different geometries from simple 2D slab geometry to realistic 3D toroidal equilibrium has been studied. A successful implementation in the gyrokinetic code XGC is presented in the delta-f limit.

Microscopic interpretation of inelastic electron scattering from even Ni isotopes

NASA Astrophysics Data System (ADS)

Yokoyama, Atsushi; Ogawa, Kengo

1990-10-01

Transition charge densities of inelastic electron scattering for the excitation of 2+ and 4+ states in even-mass Ni isotopes are investigated in terms of the standard shell model of the (p3/2,p1/2,f5/2)n configurations. Effective transition operators pertinent to the model space are derived by considering particle-hole excitations up to 12ħω for C2 and 14ħω for C4 transitions within the framework of a first-order perturbation theory. It is shown that surface-peaked transition charge densities can be obtained for the first excited 2+ and 4+ states, being in agreement with experiment. Particle-hole excitations up to λħω, e.g., λ=2 for C2 transition, are most responsible for that feature. Higher ħω excitations appear relatively significant in the interior region of the nucleus: They enhance the peak around the surface, improving further agreement with experiment, but for C2 transition they tend to generate another peak inside the nucleus and thus seem to deteriorate agreement with experiment. Transition densities for the 0+g.s.-->2+2,3 and 0+g.s.-->4+2 transitions are also discussed.

Characteristics of Subfreezing Operation of Polymer Electrolyte Membrane Fuel Cells

NASA Astrophysics Data System (ADS)

Mishler, Jeffrey Harris

Polymer Electrolyte Membrane (PEM) Fuel Cells are capable of high efficiency operation, and are free of NOx, SOx, and CO2 emissions when using hydrogen fuel, and ideally suited for use in transportation applications due to their high power density and low operating temperatures. However, under subfreezing conditions which may be encountered during winter seasons in some areas, product water will freeze within the membrane, cathode side catalyst layer and gas diffusion media, leading to voltage loss and operation failure. Experiments were undertaken in order to characterize the amount and location of water during fuel cell operation. First, in-situ neutron radiography was undertaken on the fuel cells at a normal operating temperature for various operating current densities, inlet relative humidities, and diffusion media hydrophobicities. It was found that more hydrophobic cathode microporous layer (MPL) or hydrophilic anode MPL may result in a larger amount of water transporting back to the anode. The water profiles along the channels were measured and the point of liquid water emergence, where two phase flow begins, was compared to previous models. Secondly, under subfreezing temperatures, neutron imaging showed that water ice product accumulates because of lack of a water removal mechanism. Water was observed under both the lands and channels, and increased almost linearly with time. It is found that most ice exists in the cathode side. With evidence from experimental observation, a cold start model was developed and explained, following existing approaches in the literature. Three stages of cold start are explained: membrane saturation, ice storage in catalyst layer pores, and then ice melting. The voltage losses due to temperature change, increased transport resistance, and reduced electrochemical surface area. The ionic conductivity of the membrane at subfreezing temperatures was modeled. Voltage evolution over time for isothermal cold starts was predicted and validated against experimental data. The ice coverage coefficient was shown to be a key variable in matching with experimental data. From model analysis, it appears that the coulombs of charge passed before operation failure is an important parameter characterizing PEM fuel cell cold start. To investigate the coulombs of charge and its determining factors, PEM fuel cells were constructed to measure the effects of membrane configuration (thickness and initial state), catalyst layer configuration (thickness and ionomer-carbon ratio), current density, and temperature on the quantity. It was found that subfreezing temperature, ionomer-catalyst ratio, and catalyst-layer thickness significantly affect the amount of charge transferred before operational failure, whereas the membrane thickness and initial hydration level have limited effect for the considered cases. In addition, degradation of the catalyst layer was observed and quantified. These results improve the fundamental understanding of characteristics of subfreezing operation and thus are valuable for automobile applications of PEM fuel cells. The model directly relates the material properties to voltage loss, and predicts voltage evolution, thus providing a way for material optimization and diagnostics. Additionally, insights into component design and operating conditions can be used to better optimize the fuel cell for cold start-up of the vehicle.

A charge-density-wave oscillator based on an integrated tantalum disulfide-boron nitride-graphene device operating at room temperature.

PubMed

Liu, Guanxiong; Debnath, Bishwajit; Pope, Timothy R; Salguero, Tina T; Lake, Roger K; Balandin, Alexander A

2016-10-01

The charge-density-wave (CDW) phase is a macroscopic quantum state consisting of a periodic modulation of the electronic charge density accompanied by a periodic distortion of the atomic lattice in quasi-1D or layered 2D metallic crystals. Several layered transition metal dichalcogenides, including 1T-TaSe 2 , 1T-TaS 2 and 1T-TiSe 2 exhibit unusually high transition temperatures to different CDW symmetry-reducing phases. These transitions can be affected by the environmental conditions, film thickness and applied electric bias. However, device applications of these intriguing systems at room temperature or their integration with other 2D materials have not been explored. Here, we demonstrate room-temperature current switching driven by a voltage-controlled phase transition between CDW states in films of 1T-TaS 2 less than 10 nm thick. We exploit the transition between the nearly commensurate and the incommensurate CDW phases, which has a transition temperature of 350 K and gives an abrupt change in current accompanied by hysteresis. An integrated graphene transistor provides a voltage-tunable, matched, low-resistance load enabling precise voltage control of the circuit. The 1T-TaS 2 film is capped with hexagonal boron nitride to provide protection from oxidation. The integration of these three disparate 2D materials in a way that exploits the unique properties of each yields a simple, miniaturized, voltage-controlled oscillator suitable for a variety of practical applications.

Cost and performance model for redox flow batteries

NASA Astrophysics Data System (ADS)

Viswanathan, Vilayanur; Crawford, Alasdair; Stephenson, David; Kim, Soowhan; Wang, Wei; Li, Bin; Coffey, Greg; Thomsen, Ed; Graff, Gordon; Balducci, Patrick; Kintner-Meyer, Michael; Sprenkle, Vincent

2014-02-01

A cost model is developed for all vanadium and iron-vanadium redox flow batteries. Electrochemical performance modeling is done to estimate stack performance at various power densities as a function of state of charge and operating conditions. This is supplemented with a shunt current model and a pumping loss model to estimate actual system efficiency. The operating parameters such as power density, flow rates and design parameters such as electrode aspect ratio and flow frame channel dimensions are adjusted to maximize efficiency and minimize capital costs. Detailed cost estimates are obtained from various vendors to calculate cost estimates for present, near-term and optimistic scenarios. The most cost-effective chemistries with optimum operating conditions for power or energy intensive applications are determined, providing a roadmap for battery management systems development for redox flow batteries. The main drivers for cost reduction for various chemistries are identified as a function of the energy to power ratio of the storage system. Levelized cost analysis further guide suitability of various chemistries for different applications.

Tailoring charge density and hydrogen bonding of imidazolium copolymers for efficient gene delivery.

PubMed

Allen, Michael H; Green, Matthew D; Getaneh, Hiwote K; Miller, Kevin M; Long, Timothy E

2011-06-13

Conventional free radical polymerization with subsequent postpolymerization modification afforded imidazolium copolymers with controlled charge density and side chain hydroxyl number. Novel imidazolium-containing copolymers where each permanent cation contained one or two adjacent hydroxyls allowed precise structure-transfection efficiency studies. The degree of polymerization was identical for all copolymers to eliminate the influence of molecular weight on transfection efficiency. DNA binding, cytotoxicity, and in vitro gene transfection in African green monkey COS-7 cells revealed structure-property-transfection relationships for the copolymers. DNA gel shift assays indicated that higher charge densities and hydroxyl concentrations increased DNA binding. As the charge density of the copolymers increased, toxicity of the copolymers also increased; however, as hydroxyl concentration increased, cytotoxicity remained constant. Changing both charge density and hydroxyl levels in a systematic fashion revealed a dramatic influence on transfection efficiency. Dynamic light scattering of the polyplexes, which were composed of copolymer concentrations required for the highest luciferase expression, showed an intermediate DNA-copolymer binding affinity. Our studies supported the conclusion that cationic copolymer binding affinity significantly impacts overall transfection efficiency of DNA delivery vehicles, and the incorporation of hydroxyl sites offers a less toxic and effective alternative to more conventional highly charged copolymers.

Quantum crystallographic charge density of urea

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

Wall, Michael E.

Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the datamore » is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. Lastly, the results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.« less

Quantum crystallographic charge density of urea

DOE PAGES

Wall, Michael E.

2016-06-08

Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the datamore » is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. Lastly, the results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.« less

Charge-density-shear-moduli relationships in aluminum-lithium alloys.

PubMed

Eberhart, M

2001-11-12

Using the first principles full-potential linear-augmented-Slater-type orbital technique, the energies and charge densities of aluminum and aluminum-lithium supercells have been computed. The experimentally observed increase in aluminum's shear moduli upon alloying with lithium is argued to be the result of predictable changes to aluminum's total charge density, suggesting that simple rules may allow the alloy designer to predict the effects of dilute substitutional elements on alloy elastic response.

Thermal stability of atomic layer deposition Al2O3 film on HgCdTe

NASA Astrophysics Data System (ADS)

Zhang, P.; Sun, C. H.; Zhang, Y.; Chen, X.; He, K.; Chen, Y. Y.; Ye, Z. H.

2015-06-01

Thermal stability of Atomic Layer Deposition Al2O3 film on HgCdTe was investigated by Al2O3 film post-deposition annealing treatment and Metal-Insulator-Semiconductor device low-temperature baking treatment. The effectiveness of Al2O3 film was evaluated by measuring the minority carrier lifetime and capacitance versus voltage characteristics. After annealing treatment, the minority carrier lifetime of the HgCdTe sample presented a slight decrease. Furthermore, the fixed charge density and the slow charge density decreased significantly in the annealed MIS device. After baking treatment, the fixed charge density and the slow charge density of the unannealed and annealed MIS devices decreased and increased, respectively.

A nickel metal hydride battery for electric vehicles

NASA Astrophysics Data System (ADS)

Ovshinsky, S. R.; Fetcenko, M. A.; Ross, J.

1993-04-01

An efficient battery is the key technological element to the development of practical electric vehicles. The science and technology of a nickel metal hydride battery, which stores hydrogen in the solid hydride phase and has high energy density, high power, long life, tolerance to abuse, a wide range of operating temperature, quick-charge capability, and totally sealed maintenance-free operation, is described. A broad range of multi-element metal hydride materials that use structural and compositional disorder on several scales of length has been engineered for use as the negative electrode in this battery. The battery operates at ambient temperature, is made of nontoxic materials, and is recyclable. Demonstration of the manufacturing technology has been achieved.

Structural charge site influence on the interlayer hydration of expandable three-sheet clay minerals

USGS Publications Warehouse

Kerns, Raymond L.; Mankin, Charles J.

1968-01-01

Previous investigations have demonstrated the influences of interlayer cation composition, relative humidity, temperature, and magnitude of interlayer surface charge on the interlayer hydration of montmorillonites and vermiculites. It has been suggested that the sites of layer charge deficiencies may also have an influence upon the amount of hydration that can take place in the interlayers of expandable clay minerals. If the interlayer cation-to-layer bonds are considered as ideally electrostatic, the magnitude of the forces resisting expansion may be expressed as a form of Coulomb's law. If this effect is significant, expandable structures in which the charge-deficiency sites are predominantly in the tetrahedral sheet should have less pronounced swelling properties than should structures possessing charge deficiencies located primarily in the octahedral sheet.Three samples that differed in location of layer charge sites were selected for study. An important selection criterion was a non-correlation between tetrahedral charge sites and high surface-charge density, and between octahedral charge sites and low surface-charge density.The effects of differences in interlayer cation composition were eliminated by saturating portions of each sample with the same cations. Equilibrium (001) d values at controlled constant humidities were used as a measure of the relative degree of interlayer hydration.Although no correlation could be made between the degree of interlayer hydration and total surface-charge density, the investigation does not eliminate total surface-charge density as being significant to the swelling properties of three-sheet clay-mineral structures. The results do indicate a correlation between more intense expandability and predominance of charge deficiencies in the octahedral sheet. Conversely, less intense swelling behavior is associated with predominantly tetrahedral charge deficiencies.

The strain capacitor: A novel energy storage device

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

Deb Shuvra, Pranoy; McNamara, Shamus, E-mail: shamus.mcnamara@louisville.edu

2014-12-15

A novel electromechanical energy storage device is reported that has the potential to have high energy densities. It can efficiently store both mechanical strain energy and electrical energy in the form of an electric field between the electrodes of a strain-mismatched bilayer capacitor. When the charged device is discharged, both the electrical and mechanical energy are extracted in an electrical form. The charge-voltage profile of the device is suitable for energy storage applications since a larger portion of the stored energy can be extracted at higher voltage levels compared to a normal capacitor. Its unique features include the potential formore » long lifetime, safety, portability, wide operating temperature range, and environment friendliness. The device can be designed to operate over varied operating voltage ranges by selecting appropriate materials and by changing the dimensions of the device. In this paper a finite element model of the device is developed to verify and demonstrate the potential of the device as an energy storage element. This device has the potential to replace conventional energy storage devices.« less

Investigating the topological structure of quenched lattice QCD with overlap fermions using a multi-probing approximation

NASA Astrophysics Data System (ADS)

Zou, You-Hao; Zhang, Jian-Bo; Xiong, Guang-Yi; Chen, Ying; Liu, Chuan; Liu, Yu-Bin; Ma, Jian-Ping

2017-10-01

The topological charge density and topological susceptibility are determined by a multi-probing approximation using overlap fermions in quenched SU(3) gauge theory. Then we investigate the topological structure of the quenched QCD vacuum, and compare it with results from the all-scale topological density. The results are consistent. Random permuted topological charge density is used to check whether these structures represent underlying ordered properties. The pseudoscalar glueball mass is extracted from the two-point correlation function of the topological charge density. We study 3 ensembles of different lattice spacing a with the same lattice volume 163×32. The results are compatible with the results of all-scale topological charge density, and the topological structures revealed by multi-probing are much closer to all-scale topological charge density than those from eigenmode expansion. Supported by National Natural Science Foundation of China (NSFC) (11335001, 11275169, 11075167), It is also supported in part by the DFG and the NSFC (11261130311) through funds provided to the Sino-German CRC 110 "Symmetries and the Emergence of Structure in QCD". This work was also funded in part by National Basic Research Program of China (973 Program) (2015CB856700)

Effect of Thermospheric Neutral Density upon Inner Trapped-belt Proton Flux

NASA Technical Reports Server (NTRS)

Wilson, Thomas L.; Lodhi, M. A. K.; Diaz, Abel B.

2007-01-01

We wish to point out that a secular change in the Earth's atmospheric neutral density alters charged-particle lifetime in the inner trapped radiation belts, in addition to the changes recently reported as produced by greenhouse gases. Heretofore, changes in neutral density have been of interest primarily because of their effect on the orbital drag of satellites. We extend this to include the orbital lifetime of charged particles in the lower radiation belts. It is known that the charged-belt population is coupled to the neutral density of the atmosphere through changes induced by solar activity, an effect produced by multiple scattering off neutral and ionized atoms along with ionization loss in the thermosphere where charged and neutral populations interact. It will be shown here that trapped-belt flux J is bivariant in energy E and thermospheric neutral density , as J(E,rho). One can conclude that proton lifetimes in these belts are also directly affected by secular changes in the neutral species populating the Earth s thermosphere. This result is a consequence of an intrinsic property of charged-particle flux, that flux is not merely a function of E but is dependent upon density rho when a background of neutrals is present.

Alternative route to charge density wave formation in multiband systems

PubMed Central

Eiter, Hans-Martin; Lavagnini, Michela; Hackl, Rudi; Nowadnick, Elizabeth A.; Kemper, Alexander F.; Devereaux, Thomas P.; Chu, Jiun-Haw; Analytis, James G.; Fisher, Ian R.; Degiorgi, Leonardo

2013-01-01

Charge and spin density waves, periodic modulations of the electron, and magnetization densities, respectively, are among the most abundant and nontrivial low-temperature ordered phases in condensed matter. The ordering direction is widely believed to result from the Fermi surface topology. However, several recent studies indicate that this common view needs to be supplemented. Here, we show how an enhanced electron–lattice interaction can contribute to or even determine the selection of the ordering vector in the model charge density wave system ErTe3. Our joint experimental and theoretical study allows us to establish a relation between the selection rules of the electronic light scattering spectra and the enhanced electron–phonon coupling in the vicinity of band degeneracy points. This alternative proposal for charge density wave formation may be of general relevance for driving phase transitions into other broken-symmetry ground states, particularly in multiband systems, such as the iron-based superconductors. PMID:23248317

Alternative route to charge density wave formation in multiband systems.

PubMed

Eiter, Hans-Martin; Lavagnini, Michela; Hackl, Rudi; Nowadnick, Elizabeth A; Kemper, Alexander F; Devereaux, Thomas P; Chu, Jiun-Haw; Analytis, James G; Fisher, Ian R; Degiorgi, Leonardo

2013-01-02

Charge and spin density waves, periodic modulations of the electron, and magnetization densities, respectively, are among the most abundant and nontrivial low-temperature ordered phases in condensed matter. The ordering direction is widely believed to result from the Fermi surface topology. However, several recent studies indicate that this common view needs to be supplemented. Here, we show how an enhanced electron-lattice interaction can contribute to or even determine the selection of the ordering vector in the model charge density wave system ErTe(3). Our joint experimental and theoretical study allows us to establish a relation between the selection rules of the electronic light scattering spectra and the enhanced electron-phonon coupling in the vicinity of band degeneracy points. This alternative proposal for charge density wave formation may be of general relevance for driving phase transitions into other broken-symmetry ground states, particularly in multiband systems, such as the iron-based superconductors.

Computational Fluid Dynamics Modeling of the Operation of a Flame Ionization Sensor

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

Huckaby, E.D.; Chorpening, B.T.; Thornton, J.D.

The sensors and controls research group at the United States Department of Energy (DOE) National Energy Technology Laboratory (NETL) is continuing to develop the Combustion Control and Diagnostics Sensor (CCADS) for gas turbine applications. CCADS uses the electrical conduction of the charged species generated during the combustion process to detect combustion instabilities and monitor equivalence ratio. As part of this effort, combustion models are being developed which include the interaction between the electric field and the transport of charged species. The primary combustion process is computed using a flame wrinkling model (Weller et. al. 1998) which is a component ofmore » the OpenFOAM toolkit (Jasak et. al. 2004). A sub-model for the transport of charged species is attached to this model. The formulation of the charged-species model similar that applied by Penderson and Brown (1993) for the simulation of laminar flames. The sub-model consists of an additional flux due to the electric field (drift flux) added to the equations for the charged species concentrations and the solution the electric potential from the resolved charge density. The subgrid interactions between the electric field and charged species transport have been neglected. Using the above procedure, numerical simulations are performed and the results compared with several recent CCADS experiments.« less

Laser ion source activities at Brookhaven National Laboratory

DOE PAGES

Kanesue, Takeshi; Okamura, Masahiro

2015-07-31

In Brookhaven National Laboratory (BNL), we have been developing laser ion sources for diverse accelerators. Tabletop Nd:YAG lasers with up to several Joules of energy are mainly used to create ablation plasmas for stable operations. The obtained charge states depend on laser power density and target species. Two types of ion extraction schemes, Direct Plasma Injection Scheme (DPIS) and conventional static extraction, are used depending on application. We optimized and select a suitable laser irradiation condition and a beam extraction scheme to meet the requirement of the following accelerator system. We have demonstrated to accelerate more than 5 x 10more » 10 of C 6+ ions using the DPIS. We successfully commissioned low charge ion beam provider to the user facilities in BNL. As a result, to achieve higher current, higher charge state and lower emittance, further studies will continue.« less

Charge state distribution and emission characteristics in a table top reflex discharge - Effect of ion confinement and electrons accelerated across the sheath

DOE PAGES

Kumar, Deepak; Englesbe, Alexander; Parman, Matthew; ...

2015-11-05

Tabletop reflex discharges in a Penning geometry have many applications including ion sources and eXtreme Ultra-Violet (XUV) sources. The presence of primary electrons accelerated across the cathode sheaths is responsible for the distribution of ion charge states and of the unusually high XUV brightness of these plasmas. Absolutely calibrated space resolved XUV spectra from a table top reflex discharge operating with Al cathodes and Ne gas are presented. The spectra are analyzed with a new and complete model for ion charge distribution in similar reflex discharges. The plasma in the discharge was found to have a density of ~10 18mmore » –3 with a significant fraction >0.01 of fast primary electrons. As a result, the implications of the new model on the ion states achievable in a tabletop reflex plasma discharge are also discussed.« less

Correlation between the extent of catalytic activity and charge density of montmorillonites.

PubMed

Ertem, Gözen; Steudel, Annett; Emmerich, Katja; Lagaly, Gerhard; Schuhmann, Rainer

2010-09-01

The clay mineral montmorillonite is a member of the phyllosilicate group of minerals, which has been detected on martian soil. Montmorillonite catalyzes the condensation of activated monomers to form RNA-like oligomers. Extent of catalysis, that is, the yield of oligomers, and the length of the longest oligomer formed in these reactions widely varies with the source of montmorillonite (i.e., the locality where the mineral is mined). This study was undertaken to establish whether there exists a correlation between the extent of catalytic property and the charge density of montmorillonites. Charge density was determined by saturating the montmorillonites with alkyl ammonium cations that contained increasing lengths of alkyl chains, [CH₃-(CH₂)(n)-NH₃](+), where n = 3-16 and 18, and then measuring d(₀₀₁), interlayer spacing of the resulting montmorillonite-alkyl ammonium-montmorillonite complex by X-ray diffractometry (XRD). Results demonstrate that catalytic activity of montmorillonites with lower charge density is superior to that of higher charge density montmorillonite. They produce longer oligomers that contain 9 to 10 monomer units, while montmorillonite with high charge density catalyzes the formation of oligomers that contain only 4 monomer units. The charge density of montmorillonites can also be calculated from the chemical composition if elemental analysis data of the pure mineral are available. In the next mission to Mars, CheMin (Chemistry and Mineralogy), a combined X-ray diffraction/X-ray fluorescence instrument, will provide information on the mineralogical and elemental analysis of the samples. Possible significance of these results for planning the future missions to Mars for the search of organic compounds and extinct or extant life is discussed.

Efficient mixing scheme for self-consistent all-electron charge density

NASA Astrophysics Data System (ADS)

Shishidou, Tatsuya; Weinert, Michael

2015-03-01

In standard ab initio density-functional theory calculations, the charge density ρ is gradually updated using the ``input'' and ``output'' densities of the current and previous iteration steps. To accelerate the convergence, Pulay mixing has been widely used with great success. It expresses an ``optimal'' input density ρopt and its ``residual'' Ropt by a linear combination of the densities of the iteration sequences. In large-scale metallic systems, however, the long range nature of Coulomb interaction often causes the ``charge sloshing'' phenomenon and significantly impacts the convergence. Two treatments, represented in reciprocal space, are known to suppress the sloshing: (i) the inverse Kerker metric for Pulay optimization and (ii) Kerker-type preconditioning in mixing Ropt. In all-electron methods, where the charge density does not have a converging Fourier representation, treatments equivalent or similar to (i) and (ii) have not been described so far. In this work, we show that, by going through the calculation of Hartree potential, one can accomplish the procedures (i) and (ii) without entering the reciprocal space. Test calculations are done with a FLAPW method.

Emergence of charge density waves and a pseudogap in single-layer TiTe 2

DOE PAGES

Chen, P.; Pai, Woei Wu; Chan, Y. -H.; ...

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

Properties of excited states in organic light emitting diodes and lasers

NASA Astrophysics Data System (ADS)

Giebink, Noel C.

The field of organic semiconductors has grown rapidly over the past decade with the development of light emitting diodes, solar cells, and lasers that promise a new generation of low-cost, flexible optoelectronic devices. In each case, the behavior of molecular excited states, or excitons, is of fundamental importance. The present study explores the nature and interactions of such excited states in the attempt to develop an electrically pumped organic semiconductor laser, and to improve the performance and operational stability of organic light emitting diodes. We begin by investigating intrinsic loss processes in optically pumped organic semiconductor lasers and demonstrate that exciton annihilation implies a fundamental limit that will prevent lasing by electrical injection in currently known materials. Searching for an alternative approach to reach threshold leads us to study metastable geminate charge pairs, where we find that optically generated excitons can be accumulated over time in an external electric field via these intermediate states. Upon field turn-off, the excitons are immediately restored, leading to a sudden burst of excitation density over 30 times higher than that generated by the pump alone. Unfortunately, we identify limitations that have thus far prevented reaching laser threshold with this technique. In a parallel push toward high power density, we investigate the origins of quantum efficiency roll-off in organic light emitting diodes (OLEDs) and find that it is dominated by loss of charge balance in the majority of fluorescent and phosphorescent devices. The second major theme of this work involves understanding the intrinsic modes of OLED operational degradation. Based on extensive modeling and supported directly by experimental evidence, we identify exciton-charge carrier annihilation reactions as a principle degradation pathway. Exploiting the diffusion of triplet excitons, we show that fluorescence and phosphorescence can be combined to increase the operational lifetime of white OLEDs and still retain the potential for unity internal quantum efficiency.

Computational Evaluation of Latent Heat Energy Storage Using a High Temperature Phase Change Material

DTIC Science & Technology

2012-05-01

thermal energy storage system using molten silicon as a phase change material. A cylindrical receiver, absorber, converter system was evaluated using...temperature operation. This work computationally evaluates a thermal energy storage system using molten silicon as a phase change material. A cylindrical... salts ) offering a low power density and a low thermal conductivity, leading to a limited rate of charging and discharging (4). A focus on

The Holographic Electron Density Theorem, de-quantization, re-quantization, and nuclear charge space extrapolations of the Universal Molecule Model

NASA Astrophysics Data System (ADS)

Mezey, Paul G.

2017-11-01

Two strongly related theorems on non-degenerate ground state electron densities serve as the basis of "Molecular Informatics". The Hohenberg-Kohn theorem is a statement on global molecular information, ensuring that the complete electron density contains the complete molecular information. However, the Holographic Electron Density Theorem states more: the local information present in each and every positive volume density fragment is already complete: the information in the fragment is equivalent to the complete molecular information. In other words, the complete molecular information provided by the Hohenberg-Kohn Theorem is already provided, in full, by any positive volume, otherwise arbitrarily small electron density fragment. In this contribution some of the consequences of the Holographic Electron Density Theorem are discussed within the framework of the "Nuclear Charge Space" and the Universal Molecule Model. In the Nuclear Charge Space" the nuclear charges are regarded as continuous variables, and in the more general Universal Molecule Model some other quantized parameteres are also allowed to become "de-quantized and then re-quantized, leading to interrelations among real molecules through abstract molecules. Here the specific role of the Holographic Electron Density Theorem is discussed within the above context.

A theoretical-electron-density databank using a model of real and virtual spherical atoms.

PubMed

Nassour, Ayoub; Domagala, Slawomir; Guillot, Benoit; Leduc, Theo; Lecomte, Claude; Jelsch, Christian

2017-08-01

A database describing the electron density of common chemical groups using combinations of real and virtual spherical atoms is proposed, as an alternative to the multipolar atom modelling of the molecular charge density. Theoretical structure factors were computed from periodic density functional theory calculations on 38 crystal structures of small molecules and the charge density was subsequently refined using a density model based on real spherical atoms and additional dummy charges on the covalent bonds and on electron lone-pair sites. The electron-density parameters of real and dummy atoms present in a similar chemical environment were averaged on all the molecules studied to build a database of transferable spherical atoms. Compared with the now-popular databases of transferable multipolar parameters, the spherical charge modelling needs fewer parameters to describe the molecular electron density and can be more easily incorporated in molecular modelling software for the computation of electrostatic properties. The construction method of the database is described. In order to analyse to what extent this modelling method can be used to derive meaningful molecular properties, it has been applied to the urea molecule and to biotin/streptavidin, a protein/ligand complex.

Effect of current density on electron beam induced charging in MgO

NASA Astrophysics Data System (ADS)

Boughariou, Aicha; Hachicha, Olfa; Kallel, Ali; Blaise, Guy

2005-11-01

It is well known that the presence of space charge in an insulator is correlated with an electric breakdown. Many studies have been carried out on the experimental characterization of space charges. In this paper, we outline the dependence on the current density of the charge-trapping phenomenon in magnesium oxide. Our study was performed with a dedicated scanning electron microscope (SEM) on the electrical property evolution of surface of magnesium oxide (1 0 0) (MgO) single crystal, during a 1.1, 5 and 30 keV electron irradiation. The types of charges trapped on the irradiated areas and the charging kinetics are determined by measuring the total secondary electron emission (SEE) σ during the injection process by means of two complementary detectors. At low energies 1.1 and 5 keV, two different kinds of self-regulated regime (σ = 1) were observed as a function of current density. At 30 keV energy, the electron emission appears to be stimulated by the current density, due to the Poole-Frenkel effect.

Arsenic removal from groundwater using iron electrocoagulation: effect of charge dosage rate.

PubMed

Amrose, Susan; Gadgil, Ashok; Srinivasan, Venkat; Kowolik, Kristin; Muller, Marc; Huang, Jessica; Kostecki, Robert

2013-01-01

We demonstrate that electrocoagulation (EC) using iron electrodes can reduce arsenic below 10 μg/L in synthetic Bangladesh groundwater and in real groundwater from Bangladesh and Cambodia, while investigating the effect of operating parameters that are often overlooked, such as charge dosage rate. We measure arsenic removal performance over a larger range of current density than in any other single previous EC study (5000-fold: 0.02 - 100 mA/cm(2)) and over a wide range of charge dosage rates (0.060 - 18 Coulombs/L/min). We find that charge dosage rate has significant effects on both removal capacity (μg-As removed/Coulomb) and treatment time and is the appropriate parameter to maintain performance when scaling to different active areas and volumes. We estimate the operating costs of EC treatment in Bangladesh groundwater to be $0.22/m(3). Waste sludge (~80 - 120 mg/L), when tested with the Toxic Characteristic Leachate Protocol (TCLP), is characterized as non-hazardous. Although our focus is on developing a practical device, our results suggest that As[III] is mostly oxidized via a chemical pathway and does not rely on processes occurring at the anode. Supplementary materials are available for this article. Go to the publisher's online edition of Journal of Environmental Science and Health, Part A, to view the free supplemental file.

Central depression of nuclear charge density distribution

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

Chu Yanyun; Ren Zhongzhou; Center of Theoretical Nuclear Physics, National Laboratory of Heavy-Ion Accelerator, Lanzhou 730000

The center-depressed nuclear charge distributions are investigated with the parametrized distribution and the relativistic mean-field theory, and their corresponding charge form factors are worked out with the phase shift analysis method. The central depression of nuclear charge distribution of {sup 46}Ar and {sup 44}S is supported by the relativistic mean-field calculation. According to the calculation, the valence protons in {sup 46}Ar and {sup 44}S prefer to occupy the 1d{sub 3/2} state rather than the 2s{sub 1/2} state, which is different from that in the less neutron-rich argon and sulfur isotopes. As a result, the central proton densities of {sup 46}Armore » and {sup 44}S are highly depressed, and so are their central charge densities. The charge form factors of some argon and sulfur isotopes are presented, and the minima of the charge form factors shift upward and inward when the central nuclear charge distributions are more depressed. Besides, the effect of the central depression on the charge form factors is studied with a parametrized distribution, when the root-mean-square charge radii remain constant.« less

On the dependence of charge density on surface curvature of an isolated conductor

NASA Astrophysics Data System (ADS)

Bhattacharya, Kolahal

2016-03-01

A study of the relation between the electrostatic charge density at a point on a conducting surface and the curvature of the surface (at that point) is presented. Two major papers in the scientific literature on this topic are reviewed and the apparent discrepancy between them is resolved. Hence, a step is taken towards obtaining a general analytic formula for relating the charge density with surface curvature of conductors. The merit of this formula and its limitations are discussed.

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.

Pair density waves in superconducting vortex halos

NASA Astrophysics Data System (ADS)

Wang, Yuxuan; Edkins, Stephen D.; Hamidian, Mohammad H.; Davis, J. C. Séamus; Fradkin, Eduardo; Kivelson, Steven A.

2018-05-01

We analyze the interplay between a d -wave uniform superconducting and a pair-density-wave (PDW) order parameter in the neighborhood of a vortex. We develop a phenomenological nonlinear sigma model, solve the saddle-point equation for the order-parameter configuration, and compute the resulting local density of states in the vortex halo. The intertwining of the two superconducting orders leads to a charge density modulation with the same periodicity as the PDW, which is twice the period of the charge density wave that arises as a second harmonic of the PDW itself. We discuss key features of the charge density modulation that can be directly compared with recent results from scanning tunneling microscopy and speculate on the role PDW order may play in the global phase diagram of the hole-doped cuprates.

Impact of low-dose electron irradiation on $$n^{+}p$$ silicon strip sensors

DOE PAGES

Adam, W.

2015-08-28

The response of n +p silicon strip sensors to electrons from a 90Sr source was measured using a multi-channel read-out system with 25 ns sampling time. The measurements were performed over a period of several weeks, during which the operating conditions were varied. The sensors were fabricated by Hamamatsu Photonics on 200 μm thick float-zone and magnetic-Czochralski silicon. Their pitch was 80 μm, and both p-stop and p-spray isolation of the n + strips were studied. The electrons from the 90Sr source were collimated to a spot with a full-width-at-half-maximum of 2 mm at the sensor surface, and the dosemore » rate in the SiO 2 at the maximum was about 50 Gy(SiO 2)/d. After only a few hours of making measurements, significant changes in charge collection and charge sharing were observed. Annealing studies, with temperatures up to 80 °C and annealing times of 18 h showed that the changes can only be partially annealed. The observations can be qualitatively explained by the increase of the positive oxide-charge density due to the ionization of the SiO 2 by the radiation from the β source. TCAD simulations of the electric field in the sensor for different oxide-charge densities and different boundary conditions at the sensor surface support this explanation. As a result, the relevance of the measurements for the design of n +p strip sensors is discussed.« less

Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis.

PubMed

Saravanan, Kandasamy; Kalaiarasi, Chinnasamy; Kumaradhas, Poomani

2017-12-01

Acetylcholinesterase (AChE) is an important enzyme responsible for Alzheimer's disease, as per report, keto-enol form of curcumin inhibits this enzyme. The present study aims to understand the binding mechanism of keto-enol curcumin with the recombinant human Acetylcholinesterase (rhAChE) from its conformational flexibility, intermolecular interactions, charge density distribution, and the electrostatic properties at the active site of rhAChE. To accomplish this, a molecular docking analysis of curcumin with the rhAChE was performed, which gives the structure and conformation of curcumin in the active site of rhAChE. Further, the charge density distribution and the electrostatic properties of curcumin molecule (lifted from the active site of rhAChE) were determined from the high level density functional theory (DFT) calculations coupled with the charge density analysis. On the other hand, the curcumin molecule was optimized (gas phase) using DFT method and further, the structure and charge density analysis were also carried out. On comparing the conformation, charge density distribution and the electrostatic potential of the active site form of curcumin with the corresponding gas phase form reveals that the above said properties are significantly altered when curcumin is present in the active site of rhAChE. The conformational stability and the interaction of curcumin in the active site are also studied using molecular dynamics simulation, which shows a large variation in the conformational geometry of curcumin as well as the intermolecular interactions.

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

PubMed

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

2017-10-19

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

Atomistic and molecular effects in electric double layers at high surface charges

DOE PAGES

Templeton, Jeremy Alan; Lee, Jonathan; Mani, Ali

2015-06-16

Here, the Poisson–Boltzmann theory for electrolytes near a charged surface is known to be invalid due to unaccounted physics associated with high ion concentration regimes. In order to investigate this regime, fluids density functional theory (f-DFT) and molecular dynamics (MD) simulations were used to determine electric surface potential as a function of surface charge. Based on these detailed computations, for electrolytes with nonpolar solvent, the surface potential is shown to depend quadratically on the surface charge in the high charge limit. We demonstrate that modified Poisson–Boltzmann theories can model this limit if they are augmented with atomic packing densities providedmore » by MD. However, when the solvent is a highly polar molecule water an intermediate regime is identified in which a constant capacitance is realized. Simulation results demonstrate the mechanism underlying this regime, and for the salt water system studied here, it persists throughout the range of physically realistic surface charge densities so the potential’s quadratic surface charge dependence is not obtained.« less

Multi-frequency inversion-charge pumping for charge separation and mobility analysis in high-k/InGaAs metal-oxide-semiconductor field-effect transistors

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

Djara, V.; Cherkaoui, K.; Negara, M. A.

2015-11-28

An alternative multi-frequency inversion-charge pumping (MFICP) technique was developed to directly separate the inversion charge density (N{sub inv}) from the trapped charge density in high-k/InGaAs metal-oxide-semiconductor field-effect transistors (MOSFETs). This approach relies on the fitting of the frequency response of border traps, obtained from inversion-charge pumping measurements performed over a wide range of frequencies at room temperature on a single MOSFET, using a modified charge trapping model. The obtained model yielded the capture time constant and density of border traps located at energy levels aligned with the InGaAs conduction band. Moreover, the combination of MFICP and pulsed I{sub d}-V{sub g}more » measurements enabled an accurate effective mobility vs N{sub inv} extraction and analysis. The data obtained using the MFICP approach are consistent with the most recent reports on high-k/InGaAs.« less

A Novel Method for Measuring Electrical Conductivity of High Insulating Oil Using Charge Decay

NASA Astrophysics Data System (ADS)

Wang, Z. Q.; Qi, P.; Wang, D. S.; Wang, Y. D.; Zhou, W.

2016-05-01

For the high insulating oil, it is difficult to measure the conductivity precisely using voltammetry method. A high-precision measurementis proposed for measuring bulk electrical conductivity of high insulating oils (about 10-9--10-15S/m) using charge decay. The oil is insulated and charged firstly, and then grounded fully. During the experimental procedure, charge decay is observed to show an exponential law according to "Ohm" theory. The data of time dependence of charge density is automatically recorded using an ADAS and a computer. Relaxation time constant is fitted from the data using Gnuplot software. The electrical conductivity is calculated using relaxation time constant and dielectric permittivity. Charge density is substituted by electric potential, considering charge density is difficult to measure. The conductivity of five kinds of oils is measured. Using this method, the conductivity of diesel oil is easily measured to beas low as 0.961 pS/m, as shown in Fig. 5.

Low-temperature charged impurity scattering-limited conductivity in relatively high doped bilayer graphene

NASA Astrophysics Data System (ADS)

Hu, Bo

2015-08-01

Based on semiclassical Boltzamnn transport theory in random phase approximation, we develop a theoretical model to investigate low-temperature carrier transport properties in relatively high doped bilayer graphene. In the presence of both electron-hole puddles and band gap induced by charged impurities, we calculate low-temperature charged impurity scattering-limited conductivity in relatively high doped bilayer graphene. Our calculated conductivity results are in excellent agreement with published experimental data in all compensated gate voltage regime of study by using potential fluctuation parameter as only one free fitting parameter, indicating that both electron-hole puddles and band gap induced by charged impurities play an important role in carrier transport. More importantly, we also find that the conductivity not only depends strongly on the total charged impurity density, but also on the top layer charged impurity density, which is different from that obtained by neglecting the opening of band gap, especially for bilayer graphene with high top layer charged impurity density.

A numerical investigation of a thermodielectric power generation system

NASA Astrophysics Data System (ADS)

Sklar, Akiva A.

The performance of a novel micro-thermodielectric power generation system was investigated in order to determine if thermodielectric power generation can be practically employed and if its performance can compete with current portable power generation technologies. Thermodielectric power generation is a direct energy conversion technology that converts heat directly into high voltage direct current. It requires dielectric (i.e., capacitive) materials whose charge storing capabilities are a function of temperature. This property can be exploited by heating these materials after they are charged; as their temperature increases, their charge storage capability decreases, forcing them to eject a portion of their surface charge. This ejected charge can then be supplied to an appropriate electronic storage device. There are several advantages associated with thermodielectric energy conversion; first, it requires heat addition at relatively low conventional power generation temperatures, i.e., less than 600 °K, and second, devices that utilize it have the potential for excellent power density and device reliability. The predominant disadvantage of using this power generation technique is that the device must operate in an unsteady manner; this can lead to substantial heat transfer losses that limit the device's thermal efficiency. The studied power generation system was designed so that the power generating components of the system (i.e., the thermodielectric materials) are integrated within a micro-scale heat exchange apparatus designed specifically to provide the thermodielectric materials with the unsteady heating and cooling necessary for efficient power generation. This apparatus is designed to utilize a liquid as a working fluid in order to maximize its heat transfer capabilities, minimize the size of the heat exchanger, and maximize the power density of the power generation system. The thermodielectric materials are operated through a power generation cycle that consists of four processes; the first process is a charging process, during which an electric field is applied to a thermodielectric material, causing it to acquire electrical charge on its surface (this process is analogous to the isentropic compression process of a Brayton cycle). The second process is a heating process in which the temperature of the dielectric material is increased via heat transfer from an external source. During this process, the thermodielectric material is forced to eject a portion of its surface charge because its charge storing capability decreases as the temperature increases; the ejected charge is intended for capture by external circuitry connected to the thermodielectric material, where it can be routed to an electrochemical storage device or an electromechanical device requiring high voltage direct current. The third process is a discharging process, during which the applied electric field is reduced to its initial strength (analogous to the isentropic expansion process of a Brayton cycle). The final process is a cooling process in which the temperature of the dielectric material is decreased via heat transfer from an external source, returning it to its initial temperature. Previously, predicting the performance of a thermodielectric power generator was hindered by a poor understanding of the material's thermodynamic properties and the effect unsteady heat transfer losses have on system performance. In order to improve predictive capabilities in this study, a thermodielectric equation of state was developed that relates the strength of the applied electric field, the amount of surface charge stored by the thermodielectric material, and its temperature. This state equation was then used to derive expressions for the material's thermodynamic states (internal energy, entropy), which were subsequently used to determine the optimum material properties for power generation. Next, a numerical simulation code was developed to determine the heat transfer capabilities of a micro-scale parallel plate heat recuperator (MPPHR), a device designed specifically to (a) provide the unsteady heating and cooling necessary for thermodielectric power generation and (b) minimize the unsteady heat transfer losses of the system. The simulation code was used to find the optimum heat transfer and heat recuperation regimes of the MPPHR. The previously derived thermodynamic equations that describe the behavior of the thermodielectric materials were then incorporated into the model for the walls of the parallel plate channel in the numerical simulation code, creating a tool capable of determining the thermodynamic performance of an MTDPG, in terms of the thermal efficiency, percent Carnot efficiency, and energy/power density. A detailed parameterization of the MTDPG with the simulation code yielded the critical non-dimensional numbers that determine the relationship between the heat exchange/recuperation abilities of the flow and the power generation capabilities of the thermodielectric materials. These relationships were subsequently used to optimize the performance of an MTDPG with an operating temperature range of 300--500 °K. The optimization predicted that the MTDPG could provide a thermal efficiency of 29.7 percent with the potential to reach 34 percent. These thermal efficiencies correspond to 74.2 and 85 percent of the Carnot efficiency, respectively. The power density of this MTDPG depends on the operating frequency and can exceed 1,000,000 W/m3.

Gyroaveraging operations using adaptive matrix operators

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

Dominski, Julien; Ku, Seung -Hoe; Chang, Choong -Seock

A new adaptive scheme to be used in particle-in-cell codes for carrying out gyroaveraging operations with matrices is presented. This new scheme uses an intermediate velocity grid whose resolution is adapted to the local thermal Larmor radius. The charge density is computed by projecting marker weights in a field-line following manner while preserving the adiabatic magnetic moment μ. These choices permit to improve the accuracy of the gyroaveraging operations performed with matrices even when strong spatial variation of temperature and magnetic field is present. Accuracy of the scheme in different geometries from simple 2D slab geometry to realistic 3D toroidalmore » equilibrium has been studied. As a result, a successful implementation in the gyrokinetic code XGC is presented in the delta-f limit.« less

Gyroaveraging operations using adaptive matrix operators

DOE PAGES

Dominski, Julien; Ku, Seung -Hoe; Chang, Choong -Seock

2018-05-17

A new adaptive scheme to be used in particle-in-cell codes for carrying out gyroaveraging operations with matrices is presented. This new scheme uses an intermediate velocity grid whose resolution is adapted to the local thermal Larmor radius. The charge density is computed by projecting marker weights in a field-line following manner while preserving the adiabatic magnetic moment μ. These choices permit to improve the accuracy of the gyroaveraging operations performed with matrices even when strong spatial variation of temperature and magnetic field is present. Accuracy of the scheme in different geometries from simple 2D slab geometry to realistic 3D toroidalmore » equilibrium has been studied. As a result, a successful implementation in the gyrokinetic code XGC is presented in the delta-f limit.« less

On the Control of the Fixed Charge Densities in Al2O3-Based Silicon Surface Passivation Schemes.

PubMed

Simon, Daniel K; Jordan, Paul M; Mikolajick, Thomas; Dirnstorfer, Ingo

2015-12-30

A controlled field-effect passivation by a well-defined density of fixed charges is crucial for modern solar cell surface passivation schemes. Al2O3 nanolayers grown by atomic layer deposition contain negative fixed charges. Electrical measurements on slant-etched layers reveal that these charges are located within a 1 nm distance to the interface with the Si substrate. When inserting additional interface layers, the fixed charge density can be continuously adjusted from 3.5 × 10(12) cm(-2) (negative polarity) to 0.0 and up to 4.0 × 10(12) cm(-2) (positive polarity). A HfO2 interface layer of one or more monolayers reduces the negative fixed charges in Al2O3 to zero. The role of HfO2 is described as an inert spacer controlling the distance between Al2O3 and the Si substrate. It is suggested that this spacer alters the nonstoichiometric initial Al2O3 growth regime, which is responsible for the charge formation. On the basis of this charge-free HfO2/Al2O3 stack, negative or positive fixed charges can be formed by introducing additional thin Al2O3 or SiO2 layers between the Si substrate and this HfO2/Al2O3 capping layer. All stacks provide very good passivation of the silicon surface. The measured effective carrier lifetimes are between 1 and 30 ms. This charge control in Al2O3 nanolayers allows the construction of zero-fixed-charge passivation layers as well as layers with tailored fixed charge densities for future solar cell concepts and other field-effect based devices.

Millimeter-wave irradiation heating for operation of doped CeO2 electrolyte-supported single solid oxide fuel cell

NASA Astrophysics Data System (ADS)

Che Abdullah, Salmie Suhana Binti; Teranishi, Takashi; Hayashi, Hidetaka; Kishimoto, Akira

2018-01-01

High operation temperature of solid oxide fuel cell (SOFC) results in high cell and operation cost, time consuming and fast cell degradation. Developing high performance SOFC that operates at lower temperature is required. Here we demonstrate 24 GHz microwave as a rapid heating source to replace conventional heating method for SOFC operation using 20 mol% Sm doped CeO2 electrolyte-supported single cell. The tested cell shows improvement of 62% in maximum power density at 630 °C under microwave heating. This improvement governs by bulk conductivity of the electrolyte. Investigation of ionic transference number reveals that the value is unchanged under microwave irradiation, confirming the charge carrier is dominated by oxygen ion species. This work shows a potential new concept of high performance as well as cost and energy effective SOFC.

On the correct interpretation of the low voltage regime in intrinsic single-carrier devices.

PubMed

Röhr, Jason A; Kirchartz, Thomas; Nelson, Jenny

2017-05-24

We discuss the approach of determining the charge-carrier density of a single-carrier device by combining Ohm's law and the Mott-Gurney law. We show that this approach is seldom valid, due to the fact that whenever Ohm's law is applicable the Mott-Gurney law is usually not, and vice versa. We do this using a numerical drift-diffusion solver to calculate the current density-voltage curves and the charge-carrier density, with increasing doping concentration. As this doping concentration is increased to very large values, using Ohm's law becomes a sensible way of measuring the product of mobility and doping density in the sample. However, in the high-doping limit, the current is no longer governed by space-charge and it will no longer be possible to determine the charge-carrier mobility using the Mott-Gurney law. This leaves the value for the mobility as an unknown in the mobility-doping density product in Ohm's law. We also show that, when the charge-carrier mobility for an intrinsic semiconductor is known in advance, the carrier density is underestimated up to many orders of magnitude if Ohm's law is used. We finally seek to establish a window of conditions where the two methods can be combined to yield reasonable results.

Polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent counterions: A Monte Carlo simulation study

NASA Astrophysics Data System (ADS)

Luque-Caballero, Germán; Martín-Molina, Alberto; Quesada-Pérez, Manuel

2014-05-01

Both experiments and theory have evidenced that multivalent cations can mediate the interaction between negatively charged polyelectrolytes and like-charged objects, such as anionic lipoplexes (DNA-cation-anionic liposome complexes). In this paper, we use Monte Carlo simulations to study the electrostatic interaction responsible for the trivalent-counterion-mediated adsorption of polyelectrolytes onto a like-charged planar surface. The evaluation of the Helmholtz free energy allows us to characterize both the magnitude and the range of the interaction as a function of the polyelectrolyte charge, surface charge density, [3:1] electrolyte concentration, and cation size. Both polyelectrolyte and surface charge favor the adsorption. It should be stressed, however, that the adsorption will be negligible if the surface charge density does not exceed a threshold value. The effect of the [3:1] electrolyte concentration has also been analyzed. In certain range of concentrations, the counterion-mediated attraction seems to be independent of this parameter, whereas very high concentrations of salt weaken the adsorption. If the trivalent cation diameter is doubled the adsorption moderates due to the excluded volume effects. The analysis of the integrated charge density and ionic distributions suggests that a delicate balance between charge inversion and screening effects governs the polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent cations.

Measuring the charge density of a tapered optical fiber using trapped microparticles.

PubMed

Kamitani, Kazuhiko; Muranaka, Takuya; Takashima, Hideaki; Fujiwara, Masazumi; Tanaka, Utako; Takeuchi, Shigeki; Urabe, Shinji

2016-03-07

We report the measurements of charge density of tapered optical fibers using charged particles confined in a linear Paul trap at ambient pressure. A tapered optical fiber is placed across the trap axis at a right angle, and polystyrene microparticles are trapped along the trap axis. The distance between the equilibrium position of a positively charged particle and the tapered fiber is used to estimate the amount of charge per unit length of the fiber without knowing the amount of charge of the trapped particle. The charge per unit length of a tapered fiber with a diameter of 1.6 μm was measured to be 2-1+3×10 -11 C/m.

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

PubMed

Gaus, Michael; Cui, Qiang; Elstner, Marcus

2012-04-10

The self-consistent-charge density-functional tight-binding method (SCC-DFTB) is an approximate quantum chemical method derived from density functional theory (DFT) based on a second-order expansion of the DFT total energy around a reference density. In the present study we combine earlier extensions and improve them consistently with, first, an improved Coulomb interaction between atomic partial charges, and second, the complete third-order expansion of the DFT total energy. These modifications lead us to the next generation of the DFTB methodology called DFTB3, which substantially improves the description of charged systems containing elements C, H, N, O, and P, especially regarding hydrogen binding energies and proton affinities. As a result, DFTB3 is particularly applicable to biomolecular systems. Remaining challenges and possible solutions are also briefly discussed.

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.

Flute type micropores activated carbon from cotton stalk for high performance supercapacitors

NASA Astrophysics Data System (ADS)

Tian, Xun; Ma, Hongru; Li, Zhe; Yan, Shaocun; Ma, Lei; Yu, Feng; Wang, Gang; Guo, Xuhong; Ma, Yanqing; Wong, Chingping

2017-08-01

Flute type micropores activated carbon (FTMAC) has been successfully obtained from cotton stalk via KOH-chemical activation method. The synthesized carbon material exhibits an ordered pore structure with high specific surface area of 1964.46 m2 g-1 and pore volume of 1.03 m3 g-1. The assembled FTMAC-based electrode delivers a high specific capacitance of 254 F g-1 at a current density of 0.2 A g-1 in 1 M H2SO4 aqueous electrolyte. It still can maintain 221 F g-1at a current density of 10 A g-1, demonstrating a good rate capacity (87% retention), as well as long cyclic stability of 96% capacitance retention after 10000 charging and discharging cycles at current density of 1 A g-1. Moreover, the symmetric supercapacitor can deliver a high energy density of 18.14 W h kg-1 and a power density of 450.37 W kg-1 which is operated in the voltage range of 0-1.8 V.

Gate-Driven Pure Spin Current in Graphene

NASA Astrophysics Data System (ADS)

Lin, Xiaoyang; Su, Li; Si, Zhizhong; Zhang, Youguang; Bournel, Arnaud; Zhang, Yue; Klein, Jacques-Olivier; Fert, Albert; Zhao, Weisheng

2017-09-01

The manipulation of spin current is a promising solution for low-power devices beyond CMOS. However, conventional methods, such as spin-transfer torque or spin-orbit torque for magnetic tunnel junctions, suffer from large power consumption due to frequent spin-charge conversions. An important challenge is, thus, to realize long-distance transport of pure spin current, together with efficient manipulation. Here, the mechanism of gate-driven pure spin current in graphene is presented. Such a mechanism relies on the electrical gating of carrier-density-dependent conductivity and spin-diffusion length in graphene. The gate-driven feature is adopted to realize the pure spin-current demultiplexing operation, which enables gate-controllable distribution of the pure spin current into graphene branches. Compared with the Elliott-Yafet spin-relaxation mechanism, the D'yakonov-Perel spin-relaxation mechanism results in more appreciable demultiplexing performance. The feature of the pure spin-current demultiplexing operation will allow a number of logic functions to be cascaded without spin-charge conversions and open a route for future ultra-low-power devices.

Charge and Spin Currents in Open-Shell Molecules:  A Unified Description of NMR and EPR Observables.

PubMed

Soncini, Alessandro

2007-11-01

The theory of EPR hyperfine coupling tensors and NMR nuclear magnetic shielding tensors of open-shell molecules in the limit of vanishing spin-orbit coupling (e.g., for organic radicals) is analyzed in terms of spin and charge current density vector fields. The ab initio calculation of the spin and charge current density response has been implemented at the Restricted Open-Shell Hartree-Fock, Unrestricted Hartree-Fock, and unrestricted GGA-DFT level of theory. On the basis of this formalism, we introduce the definition of nuclear hyperfine coupling density, a scalar function of position providing a partition of the EPR observable over the molecular domain. Ab initio maps of spin and charge current density and hyperfine coupling density for small radicals are presented and discussed in order to illustrate the interpretative advantages of the newly introduced approach. Recent NMR experiments providing evidence for the existence of diatropic ring currents in the open-shell singlet pancake-bonded dimer of the neutral phenalenyl radical are directly assessed via the visualization of the induced current density.

Experimental and theoretical charge density studies at subatomic resolution.

PubMed

Fischer, A; Tiana, D; Scherer, W; Batke, K; Eickerling, G; Svendsen, H; Bindzus, N; Iversen, B B

2011-11-17

Analysis of accurate experimental and theoretical structure factors of diamond and silicon reveals that the contraction of the core shell due to covalent bond formation causes significant perturbations of the total charge density that cannot be ignored in precise charge density studies. We outline that the nature and origin of core contraction/expansion and core polarization phenomena can be analyzed by experimental studies employing an extended Hansen-Coppens multipolar model. Omission or insufficient treatment of these subatomic charge density phenomena might yield erroneous thermal displacement parameters and high residual densities in multipolar refinements. Our detailed studies therefore suggest that the refinement of contraction/expansion and population parameters of all atomic shells is essential to the precise reconstruction of electron density distributions by a multipolar model. Furthermore, our results imply that also the polarization of the inner shells needs to be adopted, especially in cases where second row or even heavier elements are involved in covalent bonding. These theoretical studies are supported by direct multipolar refinements of X-ray powder diffraction data of diamond obtained from a third-generation synchrotron-radiation source (SPring-8, BL02B2).

Quantitative nanoscale electrostatics of viruses

NASA Astrophysics Data System (ADS)

Hernando-Pérez, M.; Cartagena-Rivera, A. X.; Lošdorfer Božič, A.; Carrillo, P. J. P.; San Martín, C.; Mateu, M. G.; Raman, A.; Podgornik, R.; de Pablo, P. J.

2015-10-01

Electrostatics is one of the fundamental driving forces of the interaction between biomolecules in solution. In particular, the recognition events between viruses and host cells are dominated by both specific and non-specific interactions and the electric charge of viral particles determines the electrostatic force component of the latter. Here we probe the charge of individual viruses in liquid milieu by measuring the electrostatic force between a viral particle and the Atomic Force Microscope tip. The force spectroscopy data of co-adsorbed φ29 bacteriophage proheads and mature virions, adenovirus and minute virus of mice capsids is utilized for obtaining the corresponding density of charge for each virus. The systematic differences of the density of charge between the viral particles are consistent with the theoretical predictions obtained from X-ray structural data. Our results show that the density of charge is a distinguishing characteristic of each virus, depending crucially on the nature of the viral capsid and the presence/absence of the genetic material.Electrostatics is one of the fundamental driving forces of the interaction between biomolecules in solution. In particular, the recognition events between viruses and host cells are dominated by both specific and non-specific interactions and the electric charge of viral particles determines the electrostatic force component of the latter. Here we probe the charge of individual viruses in liquid milieu by measuring the electrostatic force between a viral particle and the Atomic Force Microscope tip. The force spectroscopy data of co-adsorbed φ29 bacteriophage proheads and mature virions, adenovirus and minute virus of mice capsids is utilized for obtaining the corresponding density of charge for each virus. The systematic differences of the density of charge between the viral particles are consistent with the theoretical predictions obtained from X-ray structural data. Our results show that the density of charge is a distinguishing characteristic of each virus, depending crucially on the nature of the viral capsid and the presence/absence of the genetic material. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr04274g

The impact of hybrid energy storage on power quality, when high power pulsed DC loads are operated on a microgrid testbed

NASA Astrophysics Data System (ADS)

Kelley, Jay Paul

As the Navy's demands for high power transient loads evolves, so too does the need for alternative energy sources to back-up the more traditional power generation. Such applications in need of support include electrical grid backup and directed energy weapon systems such as electromagnetic launchers, laser systems, and high power microwave generators, among others. Among the alternative generation sources receiving considerable attention are energy storage devices such as rechargeable electrochemical batteries and capacitors. In such applications as those mentioned above, these energy storage devices offer the ability to serve a dual role as both a power source to the various loads as well high power loads themselves to the continual generation when the high power transient loads are in periods of downtime. With the recent developments in electrochemical energy storage, lithium-ion batteries (LIBs) seem like the obvious choice, but previous research has shown that the elevated rates of charging can be detrimental to both the cycle life and the operational life span of the device. In order to preserve the batteries, their charge rate must be limited. One proposed method to accomplish the dual role task mentioned above, while preserving the life of the batteries, is by combining high energy density LIBs with high power density electric double layer capacitors (EDLCs) or lithium-ion capacitors (LICs) using controllable power electronics to adjust the flow of power to and from each device. Such a configuration is typically referred to as hybrid energy storage module (HESM). While shipboard generators start up, the combined high energy density and high power density of the HESM provides the capability to source critical loads for an extended period of time at the high rates they demand. Once the generator is operationally efficient, the HESM can act as a high energy reservoir to harvest the energy from the generator while the loads are in short periods of inactivity. This enables the generator to maintain its operation at levels of high efficiency thereby increasing the power quality of the AC bus. The work discussed here is aimed at evaluating how the use of energy storage impacts the power quality on MicroGrid's AC bus when high rate DC and AC loads are sourced simultaneously. Also HESM has been developed and evaluated as a mean to optimizing both the power and energy density of the energy storage installed.

Systematic Approach to Electrostatically Induced 2D Crystallization of Nanoparticles at Liquid Interfaces

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

Fukuto, M.; Kewalramani, S.; Wang, S.

2011-02-07

We report an experimental demonstration of a strategy for inducing two-dimensional (2D) crystallization of charged nanoparticles on oppositely charged fluid interfaces. This strategy aims to maximize the interfacial adsorption of nanoparticles, and hence their lateral packing density, by utilizing a combination of weakly charged particles and a high surface charge density on the planar interface. In order to test this approach, we investigated the assembly of cowpea mosaic virus (CPMV) on positively charged lipid monolayers at the aqueous solution surface, by means of in situ X-ray scattering measurements at the liquid-vapor interface. The assembly was studied as a function ofmore » the solution pH, which was used to vary the charge on CPMV, and of the mole fraction of the cationic lipid in the binary lipid monolayer, which set the interface charge density. The 2D crystallization of CPMV occurred in a narrow pH range just above the particle's isoelectric point, where the particle charge was weakly negative, and only when the cationic-lipid fraction in the monolayer exceeded a threshold. The observed 2D crystals exhibited nearly the same packing density as the densest lattice plane within the known 3D crystals of CPMV. The above electrostatic approach of maximizing interfacial adsorption may provide an efficient route to the crystallization of nanoparticles at aqueous interfaces.« less

Improved charging performance of Li-O2 batteries by forming Ba-incorporated Li2O2 as the discharge product

NASA Astrophysics Data System (ADS)

Matsuda, Shoichi; Uosaki, Kohei; Nakanishi, Shuji

2017-06-01

Although Li-O2 batteries can potentially achieve greater than two-fold higher energy densities than Li-ion batteries, the basic performance of Li-O2 batteries remains poor. In particular, the large over-potential of positive electrode reactions during the charging process results in low round-trip energy efficiency and limited cycle life, and is therefore the main barrier to the practical use of rechargeable Li-O2 batteries. In the present study, we demonstrate that the charging performance of Li-O2 batteries can be significantly improved by simply adding barium (Ba) ions into the electrolyte. Elemental analysis revealed that Ba-incorporated Li2O2 was obtained as the main discharge product of a Li-O2 cell operated in the presence of Ba2+. Notably, the improvement of charging performance was confirmed to originate from the Ba-incorporated Li2O2 deposits, rather than the Ba2+ present in the electrolyte. The present results suggest that the incorporation of heteroatoms into the discharge product is an effective approach for improving the charging performance of Li-O2 batteries.

Evidence for a Peierls phase-transition in a three-dimensional multiple charge-density waves solid

PubMed Central

Mansart, Barbara; Cottet, Mathieu J. G.; Penfold, Thomas J.; Dugdale, Stephen B.; Tediosi, Riccardo; Chergui, Majed; Carbone, Fabrizio

2012-01-01

The effect of dimensionality on materials properties has become strikingly evident with the recent discovery of graphene. Charge ordering phenomena can be induced in one dimension by periodic distortions of a material’s crystal structure, termed Peierls ordering transition. Charge-density waves can also be induced in solids by strong coulomb repulsion between carriers, and at the extreme limit, Wigner predicted that crystallization itself can be induced in an electrons gas in free space close to the absolute zero of temperature. Similar phenomena are observed also in higher dimensions, but the microscopic description of the corresponding phase transition is often controversial, and remains an open field of research for fundamental physics. Here, we photoinduce the melting of the charge ordering in a complex three-dimensional solid and monitor the consequent charge redistribution by probing the optical response over a broad spectral range with ultrashort laser pulses. Although the photoinduced electronic temperature far exceeds the critical value, the charge-density wave is preserved until the lattice is sufficiently distorted to induce the phase transition. Combining this result with ab initio electronic structure calculations, we identified the Peierls origin of multiple charge-density waves in a three-dimensional system for the first time. PMID:22451898

Effect of pectin charge density on formation of multilayer films with chitosan.

PubMed

Kamburova, Kamelia; Milkova, Viktoria; Petkanchin, Ivana; Radeva, Tsetska

2008-04-01

The effect of pectin charge density on the formation of multilayer films with chitosan (PEC/CHI) is studied by means of electro-optics. Pectins of low (21%) and high (71%) degrees of esterification, which are inversely proportional to the pectin charge density, are used to form films on colloidal beta-FeOOH particles at pH 4.0 when the CHI is fully ionized. We find that, after deposition of the first 3-4 layers, the film thickness increases linearly with the number of adsorbed layers. However, the increase in the film thickness is larger when the film is terminated with CHI. Irregular increase of the film thickness is more marked for the PEC with higher density of charge. Oscillation in the electrical polarizability of the film-coated particles with the number of deposited layers is also registered in the PEC/CHI films. The charge balance of the multilayers, calculated from electrical polarizability of the film-coated particles, is positive, with larger excess of positive charge within the film constructed from CHI and less charged PEC. This is attributed to the ability of CHI to diffuse into the film at each deposition step. Despite the CHI diffusion, the film thickness increases linearly due to the dissolution of unstable PEC/CHI complexes from the film surface.

NASCAP modelling of environmental-charging-induced discharges in satellites

NASA Technical Reports Server (NTRS)

Stevens, N. J.; Roche, J. C.

1979-01-01

The charging and discharging characteristics of a typical geosynchronous satellite experiencing time-varying geomagnetic substorms, in sunlight, were studied utilizing the NASA Charging Analyzer Program (NASCAP). An electric field criteria of 150,000 volts/cm to initiate discharges and transfer of 67 percent of the stored charge was used based on ground test results. The substorm characteristics were arbitrarily chosen to evaluate effects of electron temperature and particle density (which is equivalent to current density). It was found that while there is a minimum electron temperature for discharges to occur, the rate of discharges is dependent on particle density and duration times of the encounter. Hence, it is important to define the temporal variations in the substorm environments.

Structure of spherical electric double layers with fully asymmetric electrolytes: a systematic study by Monte Carlo simulations and density functional theory.

PubMed

Patra, Chandra N

2014-11-14

A systematic investigation of the spherical electric double layers with the electrolytes having size as well as charge asymmetry is carried out using density functional theory and Monte Carlo simulations. The system is considered within the primitive model, where the macroion is a structureless hard spherical colloid, the small ions as charged hard spheres of different size, and the solvent is represented as a dielectric continuum. The present theory approximates the hard sphere part of the one particle correlation function using a weighted density approach whereas a perturbation expansion around the uniform fluid is applied to evaluate the ionic contribution. The theory is in quantitative agreement with Monte Carlo simulation for the density and the mean electrostatic potential profiles over a wide range of electrolyte concentrations, surface charge densities, valence of small ions, and macroion sizes. The theory provides distinctive evidence of charge and size correlations within the electrode-electrolyte interface in spherical geometry.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

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

Li, Bin; Gu, Meng; Nie, Zimin

Graphite felts (GFs), as typical electrode materials for all vanadium redox flow batteries (VRBs), limit the cell operation to low current density because of their poor kinetic reversibility and electrochemical activity. Here, in order to address this issue we report an electrocatalyst, Nb2O5, decorating the surface of GFs to reduce the activation barrier for redox conversion. Nb2O5 nanofibers with monoclinic phases are synthesized by hydrothermal method and deposited on GFs, which is confirmed to have catalytic effects towards redox couples of V(II)/V(III) at the negative side and V(IV)/V(V) at the positive side, and thus applied in both electrodes of VRBmore » cells. Due to the low conductivity of Nb2O5, the performance of electrodes heavily depends on the nano size and uniform distribution of catalysts on GFs surfaces. The addition of the water-soluble compounds containing W element into the precursor solutions facilitates the precipitation of nanofibers on the GFs. Accordingly, an optimal amount of W-doped Nb2O5 nanofibers with weaker agglomeration and better distribution on GFs surfaces are obtained, leading to significant improvement of the electrochemical performances of VRB cells particularly under the high power operation. The corresponding energy efficiency is enhanced by 10.7 % under the operation of high charge/discharge current density (150 mA•cm-2) owing to faster charge transfer as compared with that without catalysts. These results suggest that Nb2O5 based nanofibers-decorating GFs hold great promise as high-performance electrodes for VRB applications.« less

Operation of a swept Langmuir probe on a sounding rocket

NASA Astrophysics Data System (ADS)

Robertson, S. H.; Dickson, S.; Friedrich, M.; Sternovsky, Z.

2012-12-01

A swept cylindrical Langmuir probe was operated on two sounding rockets from ~ 60-120 km for the purpose of determining both the ambient electron density and the payload potential relative to the ambient plasma. The rockets were part of the CHAMPS (CHarge And mass of Meteoritic smoke ParticleS) rocket campaign and carried mass analyzers and various plasma probes to study charged meteoritic dust in the mesopause region. The payload potential is an important parameter for data interpretation. The rockets were launched in October of 2011 from Andøya Rocket Range, Norway. The launches were a few days apart with one taking place during the day and the other at night. The swept Langmuir probe data provided a current-voltage characteristic that had a distinct "knee" indicating the onset of electron collection; the probe voltage at this "knee" corresponds to the ambient plasma potential. The data indicate a payload potential of about -2 V to -1 V for both launches. The payload potential becomes less negative for altitudes above 80 km on the day launch due to photoemission. The probe current-voltage data are also compared with ion and electron density measurements from ion probes and Faraday rotation antennas, respectively. The data from the various instruments are in general agreement. Further consideration of the Langmuir probe performance shows that if the probe had been operated with feedback control to continuously collect electrons with a current of order 1 microamp, the probe potential would be an accurate, continuous indicator of the payload potential without the need for sweeping which could periodically alter the payload potential.

Importance of core electrostatic properties on the electrophoresis of a soft particle

NASA Astrophysics Data System (ADS)

De, Simanta; Bhattacharyya, Somnath; Gopmandal, Partha P.

2016-08-01

The impact of the volumetric charged density of the dielectric rigid core on the electrophoresis of a soft particle is analyzed numerically. The volume charge density of the inner core of a soft particle can arise for a dendrimer structure or bacteriophage MS2. We consider the electrokinetic model based on the conservation principles, thus no conditions for Debye length or applied electric field is imposed. The fluid flow equations are coupled with the ion transport equations and the equation for the electric field. The occurrence of the induced nonuniform surface charge density on the outer surface of the inner core leads to a situation different from the existing analysis of a soft particle electrophoresis. The impact of this induced surface charge density together with the double-layer polarization and relaxation due to ion convection and electromigration is analyzed. The dielectric permittivity and the charge density of the core have a significant impact on the particle electrophoresis when the Debye length is in the order of the particle size. We find that by varying the ionic concentration of the electrolyte, the particle can exhibit reversal in its electrophoretic velocity. The role of the polymer layer softness parameter is addressed in the present analysis.

Performance of a vanadium redox flow battery with tubular cell design

NASA Astrophysics Data System (ADS)

Ressel, Simon; Laube, Armin; Fischer, Simon; Chica, Antonio; Flower, Thomas; Struckmann, Thorsten

2017-07-01

We present a vanadium redox flow battery with a tubular cell design which shall lead to a reduction of cell manufacturing costs and the realization of cell stacks with reduced shunt current losses. Charge/discharge cycling and polarization curve measurements are performed to characterize the single test cell performance. A maximum current density of 70 mAcm-2 and power density of 142 Wl-1 (per cell volume) is achieved and Ohmic overpotential is identified as the dominant portion of the total cell overpotential. Cycling displays Coulomb efficiencies of ≈95% and energy efficiencies of ≈55%. During 113 h of operation a stable Ohmic cell resistance is observed.

Direct Analysis of JV-Curves Applied to an Outdoor-Degrading CdTe Module (Presentation)

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

Jordan, D; Kurtz, S.; Ulbrich, C.

2014-03-01

We present the application of a phenomenological four parameter equation to fit and analyze regularly measured current density-voltage JV curves of a CdTe module during 2.5 years of outdoor operation. The parameters are physically meaningful, i.e. the short circuit current density Jsc, open circuit voltage Voc and differential resistances Rsc, and Roc. For the chosen module, the fill factor FF degradation overweighs the degradation of Jsc and Voc. Interestingly, with outdoor exposure, not only the conductance at short circuit, Gsc, increases but also the Gsc(Jsc)-dependence. This is well explained with an increase in voltage dependent charge carrier collection in CdTe.

Study of the Spacecraft Potential Under Active Control and Plasma Density Estimates During the MMS Commissioning Phase

NASA Technical Reports Server (NTRS)

Andriopoulou, M.; Nakamura, R.; Torkar, K.; Baumjohann, W.; Torbert, R. B.; Lindqvist, P.-A.; Khotyaintsev, Y. V.; Dorelli, John Charles; Burch, J. L.; Russell, C. T.

2016-01-01

Each spacecraft of the recently launched magnetospheric multiscale MMS mission is equipped with Active Spacecraft Potential Control (ASPOC) Instruments, which control the spacecraft potential in order to reduce spacecraft charging effects. ASPOC typically reduces the spacecraft potential to a few volts. On several occasions during the commissioning phase of the mission, the ASPOC instruments were operating only on one spacecraft at a time. Taking advantage of such intervals, we derive photoelectron curves and also perform reconstructions of the uncontrolled spacecraft potential for the spacecraft with active control and estimate the electron plasma density during those periods. We also establish the criteria under which our methods can be applied.

Initial operation of the NSTX-Upgrade real-time velocity diagnostic

DOE PAGES

Podestà, M.; Bell, R. E.

2016-11-03

A real-time velocity (RTV) diagnostic based on active charge-exchange recombination spectroscopy is now operational on the National Spherical Torus Experiment-Upgrade (NSTX-U) spherical torus (Menard et al 2012 Nucl. Fusion 52 083015). We designed the system in order to supply plasma velocity data in real time to the NSTX-U plasma control system, as required for the implementation of toroidal rotation control. Our measurements are available from four radii at a maximum sampling frequency of 5 kHz. Post-discharge analysis of RTV data provides additional information on ion temperature, toroidal velocity and density of carbon impurities. Furthermore, examples of physics studies enabled bymore » RTV measurements from initial operations of NSTX-U are discussed.« less

ADDING REALISM TO NUCLEAR MATERIAL DISSOLVING ANALYSIS

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

Williamson, B.

2011-08-15

Two new criticality modeling approaches have greatly increased the efficiency of dissolver operations in H-Canyon. The first new approach takes credit for the linear, physical distribution of the mass throughout the entire length of the fuel assembly. This distribution of mass is referred to as the linear density. Crediting the linear density of the fuel bundles results in using lower fissile concentrations, which allows higher masses to be charged to the dissolver. Also, this approach takes credit for the fact that only part of the fissile mass is wetted at a time. There are multiple assemblies stacked on top ofmore » each other in a bundle. On average, only 50-75% of the mass (the bottom two or three assemblies) is wetted at a time. This means that only 50-75% (depending on operating level) of the mass is moderated and is contributing to the reactivity of the system. The second new approach takes credit for the progression of the dissolving process. Previously, dissolving analysis looked at a snapshot in time where the same fissile material existed both in the wells and in the bulk solution at the same time. The second new approach models multiple consecutive phases that simulate the fissile material moving from a high concentration in the wells to a low concentration in the bulk solution. This approach is more realistic and allows higher fissile masses to be charged to the dissolver.« less

pi-eta mixing and charge symmetry violating NN potential in matter

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

Biswas, Subhrajyoti; Roy, Pradip; Dutt-Mazumder, Abhee K.

2010-06-15

We construct density-dependent class III charge symmetry violating (CSV) potential caused by the mixing of pi-eta mesons with off-shell corrections. The density dependence enters through the nonvanishing pi-eta mixing driven by both the neutron-proton mass difference and their asymmetric density distribution. The contribution of density-dependent mixing to the CSV potential is found to be appreciably larger than that of the vacuum part.

Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

DOE PAGES

Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; ...

2015-08-27

In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for amore » montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.« less

RF Photoelectric injectors using needle cathodes

NASA Astrophysics Data System (ADS)

Lewellen, J. W.; Brau, C. A.

2003-07-01

Photocathode RF guns, in various configurations, are the injectors of choice for both current and future applications requiring high-brightness electron beams. Many of these applications, such as single-pass free-electron lasers, require beams with high brilliance but not necessarily high charge per bunch. Field-enhanced photoelectric emission has demonstrated electron-beam current density as high as 10 10 A/m 2, with a quantum efficiency in the UV that approaches 10% at fields on the order of 10 10 V/m. Thus, the use of even a blunt needle holds promise for increasing cathode quantum efficiency without sacrificing robustness. We present an initial study on the use of needle cathodes in photoinjectors to enhance beam brightness while reducing beam charge. Benefits include lower drive-laser power requirements, easier multibunch operation, lower emittance, and lower beam degradation due to charge-dependent effects in the postinjector accelerator. These benefits result from a combination of a smaller cathode emission area, greatly enhanced RF field strength at the cathode, and the charge scaling of detrimental postinjector linac effects, e.g., transverse wakefields and CSR.

Method of measuring a profile of the density of charged particles in a particle beam

DOEpatents

Hyman, L.G.; Jankowski, D.J.

1975-10-01

A profile of the relative density of charged particles in a beam is obtained by disposing a number of rods parallel to each other in a plane perpendicular to the beam and shadowing the beam. A second number of rods is disposed perpendicular to the first rods in a plane perpendicular to the beam and also shadowing the beam. Irradiation of the rods by the beam of charged particles creates radioactive isotopes in a quantity proportional to the number of charged particles incident upon the rods. Measurement of the radioactivity of each of the rods provides a measure of the quantity of radioactive material generated thereby and, together with the location of the rods, provides information sufficient to identify a profile of the density of charged particles in the beam.

Determination of gas phase protein ion densities via ion mobility analysis with charge reduction.

PubMed

Maisser, Anne; Premnath, Vinay; Ghosh, Abhimanyu; Nguyen, Tuan Anh; Attoui, Michel; Hogan, Christopher J

2011-12-28

We use a charge reduction electrospray (ESI) source and subsequent ion mobility analysis with a differential mobility analyzer (DMA, with detection via both a Faraday cage electrometer and a condensation particle counter) to infer the densities of single and multiprotein ions of cytochrome C, lysozyme, myoglobin, ovalbumin, and bovine serum albumin produced from non-denaturing (20 mM aqueous ammonium acetate) and denaturing (1 : 49.5 : 49.5, formic acid : methanol : water) ESI. Charge reduction is achieved through use of a Po-210 radioactive source, which generates roughly equal concentrations of positive and negative ions. Ions produced by the source collide with and reduce the charge on ESI generated drops, preventing Coulombic fissions, and unlike typical protein ESI, leading to gas-phase protein ions with +1 to +3 excess charges. Therefore, charge reduction serves to effectively mitigate any role that Coulombic stretching may play on the structure of the gas phase ions. Density inference is made via determination of the mobility diameter, and correspondingly the spherical equivalent protein volume. Through this approach it is found that for both non-denaturing and denaturing ESI-generated ions, gas-phase protein ions are relatively compact, with average densities of 0.97 g cm(-3) and 0.86 g cm(-3), respectively. Ions from non-denaturing ESI are found to be slightly more compact than predicted from the protein crystal structures, suggesting that low charge state protein ions in the gas phase are slightly denser than their solution conformations. While a slight difference is detected between the ions produced with non-denaturing and denaturing ESI, the denatured ions are found to be much more dense than those examined previously by drift tube mobility analysis, in which charge reduction was not employed. This indicates that Coulombic stretching is typically what leads to non-compact ions in the gas-phase, and suggests that for gas phase measurements to be correlated to biomolecular structures in solution, low charge state ions should be analyzed. Further, to determine if different solution conditions give rise to ions of different structure, ions of similar charge state should be compared. Non-denatured protein ion densities are found to be in excellent agreement with non-denatured protein ion densities inferred from prior DMA and drift tube measurements made without charge reduction (all ions with densities in the 0.85-1.10 g cm(-3) range), showing that these ions are not strongly influenced by Coulombic stretching nor by analysis method.

Charged Analogues of Henning Knutsen Type Solutions in General Relativity

NASA Astrophysics Data System (ADS)

Gupta, Y. K.; Kumar, Sachin; Pratibha

2011-11-01

In the present article, we have found charged analogues of Henning Knutsen's interior solutions which join smoothly to the Reissner-Nordstrom metric at the pressure free interface. The solutions are singularity free and analyzed numerically with respect to pressure, energy-density and charge-density in details. The solutions so obtained also present the generalization of A.L. Mehra's solutions.

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

Hsieh, AG; Bhadra, S; Hertzberg, BJ

We demonstrate that a simple acoustic time-of-flight experiment can measure the state of charge and state of health of almost any closed battery. An acoustic conservation law model describing the state of charge of a standard battery is proposed, and experimental acoustic results verify the simulated trends; furthermore, a framework relating changes in sound speed, via density and modulus changes, to state of charge and state of health within a battery is discussed. Regardless of the chemistry, the distribution of density within a battery must change as a function of state of charge and, along with density, the bulk modulimore » of the anode and cathode changes as well. The shifts in density and modulus also change the acoustic attenuation in a battery. Experimental results indicating both state-of-charge determination and irreversible physical changes are presented for two of the most ubiquitous batteries in the world, the lithium-ion 18650 and the alkaline LR6 (AA). Overall, a one-or two-point acoustic measurement can be related to the interaction of a pressure wave at multiple discrete interfaces within a battery, which in turn provides insights into state of charge, state of health, and mechanical evolution/degradation.« less

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Depth profile of halide anions under highly charged biological membrane

NASA Astrophysics Data System (ADS)

Sung, Woongmo; Wang, Wenjie; Lee, Jonggwan; Vaknin, David; Kim, Doseok

2015-03-01

Halide ion (Cl- and I-) distribution under a cationic Langmuir monolayer consisting of 1,2-dipalmitoyl-3 trimethylammonium-propane (DPTAP) molecules was investigated by vibrational sum-frequency generation (VSFG) and X-ray spectroscopy. From VSFG spectra, it was observed that large halide anions (I-) screen surface charge more efficiently so that interfacial water alignment becomes more randomized. On the other hand, number density of ions directly measured by X-ray fluorescence spectroscopy at grazing incidence angle reveals that the ion densities within 6 ~ 8 nm are the same for both I- and Cl-. Since the observed ion densities in both cases are almost equal to the charge density of the DPTAP monolayer, we propose that larger halide anions are attracted closer to the surface making direct binding with the charged headgroups of the molecules in the monolayer, accomplishing charge neutrality in short distance. This direct adsorption of anions also disturbs the monolayer structure both in terms of the conformation of alkyl chains and the vertical configuration of the monolayer, with iodine having the stronger effect. Our study shows that the length scale that ions neutralize a charged interface varies significantly and specifically even between monovalent ions.

Spatially-Resolved Beam Current and Charge-State Distributions for the NEXT Ion Engine

NASA Technical Reports Server (NTRS)

Pollard, James E.; Diamant, Kevin D.; Crofton, Mark W.; Patterson, Michael J.; Soulas, George C.

2010-01-01

Plume characterization tests with the 36-cm NEXT ion engine are being performed at The Aerospace Corporation using engineering-model and prototype-model thrusters. We have examined the beam current density and xenon charge-state distribution as functions of position on the accel grid. To measure the current density ratio j++/j+, a collimated Eprobe was rotated through the plume with the probe oriented normal to the accel electrode surface at a distance of 82 cm. The beam current density jb versus radial position was measured with a miniature planar probe at 3 cm from the accel. Combining the j++/j+ and jb data yielded the ratio of total Xe+2 current to total Xe+1 current (J++/J+) at forty operating points in the standard throttle table. The production of Xe+2 and Xe+3 was measured as a function of propellant utilization to support performance and lifetime predictions for an extended throttle table. The angular dependence of jb was measured at intermediate and far-field distances to assist with plume modeling and to evaluate the thrust loss due to beam divergence. Thrust correction factors were derived from the total doubles-to-singles current ratio and from the far-field divergence data

A symmetric supercapacitor/biofuel cell hybrid device based on enzyme-modified nanoporous gold: An autonomous pulse generator.

PubMed

Xiao, Xinxin; Conghaile, Peter Ó; Leech, Dónal; Ludwig, Roland; Magner, Edmond

2017-04-15

The integration of supercapacitors with enzymatic biofuel cells (BFCs) can be used to prepare hybrid devices in order to harvest significantly higher power output. In this study, a supercapacitor/biofuel cell hybrid device was prepared by the immobilisation of redox enzymes with electrodeposited poly(3,4-ethylenedioxythiophene) (PEDOT) and the redox polymer [Os(2,2'-bipyridine) 2 (polyvinylimidazole) 10 Cl] +/2+ (Os(bpy) 2 PVI) on dealloyed nanoporous gold. The thickness of the deposition layer can be easily controlled by tuning the deposition conditions. Once charged by the internal BFC, the device can be discharged as a supercapacitor at a current density of 2mAcm -2 providing a maximum power density of 608.8μWcm -2 , an increase of a factor of 468 when compared to the power output from the BFC itself. The hybrid device exhibited good operational stability for 50 charge/discharge cycles and ca. 7h at a discharge current density of 0.2mAcm -2 . The device could be used as a pulse generator, mimicking a cardiac pacemaker delivering pulses of 10μA for 0.5ms at a frequency of 0.2Hz. Copyright © 2016 Elsevier B.V. All rights reserved.

Devices, systems, and methods for conducting assays with improved sensitivity using sedimentation

DOEpatents

Schaff, Ulrich Y.; Koh, Chung-Yan; Sommer, Gregory J.

2016-04-05

Embodiments of the present invention are directed toward devices, systems, and method for conducting assays using sedimentation. In one example, a method includes layering a mixture on a density medium, subjecting sedimentation particles in the mixture to sedimentation forces to cause the sedimentation particles to move to a detection area through a density medium, and detecting a target analyte in a detection region of the sedimentation channel. In some examples, the sedimentation particles and labeling agent may have like charges to reduce non-specific binding of labeling agent and sedimentation particles. In some examples, the density medium is provided with a separation layer for stabilizing the assay during storage and operation. In some examples, the sedimentation channel may be provided with a generally flat sedimentation chamber for dispersing the particle pellet over a larger surface area.

Devices, systems, and methods for conducting assays with improved sensitivity using sedimentation

DOEpatents

Schaff, Ulrich Y; Koh, Chung-Yan; Sommer, Gregory J

2015-02-24

Embodiments of the present invention are directed toward devices, systems, and method for conducting assays using sedimentation. In one example, a method includes layering a mixture on a density medium, subjecting sedimentation particles in the mixture to sedimentation forces to cause the sedimentation particles to move to a detection area through a density medium, and detecting a target analyte in a detection region of the sedimentation channel. In some examples, the sedimentation particles and labeling agent may have like charges to reduce non-specific binding of labeling agent and sedimentation particles. In some examples, the density medium is provided with a separation layer for stabilizing the assay during storage and operation. In some examples, the sedimentation channel may be provided with a generally flat sedimentation chamber for dispersing the particle pellet over a larger surface area.

Mathematical model of the current density for the 30-cm engineering model thruster

NASA Technical Reports Server (NTRS)

Cuffel, R. F.

1975-01-01

Mathematical models are presented for both the singly and doubly charged ion current densities downstream of the 30-cm engineering model thruster with 0.5% compensated dished grids. These models are based on the experimental measurements of Vahrenkamp at a 2-amp ion beam operating condition. The cylindrically symmetric beam of constant velocity ions is modeled with continuous radial source and focusing functions across 'plane' grids with similar angular distribution functions. A computer program is used to evaluate the double integral for current densities in the near field and to obtain a far field approximation beyond 10 grid radii. The utility of the model is demonstrated for (1) calculating the directed thrust and (2) determining the impingement levels on various spacecraft surfaces from a two-axis gimballed, 2 x 3 thruster array.

Relativistic polytropic spheres with electric charge: Compact stars, compactness and mass bounds, and quasiblack hole configurations

NASA Astrophysics Data System (ADS)

Arbañil, José D. V.; Zanchin, Vilson T.

2018-05-01

We study the static equilibrium configurations of uncharged and charged spheres composed by a relativistic polytropic fluid, and we compare with those of spheres composed by a nonrelativistic polytropic fluid, the later case being already studied in a previous work [J. D. Arbañil, P. S. Lemos, and V. T. Zanchin, Phys. Rev. D 88, 084023 (2013), 10.1103/PhysRevD.88.084023]. An equation of state connecting the pressure p and the energy density ρ is assumed. In the nonrelativistic fluid case, the connection is through a nonrelativistic polytropic equation of state, p =ω ργ , with ω and γ being respectively the polytropic constant and the polytropic exponent. In the relativistic fluid case, the connection is through a relativistic polytropic equation of state, p =ω δγ, with δ =ρ -p /(γ -1 ), and δ being the rest-mass density of the fluid. For the electric charge distribution, we assume that the charge density ρe is proportional to the energy density ρ , ρe=α ρ , with α being a constant such that 0 ≤|α |≤1 . The study is developed by integrating numerically the hydrostatic equilibrium equation. Some properties of the charged spheres such as the gravitational mass, the total electric charge, the radius, the surface redshift, and the speed of sound are analyzed by varying the central rest-mass density, the charge fraction, and the polytropic exponent. In addition, some limits that arise in general relativity, such as the Chandrasekhar limit, the Oppenheimer-Volkoff limit, the Buchdahl bound, and the Buchdahl-Andréasson bound are studied. It is confirmed that charged relativistic polytropic spheres with γ →∞ and α →1 saturate the Buchdahl-Andréasson bound, thus indicating that it reaches the quasiblack hole configuration. We show by means of numerical analysis that, as expected, the major differences between the two cases appear in the high energy density region.

Mid-Latitude Ionospheric Disturbances Due to Geomagnetic Storms at ISS Altitudes

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Willis, Emily M.; Neergaard Parker, Linda

2014-01-01

Spacecraft charging of the International Space Station (ISS) is dominated by interaction of the US high voltage solar arrays with the F2-region ionosphere plasma environment. ISS solar array charging is enhanced in a high electron density environment due to the increased thermal electron currents to the edges of the solar cells. High electron temperature environments suppress charging due to formation of barrier potentials on the charged solar cell cover glass that restrict the charging currents to the cell edge [Mandell et al., 2003]. Environments responsible for strong solar array charging are therefore characterized by high electron densities and low electron temperatures. In support of the ISS space environmental effects engineering community, we are working to understand a number of features of solar array charging and to determine how well future charging behavior can be predicted from in-situ plasma density and temperature measurements. One aspect of this work is a need to characterize the magnitude of electron density and temperature variations that occur at ISS orbital altitudes (approximately 400 km) over time scales of days, the latitudes over which significant variations occur, and the time periods over which the disturbances persist once they start. This presentation provides examples of mid-latitude electron density and temperature disturbances at altitudes relevant to ISS using data sets and tools developed for our ISS plasma environment study. "Mid-latitude" is defined as the extra-tropical region between approx. 30 degrees to approx. 60 degrees magnetic latitude sampled by ISS over its 51.6 degree inclination orbit. We focus on geomagnetic storm periods because storms are well known drivers for disturbances in the ionospheric plasma environment.

Effect of pristine graphene incorporation on charge storage mechanism of three-dimensional graphene oxide: superior energy and power density retention

PubMed Central

Singh, Kiran Pal; Bhattacharjya, Dhrubajyoti; Razmjooei, Fatemeh; Yu, Jong-Sung

2016-01-01

In the race of gaining higher energy density, carbon’s capacity to retain power density is generally lost due to defect incorporation and resistance increment in carbon electrode. Herein, a relationship between charge carrier density/charge movement and supercapacitance performance is established. For this purpose we have incorporated the most defect-free pristine graphene into defective/sacrificial graphene oxide. A unique co-solvent-based technique is applied to get a homogeneous suspension of single to bi-layer graphene and graphene oxide. This suspension is then transformed into a 3D composite structure of pristine graphene sheets (GSs) and defective N-doped reduced graphene oxide (N-RGO), which is the first stable and homogenous 3D composite between GS and RGO to the best of our knowledge. It is found that incorporation of pristine graphene can drastically decrease defect density and thus decrease relaxation time due to improved associations between electrons in GS and ions in electrolyte. Furthermore, N doping is implemented selectively only on RGO and such doping is shown to improve the charge carrier density of the composite, which eventually improves the energy density. After all, the novel 3D composite structure of N-RGO and GS greatly improves energy and power density even at high current density (20 A/g). PMID:27530441

Energy storage device with large charge separation

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

Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei T.

High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

Energy storage device with large charge separation

DOEpatents

Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei

2016-04-12

High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

The impact of hot charge carrier mobility on photocurrent losses in polymer-based solar cells

PubMed Central

Philippa, Bronson; Stolterfoht, Martin; Burn, Paul L.; Juška, Gytis; Meredith, Paul; White, Ronald D.; Pivrikas, Almantas

2014-01-01

A typical signature of charge extraction in disordered organic systems is dispersive transport, which implies a distribution of charge carrier mobilities that negatively impact on device performance. Dispersive transport has been commonly understood to originate from a time-dependent mobility of hot charge carriers that reduces as excess energy is lost during relaxation in the density of states. In contrast, we show via photon energy, electric field and film thickness independence of carrier mobilities that the dispersive photocurrent in organic solar cells originates not from the loss of excess energy during hot carrier thermalization, but rather from the loss of carrier density to trap states during transport. Our results emphasize that further efforts should be directed to minimizing the density of trap states, rather than controlling energetic relaxation of hot carriers within the density of states. PMID:25047086

Structure of Weakly Charged Polyelectrolyte Brushes: Monomer Density Profiles

NASA Astrophysics Data System (ADS)

Borisov, O. V.; Zhulina, E. B.

1997-03-01

The internal structure (the monomer density profiles) of weakly charged polyelectrolyte brushes of different morphologies has been analyzed on the basis of the self-consistent-field approach. In contrast to previous studies based on the local electroneutrality approximation valid for sufficiently strongly charged or densely grafted (“osmotic") brushes we consider the opposite limit of sparse brushes which are unable to retain the counterions inside the brush. We have shown that an exact analytical solution of the SCF-equations is available in the case of a planar brush. In contrast to Gaussian monomer density profile known for “osmotic" polyelectrolyte brushes we have found that weakly charged brushes are characterized by constant monomer density. At the same time free ends of grafted polyions are distributed throughout the brush. Thus, the structural cross-over between polyelectrolyte “mushrooms" and dense brush regimes is established.

Time-dependent transition density matrix for visualizing charge-transfer excitations in photoexcited organic donor-acceptor systems

NASA Astrophysics Data System (ADS)

Li, Yonghui; Ullrich, Carsten

2013-03-01

The time-dependent transition density matrix (TDM) is a useful tool to visualize and interpret the induced charges and electron-hole coherences of excitonic processes in large molecules. Combined with time-dependent density functional theory on a real-space grid (as implemented in the octopus code), the TDM is a computationally viable visualization tool for optical excitation processes in molecules. It provides real-time maps of particles and holes which gives information on excitations, in particular those that have charge-transfer character, that cannot be obtained from the density alone. Some illustration of the TDM and comparison with standard density difference plots will be shown for photoexcited organic donor-acceptor molecules. This work is supported by NSF Grant DMR-1005651

Room temperature deintercalation of alkali metal atoms from epitaxial graphene by formation of charge-transfer complexes

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

Shin, H.-C.; Ahn, S. J.; Kim, H. W.

2016-08-22

Atom (or molecule) intercalations and deintercalations have been used to control the electronic properties of graphene. In general, finite energies above room temperature (RT) thermal energy are required for the intercalations and deintercalations. Here, we demonstrate that alkali metal atoms can be deintercalated from epitaxial graphene on a SiC substrate at RT, resulting in the reduction in density of states at the Fermi level. The change in density of states at the Fermi level at RT can be applied to a highly sensitive graphene sensor operating at RT. Na atoms, which were intercalated at a temperature of 80 °C, were deintercalatedmore » at a high temperature above 1000 °C when only a thermal treatment was used. In contrast to the thermal treatment, the intercalated Na atoms were deintercalated at RT when tetrafluorotetracyanoquinodimethane (F4-TCNQ) molecules were adsorbed on the surface. The RT deintercalation occurred via the formation of charge-transfer complexes between Na atoms and F4-TCNQ molecules.« less

Thick electrodes for Li-ion batteries: A model based analysis

NASA Astrophysics Data System (ADS)

Danner, Timo; Singh, Madhav; Hein, Simon; Kaiser, Jörg; Hahn, Horst; Latz, Arnulf

2016-12-01

Li-ion batteries are commonly used in portable electronic devices due to their outstanding energy and power density. A remaining issue which hinders the breakthrough e.g. in the automotive sector is the high production cost. For low power applications, such as stationary storage, batteries with electrodes thicker than 300 μm were suggested. High energy densities can be attained with only a few electrode layers which reduces production time and cost. However, mass and charge transport limitations can be severe at already small C-rates due to long transport pathways. In this article we use a detailed 3D micro-structure resolved model to investigate limiting factors for battery performance. The model is parametrized with data from the literature and dedicated experiments and shows good qualitative agreement with experimental discharge curves of thick NMC-graphite Li-ion batteries. The model is used to assess the effect of inhomogeneities in carbon black distribution and gives answers to the possible occurrence of lithium plating during battery charge. Based on our simulations we can predict optimal operation strategies and improved design concepts for future Li-ion batteries employing thick electrodes.

Solid-state supercapacitors with rationally designed heterogeneous electrodes fabricated by large area spray processing for wearable energy storage applications.

PubMed

Huang, Chun; Zhang, Jin; Young, Neil P; Snaith, Henry J; Grant, Patrick S

2016-05-10

Supercapacitors are in demand for short-term electrical charge and discharge applications. Unlike conventional supercapacitors, solid-state versions have no liquid electrolyte and do not require robust, rigid packaging for containment. Consequently they can be thinner, lighter and more flexible. However, solid-state supercapacitors suffer from lower power density and where new materials have been developed to improve performance, there remains a gap between promising laboratory results that usually require nano-structured materials and fine-scale processing approaches, and current manufacturing technology that operates at large scale. We demonstrate a new, scalable capability to produce discrete, multi-layered electrodes with a different material and/or morphology in each layer, and where each layer plays a different, critical role in enhancing the dynamics of charge/discharge. This layered structure allows efficient utilisation of each material and enables conservative use of hard-to-obtain materials. The layered electrode shows amongst the highest combinations of energy and power densities for solid-state supercapacitors. Our functional design and spray manufacturing approach to heterogeneous electrodes provide a new way forward for improved energy storage devices.

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.

Universal MOSFET parameter analyzer

NASA Astrophysics Data System (ADS)

Klekachev, A. V.; Kuznetsov, S. N.; Pikulev, V. B.; Gurtov, V. A.

2006-05-01

MOSFET analyzer is developed to extract most important parameters of transistors. Instead of routine DC transfer and output characteristics, analyzer provides an evaluation of interface states density by applying charge pumping technique. There are two features that outperform the analyzer among similar products of other vendors. It is compact (100 × 80 × 50 mm 3 in dimensions) and lightweight (< 200 gram) instrument with ultra low power supply (< 2.5 W). The analyzer operates under control of IBM PC by means of USB interface that simultaneously provides power supply. Owing to the USB-compatible microcontroller as the basic element, designed analyzer offers cost-effective solution for diverse applications. The enclosed software runs under Windows 98/2000/XP operating systems, it has convenient graphical interface simplifying measurements for untrained user. Operational characteristics of analyzer are as follows: gate and drain output voltage within limits of +/-10V measuring current range of 1pA ÷ 10 mA; lowest limit of interface states density characterization of ~10 9 cm -2 • eV -1. The instrument was designed on the base of component parts from CYPRESS and ANALOG DEVICES (USA).

DEM modeling of ball mills with experimental validation: influence of contact parameters on charge motion and power draw

NASA Astrophysics Data System (ADS)

Boemer, Dominik; Ponthot, Jean-Philippe

2017-01-01

Discrete element method simulations of a 1:5-scale laboratory ball mill are presented in this paper to study the influence of the contact parameters on the charge motion and the power draw. The position density limit is introduced as an efficient mathematical tool to describe and to compare the macroscopic charge motion in different scenarios, i.a. with different values of the contact parameters. While the charge motion and the power draw are relatively insensitive to the stiffness and the damping coefficient of the linear spring-slider-damper contact law, the coefficient of friction has a strong influence since it controls the sliding propensity of the charge. Based on the experimental calibration and validation by charge motion photographs and power draw measurements, the descriptive and predictive capabilities of the position density limit and the discrete element method are demonstrated, i.e. the real position of the charge is precisely delimited by the respective position density limit and the power draw can be predicted with an accuracy of about 5 %.

2D Raman band splitting in graphene: Charge screening and lifting of the K-point Kohn anomaly.

PubMed

Wang, Xuanye; Christopher, Jason W; Swan, Anna K

2017-10-19

Pristine graphene encapsulated in hexagonal boron nitride has transport properties rivalling suspended graphene, while being protected from contamination and mechanical damage. For high quality devices, it is important to avoid and monitor accidental doping and charge fluctuations. The 2D Raman double peak in intrinsic graphene can be used to optically determine charge density, with decreasing peak split corresponding to increasing charge density. We find strong correlations between the 2D 1 and 2D 2 split vs 2D line widths, intensities, and peak positions. Charge density fluctuations can be measured with orders of magnitude higher precision than previously accomplished using the G-band shift with charge. The two 2D intrinsic peaks can be associated with the "inner" and "outer" Raman scattering processes, with the counterintuitive assignment of the phonon closer to the K point in the KM direction (outer process) as the higher energy peak. Even low charge screening lifts the phonon Kohn anomaly near the K point for graphene encapsulated in hBN, and shifts the dominant intensity from the lower to the higher energy peak.

X-Ray Sum Frequency Diffraction for Direct Imaging of Ultrafast Electron Dynamics

NASA Astrophysics Data System (ADS)

Rouxel, Jérémy R.; Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul

2018-06-01

X-ray diffraction from molecules in the ground state produces an image of their charge density, and time-resolved x-ray diffraction can thus monitor the motion of the nuclei. However, the density change of excited valence electrons upon optical excitation can barely be monitored with regular diffraction techniques due to the overwhelming background contribution of the core electrons. We present a nonlinear x-ray technique made possible by novel free electron laser sources, which provides a spatial electron density image of valence electron excitations. The technique, sum frequency generation carried out with a visible pump and a broadband x-ray diffraction pulse, yields snapshots of the transition charge densities, which represent the electron density variations upon optical excitation. The technique is illustrated by ab initio simulations of transition charge density imaging for the optically induced electronic dynamics in a donor or acceptor substituted stilbene.

Comparison of direct and flow integration based charge density population analyses.

PubMed

Francisco, E; Martín Pendas, A; Blanco, M A; Costales, A

2007-12-06

Different exhaustive and fuzzy partitions of the molecular electron density (rho) into atomic densities (rho(A)) are used to compute the atomic charges (Q(A)) of a representative set of molecules. The Q(A)'s derived from a direct integration of rho(A) are compared to those obtained from integrating the deformation density rho(def) = rho - rho(0) within each atomic domain. Our analysis shows that the latter methods tend to give Q(A)'s similar to those of the (arbitrary) reference atomic densities rho(A)(0) used in the definition of the promolecular density, rho(0) = SigmaArho(A)(0). Moreover, we show that the basis set independence of these charges is a sign not of their intrinsic quality, as commonly stated, but of the practical insensitivity on the basis set of the atomic domains that are employed in this type of methods.

Second harmonic generation study of malachite green adsorption at the interface between air and an electrolyte solution: observing the effect of excess electrical charge density at the interface.

PubMed

Song, Jinsuk; Kim, Mahn Won

2010-03-11

Understanding the differential adsorption of ions at the interface of an electrolyte solution is very important because it is closely related, not only to the fundamental aspects of biological systems, but also to many industrial applications. We have measured the excess interfacial negative charge density at air-electrolyte solution interfaces by using resonant second harmonic generation of oppositely charged probe molecules. The excess charge density increased with the square root of the bulk electrolyte concentration. A new adsorption model that includes the electrostatic interaction between adsorbed molecules is proposed to explain the measured adsorption isotherm, and it is in good agreement with the experimental results.

Insulator-semiconductor interface fixed charges in AlGaN/GaN metal-insulator-semiconductor devices with Al2O3 or AlTiO gate dielectrics

NASA Astrophysics Data System (ADS)

Le, Son Phuong; Nguyen, Duong Dai; Suzuki, Toshi-kazu

2018-01-01

We have investigated insulator-semiconductor interface fixed charges in AlGaN/GaN metal-insulator-semiconductor (MIS) devices with Al2O3 or AlTiO (an alloy of Al2O3 and TiO2) gate dielectrics obtained by atomic layer deposition on AlGaN. Analyzing insulator-thickness dependences of threshold voltages for the MIS devices, we evaluated positive interface fixed charges, whose density at the AlTiO/AlGaN interface is significantly lower than that at the Al2O3/AlGaN interface. This and a higher dielectric constant of AlTiO lead to rather shallower threshold voltages for the AlTiO gate dielectric than for Al2O3. The lower interface fixed charge density also leads to the fact that the two-dimensional electron concentration is a decreasing function of the insulator thickness for AlTiO, whereas being an increasing function for Al2O3. Moreover, we discuss the relationship between the interface fixed charges and interface states. From the conductance method, it is shown that the interface state densities are very similar at the Al2O3/AlGaN and AlTiO/AlGaN interfaces. Therefore, we consider that the lower AlTiO/AlGaN interface fixed charge density is not owing to electrons trapped at deep interface states compensating the positive fixed charges and can be attributed to a lower density of oxygen-related interface donors.

Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2016-02-09

A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.

Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model.

PubMed

Schuss, Z; Nadler, B; Eisenberg, R S

2001-09-01

Permeation of ions from one electrolytic solution to another, through a protein channel, is a biological process of considerable importance. Permeation occurs on a time scale of micro- to milliseconds, far longer than the femtosecond time scales of atomic motion. Direct simulations of atomic dynamics are not yet possible for such long-time scales; thus, averaging is unavoidable. The question is what and how to average. In this paper, we average a Langevin model of ionic motion in a bulk solution and protein channel. The main result is a coupled system of averaged Poisson and Nernst-Planck equations (CPNP) involving conditional and unconditional charge densities and conditional potentials. The resulting NP equations contain the averaged force on a single ion, which is the sum of two components. The first component is the gradient of a conditional electric potential that is the solution of Poisson's equation with conditional and permanent charge densities and boundary conditions of the applied voltage. The second component is the self-induced force on an ion due to surface charges induced only by that ion at dielectric interfaces. The ion induces surface polarization charge that exerts a significant force on the ion itself, not present in earlier PNP equations. The proposed CPNP system is not complete, however, because the electric potential satisfies Poisson's equation with conditional charge densities, conditioned on the location of an ion, while the NP equations contain unconditional densities. The conditional densities are closely related to the well-studied pair-correlation functions of equilibrium statistical mechanics. We examine a specific closure relation, which on the one hand replaces the conditional charge densities by the unconditional ones in the Poisson equation, and on the other hand replaces the self-induced force in the NP equation by an effective self-induced force. This effective self-induced force is nearly zero in the baths but is approximately equal to the self-induced force in and near the channel. The charge densities in the NP equations are interpreted as time averages over long times of the motion of a quasiparticle that diffuses with the same diffusion coefficient as that of a real ion, but is driven by the averaged force. In this way, continuum equations with averaged charge densities and mean-fields can be used to describe permeation through a protein channel.

Charging in the ac Conductance of a Double Barrier Resonant Tunneling Structure

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Saini, Subhash (Technical Monitor)

1998-01-01

There have been many studies of the linear response ac conductance of a double barrier resonant tunneling structure (DBRTS), both at zero and finite dc biases. While these studies are important, they fail to self consistently include the effect of the time dependent charge density in the well. In this paper, we calculate the ac conductance at both zero and finite do biases by including the effect of the time dependent charge density in the well in a self consistent manner. The charge density in the well contributes to both the flow of displacement currents in the contacts and the time dependent potential in the well. We find that including these effects can make a significant difference to the ac conductance and the total ac current is not equal to the simple average of the non-selfconsistently calculated conduction currents in the two contacts. This is illustrated by comparing the results obtained with and without the effect of the time dependent charge density included correctly. Some possible experimental scenarios to observe these effects are suggested.

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

NASA Astrophysics Data System (ADS)

Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil

2011-07-01

The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.

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.

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.

PubMed

Yang, Weitao; Mori-Sánchez, Paula; Cohen, Aron J

2013-09-14

The exact conditions for density functionals and density matrix functionals in terms of fractional charges and fractional spins are known, and their violation in commonly used functionals has been shown to be the root of many major failures in practical applications. However, approximate functionals are designed for physical systems with integer charges and spins, not in terms of the fractional variables. Here we develop a general framework for extending approximate density functionals and many-electron theory to fractional-charge and fractional-spin systems. Our development allows for the fractional extension of any approximate theory that is a functional of G(0), the one-electron Green's function of the non-interacting reference system. The extension to fractional charge and fractional spin systems is based on the ensemble average of the basic variable, G(0). We demonstrate the fractional extension for the following theories: (1) any explicit functional of the one-electron density, such as the local density approximation and generalized gradient approximations; (2) any explicit functional of the one-electron density matrix of the non-interacting reference system, such as the exact exchange functional (or Hartree-Fock theory) and hybrid functionals; (3) many-body perturbation theory; and (4) random-phase approximations. A general rule for such an extension has also been derived through scaling the orbitals and should be useful for functionals where the link to the Green's function is not obvious. The development thus enables the examination of approximate theories against known exact conditions on the fractional variables and the analysis of their failures in chemical and physical applications in terms of violations of exact conditions of the energy functionals. The present work should facilitate the calculation of chemical potentials and fundamental bandgaps with approximate functionals and many-electron theories through the energy derivatives with respect to the fractional charge. It should play an important role in developing accurate approximate density functionals and many-body theory.

Ambipolar transport in CVD grown MoSe2 monolayer using an ionic liquid gel gate dielectric

NASA Astrophysics Data System (ADS)

Ortiz, Deliris N.; Ramos, Idalia; Pinto, Nicholas J.; Zhao, Meng-Qiang; Kumar, Vinayak; Johnson, A. T. Charlie

2018-03-01

CVD grown MoSe2 monolayers were electrically characterized at room temperature in a field effect transistor (FET) configuration using an ionic liquid (IL) as the gate dielectric. During the growth, instead of using MoO3 powder, ammonium heptamolybdate was used for better Mo control of the source and sodium cholate added for lager MoSe2 growth areas. In addition, a high specific capacitance (˜7 μF/cm2) IL was used as the gate dielectric to significantly reduce the operating voltage. The device exhibited ambipolar charge transport at low voltages with enhanced parameters during n- and p-FET operation. IL gating thins the Schottky barrier at the metal/semiconductor interface permitting efficient charge injection into the channel and reduces the effects of contact resistance on device performance. The large specific capacitance of the IL was also responsible for a much higher induced charge density compared to the standard SiO2 dielectric. The device was successfully tested as an inverter with a gain of ˜2. Using a common metal for contacts simplifies fabrication of this ambipolar device, and the possibility of radiative recombination of holes and electrons could further extend its use in low power optoelectronic applications.

Application of a sodium sulfur cell with dynamic sulfur electrode to a battery system

NASA Astrophysics Data System (ADS)

Tokoi, H.; Takahashi, K.; Shimoyashiki, S.

1992-01-01

The construction and performance of a sodium sulfur battery system with dynamic sulfur electrodes are described. Three cells were first connected in parallel, then two such groups were connected in series. Each cell included a liquid sodium-filled beta-double-prime-alumina tube and a system to feed liquid sulfur into the annular cathode. Low-resistance graphite felt was tightly packed around the beta-double-prime-alumina tube. Sodium pentasulfide was removed from the sulfur electrode. The battery was operated automatically and stably charged and discharged in the two-phase region. The discharged energy was 4372 Wh (capacity 1170 Ah) during a continuous operation of 19.5 h. The discharge/charge energy efficiency of the battery was 82 percent at an averaged current density of 100 mA/sq cm and operating temperature of 350 C. The deviation of the cell current in a parallel chain was less than 7 percent, and this was induced by the difference in internal resistance. In the daily charge/discharge cycle, cell capacity with the dynamic sulfur electrode was 1.5 times higher than that with the static sulfur electrode using the same active surface of beta-double-prime-alumina, because the internal resistance of the former cell was constant regardless of cell capacity. This battery system with a dynamic sulfur electrode can be applied to energy storage systems,such as large scale load leveling systems, electric vehicle batteries, and solar energy systems.

Flexible and Self-Healing Aqueous Supercapacitors for Low Temperature Applications: Polyampholyte Gel Electrolytes with Biochar Electrodes.

PubMed

Li, Xinda; Liu, Li; Wang, Xianzong; Ok, Yong Sik; Elliott, Janet A W; Chang, Scott X; Chung, Hyun-Joong

2017-05-10

A flexible and self-healing supercapacitor with high energy density in low temperature operation was fabricated using a combination of biochar-based composite electrodes and a polyampholyte hydrogel electrolyte. Polyampholytes, a novel class of tough hydrogel, provide self-healing ability and mechanical flexibility, as well as low temperature operation for the aqueous electrolyte. Biochar is a carbon material produced from the low-temperature pyrolysis of biological wastes; the incorporation of reduced graphene oxide conferred mechanical integrity and electrical conductivity and hence the electrodes are called biochar-reduced-graphene-oxide (BC-RGO) electrodes. The fabricated supercapacitor showed high energy density of 30 Wh/kg with ~90% capacitance retention after 5000 charge-discharge cycles at room temperature at a power density of 50 W/kg. At -30 °C, the supercapacitor exhibited an energy density of 10.5 Wh/kg at a power density of 500 W/kg. The mechanism of the low-temperature performance excellence is likely to be associated with the concept of non-freezable water near the hydrophilic polymer chains, which can motivate future researches on the phase behaviour of water near polyampholyte chains. We conclude that the combination of the BC-RGO electrode and the polyampholyte hydrogel electrolyte is promising for supercapacitors for flexible electronics and for low temperature environments.

Estimate of size distribution of charged MSPs measured in situ in winter during the WADIS-2 sounding rocket campaign

NASA Astrophysics Data System (ADS)

Asmus, Heiner; Staszak, Tristan; Strelnikov, Boris; Lübken, Franz-Josef; Friedrich, Martin; Rapp, Markus

2017-08-01

We present results of in situ measurements of mesosphere-lower thermosphere dusty-plasma densities including electrons, positive ions and charged aerosols conducted during the WADIS-2 sounding rocket campaign. The neutral air density was also measured, allowing for robust derivation of turbulence energy dissipation rates. A unique feature of these measurements is that they were done in a true common volume and with high spatial resolution. This allows for a reliable derivation of mean sizes and a size distribution function for the charged meteor smoke particles (MSPs). The mean particle radius derived from Schmidt numbers obtained from electron density fluctuations was ˜ 0.56 nm. We assumed a lognormal size distribution of the charged meteor smoke particles and derived the distribution width of 1.66 based on in situ-measured densities of different plasma constituents. We found that layers of enhanced meteor smoke particles' density measured by the particle detector coincide with enhanced Schmidt numbers obtained from the electron and neutral density fluctuations. Thus, we found that large particles with sizes > 1 nm were stratified in layers of ˜ 1 km thickness and lying some kilometers apart from each other.

Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.

PubMed

Peng, Bo; Yu, Yang-Xin

2009-10-07

The structural and thermodynamic properties for charge symmetric and asymmetric electrolytes as well as mixed electrolyte system inside a charged cylindrical nanopore are investigated using a partially perturbative density functional theory. The electrolytes are treated in the restricted primitive model and the internal surface of the cylindrical nanopore is considered to have a uniform charge density. The proposed theory is directly applicable to the arbitrary mixed electrolyte solution containing ions with the equal diameter and different valences. Large amount of simulation data for ion density distributions, separation factors, and exclusion coefficients are used to determine the range of validity of the partially perturbative density functional theory for monovalent and multivalent counterion systems. The proposed theory is found to be in good agreement with the simulations for both mono- and multivalent counterion systems. In contrast, the classical Poisson-Boltzmann equation only provides reasonable descriptions of monovalent counterion system at low bulk density, and is qualitatively and quantitatively wrong in the prediction for the multivalent counterion systems due to its neglect of the strong interionic correlations in these systems. The proposed density functional theory has also been applied to an electrolyte absorbed into a pore that is a model of the filter of a physiological calcium channel.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

PubMed

Klinkusch, Stefan; Tremblay, Jean Christophe

2016-05-14

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

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

Klinkusch, Stefan; Tremblay, Jean Christophe

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electronmore » ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.« less

International Conference on the Physics of Semiconductors (17th) Held in San Francisco, California on August 6-10, 1984

DTIC Science & Technology

1984-09-30

experimental probe of the Landau level density of states, which we find to be distinctly non -gaussian and in qualitative agreement with theoretical predictions...dispersion on the cleaved Si(111)2xi surface. For good single domain 2x1 surfaces different experimental groups agree on a highly dispersive dangling-bond...work underlies the operation of new devices proposed II] and realized experimentally : a gate controlled microwave generator (2,3J and a charge

A comparative study of kalman filtering based observer and sliding mode observer for state of charge estimation

NASA Astrophysics Data System (ADS)

Ben Sassi, Hicham; Errahimi, Fatima; Es-Sbai, Najia; Alaoui, Chakib

2018-05-01

Nowadays, electric mobility is starting to define society and is becoming more and more irreplaceable and essential to daily activities. Safe and durable battery is of a great significance for this type of mobility, hence the increasing interest of research activity oriented to battery studies, in order to assure safe operating mode and to control the battery in case of any abnormal functioning conditions that could damage the battery if not properly managed. Lithium-ion technology is considered the most suitable existing technology for electrical storage, because of their interesting features such as their relatively long cycle life, lighter weight, their high energy density, However, there is a lot of work that is still needed to be done in order to assure safe operating lithium-ion batteries, starting with their internal status monitoring, cell balancing within a battery pack, and thermal management. Tasks that are accomplished by the battery management system (BMS) which uses the state of charge (SOC) as an indicator of the internal charge level of the battery, in order to avoid unpredicted system interruption. Since the state of charge is an inner state of a the battery which cannot be directly measured, a powerful estimation technique is inevitable, in this paper we investigate the performances of tow estimation strategies; kalman filtering based observers and sliding mode observers, both strategies are compared in terms of accuracy, design requirement, and overall performances.

Probing anode degradation in automotive Li-ion batteries

NASA Astrophysics Data System (ADS)

Kwon, Ou Jung

The lithium-ion battery is drawing attention as a power source for future clean and fuel-efficient vehicles. Although the Li-ion battery presently shows best performance for energy density and power density compared to other rechargeable batteries, some degradation problems still remain as key challenges for long-term durability in automotive applications. Among those problems, Li deposition is well known for causing permanent capacity loss. Fundamental mechanisms of Li deposition in the carbon anode are, however, not fully understood, especially at subzero temperature and/or under high rate charge. This dissertation introduces comprehensive study of Li deposition using automotive 18650 Li-ion cells. The mechanism and relevant diagnostic methods as well as preventive charging protocol are discussed. In part one, a new diagnostic tool is introduced utilizing 3-electrode cell system, which measures thermodynamic and kinetic parameters of cathode and anode, respectively, as a function of temperature and SOC (state of charge): open circuit potential (OCP); Li diffusion coefficient in active particles; and internal resistance. These data are employed to understand electrochemical reaction and its thermal interaction under charging conditions that result in Li deposition. Part two provides a threshold parameter for the onset of Li deposition, which is not commonly used anode potential but charge capacity, or more specifically the amount of Li+ ions participating in intercalation reaction without Li deposition at given charging circumstances. This is called the critical charge capacity in this thesis, beyond which capacity loss at normal operating condition is observed, which becomes more serious as temperature is lowered and/or charge C-rate increases. Based on these experimental results, the mechanism of Li deposition is proposed as the concept of anode particle surface saturation, meaning that once the anode particle surface is saturated with Li in any charging circumstances, no more Li+ ions can be intercalated but should be reduced to metallic form on the anode particle surface. This is validated by calculating the distribution of Li concentration inside the anode particle with electrochemical modeling. In part three, a novel pulse charge protocol is developed, which consists of two steps. First high current charge/discharge pulses increase the cell temperature from a subzero temperature up to above room temperature in a short time, and next, high current charge provides the net charge capacity. Sluggish Li diffusion at low temperature becomes fast thanks to cell temperature elevation by high current pulses (1st step), which plays a role of preventing surface saturation during high current charge (2nd step). Thus, this charge protocol is not only Li deposition-free but also leads to rapid charge at subzero temperatures.

The role of charged particles in the positive corona-generated photon count in a rod to plane air gap

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

Bian, X. M.; Wang, Y. J.; MacAlpine, J. M. K.

The relationship between the calculated charged-particle densities in positive corona, the rate of streamer production, and the photon count from the corona were investigated and found to be closely related. Both the densities of electrons and positive ions peaked at 11.8 kV, near the corona inception voltage; they then fell rapidly before slowly rising again. This behavior was exactly matched by the measured photon count. The calculation of the charged-particle density in a positive corona was achieved by means of a fluid model.

Effects of nonthermal distribution of electrons and polarity of net dust-charge number density on nonplanar dust-ion-acoustic solitary waves.

PubMed

Mamun, A A; Shukla, P K

2009-09-01

Effects of the nonthermal distribution of electrons as well as the polarity of the net dust-charge number density on nonplanar (viz. cylindrical and spherical) dust-ion-acoustic solitary waves (DIASWs) are investigated by employing the reductive perturbation method. It is found that the basic features of the DIASWs are significantly modified by the effects of nonthermal electron distribution, polarity of net dust-charge number density, and nonplanar geometry. The implications of our results in some space and laboratory dusty plasma environments are briefly discussed.

Impacts of oxidants in atomic layer deposition method on Al2O3/GaN interface properties

NASA Astrophysics Data System (ADS)

Taoka, Noriyuki; Kubo, Toshiharu; Yamada, Toshikazu; Egawa, Takashi; Shimizu, Mitsuaki

2018-01-01

The electrical interface properties of GaN metal-oxide-semiconductor (MOS) capacitors with an Al2O3 gate insulator formed by atomic layer deposition method using three kinds of oxidants were investigated by the capacitance-voltage technique, Terman method, and conductance method. We found that O3 and the alternate supply of H2O and O3 (AS-HO) are effective for reducing the interface trap density (D it) at the energy range of 0.15 to 0.30 eV taking from the conduction band minimum. On the other hand, we found that surface potential fluctuation (σs) induced by interface charges for the AS-HO oxidant is much larger than that for a Si MOS capacitor with a SiO2 layer formed by chemical vapor deposition despite the small D it values for the AS-HO oxidant compared with the Si MOS capacitor. This means that the total charged center density including the fixed charge density, charged slow trap density, and charged interface trap density for the GaN MOS capacitor is higher than that for the Si MOS capacitor. Therefore, σs has to be reduced to improve the performances and reliability of GaN devices with the Al2O3/GaN interfaces.

Higgs-mode radiance and charge-density-wave order in 2 H -NbSe2

NASA Astrophysics Data System (ADS)

Grasset, Romain; Cea, Tommaso; Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain; Cario, Laurent; Benfatto, Lara; Méasson, Marie-Aude

2018-03-01

Despite being usually considered two competing phenomena, charge-density wave and superconductivity coexist in few systems, the most emblematic one being the transition-metal dichalcogenide 2 H -NbSe2 . This unusual condition is responsible for specific Raman signatures across the two phase transitions in this compound. While the appearance of a soft phonon mode is a well-established fingerprint of the charge-density-wave order, the nature of the sharp subgap mode emerging below the superconducting temperature is still under debate. In this work we use external pressure as a knob to unveil the delicate interplay between the two orders, and consequently the nature of the superconducting mode. Thanks to an advanced extreme-conditions Raman technique, we are able to follow the pressure evolution and the simultaneous collapse of the two intertwined charge-density-wave and superconducting modes. The comparison with microscopic calculations in a model system supports the Higgs-type nature of the superconducting mode and suggests that charge-density wave and superconductivity in 2 H -NbSe2 involve mutual electronic degrees of freedom. These findings fill the knowledge gap on the electronic mechanisms at play in transition-metal dichalcogenides, a crucial step to fully exploit their properties in few-layer systems optimized for device applications.

Sensing local pH and ion concentration at graphene electrode surfaces using in situ Raman spectroscopy.

PubMed

Shi, Haotian; Poudel, Nirakar; Hou, Bingya; Shen, Lang; Chen, Jihan; Benderskii, Alexander V; Cronin, Stephen B

2018-02-01

We report a novel approach to probe the local ion concentration at graphene/water interfaces using in situ Raman spectroscopy. Here, the upshifts observed in the G band Raman mode under applied electrochemical potentials are used to determine the charge density in the graphene sheet. For voltages up to ±0.8 V vs. NHE, we observe substantial upshifts in the G band Raman mode by as much as 19 cm -1 , which corresponds to electron and hole carrier densities of 1.4 × 10 13 cm -2 and Fermi energy shifts of ±430 meV. The charge density in the graphene electrode is also measured independently using the capacitance-voltage characteristics (i.e., Q = CV), and is found to be consistent with those measured by Raman spectroscopy. From charge neutrality requirements, the ion concentration in solution per unit area must be equal and opposite to the charge density in the graphene electrode. Based on these charge densities, we estimate the local ion concentration as a function of electrochemical potential in both pure DI water and 1 M KCl solutions, which span a pH range from 3.8 to 10.4 for pure DI water and net ion concentrations of ±0.7 mol L -1 for KCl under these applied voltages.

Nanosecond pulsed electric field induced changes in cell surface charge density.

PubMed

Dutta, Diganta; Palmer, Xavier-Lewis; Asmar, Anthony; Stacey, Michael; Qian, Shizhi

2017-09-01

This study reports that the surface charge density changes in Jurkat cells with the application of single 60 nanosecond pulse electric fields, using atomic force microscopy. Using an atomic force microscope tip and Jurkat cells on silica in a 0.01M KCl ionic concentration, we were able to measure the interfacial forces, while also predicting surface charge densities of both Jurkat cell and silica surfaces. The most important finding is that the pulsing conditions varyingly reduced the cells' surface charge density. This offers a novel way in which to examine cellular effects of pulsed electric fields that may lead to the identification of unique mechanical responses. Compared to a single low field strength NsPEF (15kV/cm) application, exposure of Jurkat cells to a single high field strength NsPEF (60kV/cm) resulted in a further reduction in charge density and major morphological changes. The structural, physical, and chemical properties of biological cells immensely influence their electrostatic force; we were able to investigate this through the use of atomic force microscopy by measuring the surface forces between the AFM's tip and the Jurkat cells under different pulsing conditions as well as the interfacial forces in ionic concentrations. Copyright © 2017 Elsevier Ltd. All rights reserved.

Dual gas-diffusion membrane- and mediatorless dihydrogen/air-breathing biofuel cell operating at room temperature

NASA Astrophysics Data System (ADS)

Xia, Hong-qi; So, Keisei; Kitazumi, Yuki; Shirai, Osamu; Nishikawa, Koji; Higuchi, Yoshiki; Kano, Kenji

2016-12-01

A membraneless direct electron transfer (DET)-type dihydrogen (H2)/air-breathing biofuel cell without any mediator was constructed wherein bilirubin oxidase from Myrothecium verrucaria (BOD) and membrane-bound [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F (MBH) were used as biocatalysts for the cathode and the anode, respectively, and Ketjen black-modified water proof carbon paper (KB/WPCC) was used as an electrode material. The KB/WPCC surface was modified with 2-aminobenzoic acid and p-phenylenediamine, respectively, to face the positively charged electron-accepting site of BOD and the negatively charged electron-donating site of MBH to the electrode surface. A gas-diffusion system was employed for the electrodes to realize high-speed substrate supply. As result, great improvement in the current density of O2 reduction with BOD and H2 reduction with MBH were realized at negatively and postively charged surfaces, respectively. Gas diffusion system also suppressed the oxidative inactivation of MBH at high electrode potentials. Finally, based on the improved bioanode and biocathode, a dual gas-diffusion membrane- and mediatorless H2/air-breathing biofuel cell was constructed. The maximum power density reached 6.1 mW cm-2 (at 0.72 V), and the open circuit voltage was 1.12 V using 1 atm of H2 gas as a fuel at room temperature and under passive and quiescent conditions.

Electrostatic Vibration Energy Harvester Pre-charged Wirelessly at 2.45 GHz

NASA Astrophysics Data System (ADS)

Saddi, Z.; Takhedmit, H.; Karami, A.; Basset, P.; Cirio, L.

2016-11-01

This paper reports the design, fabrication and experiments of an electrostatic vibration harvester (e-VEH), pre-charged wirelessly for the first time by using an electromagnetic waves harvester at 2.4 GHz. The rectenna uses the Cockcroft-Walton voltage doubler rectifier. It is designed and optimized to operate at low power densities and provides high voltage levels: 0.5 V at 0.5 μW/cm2 and 0.8 V at 1 μW/cm2 The e-VEH uses the Bennet doubler as conditioning circuit. Experiments show 23 V voltage across the transducer terminal when the harvester is excited at 25 Hz by 1.5 g of external acceleration. An accumulated energy of 275 μJ and a maximum power of 0.4 μW are available for the load.

Distribution of electron density in charged Li@C60 complexes

NASA Astrophysics Data System (ADS)

Sadlej-Sosnowska, Nina; Mazurek, Aleksander P.

2013-08-01

The Letter is an expanded commentary to the paper 'Fullerene as an electron buffer: charge transfer in Li@C60', by Pavanello and co-authors [8]. We calculated the electron density distribution in the space inside and outside the fullerene cage in Li@C60 complexes differing in total charge, based on Gauss's law. It allowed us to determine the charges contained inside surfaces isomorphic with the fullerene cage and contracted or enlarged with respect to the latter. For every complex, a surface was found in the vicinity of the central Li atom such that the charge enclosed within it was equal to +1.

A low-overpotential potassium-oxygen battery based on potassium superoxide.

PubMed

Ren, Xiaodi; Wu, Yiying

2013-02-27

Li-O(2) battery is regarded as one of the most promising energy storage systems for future applications. However, its energy efficiency is greatly undermined by the large overpotentials of the discharge (formation of Li(2)O(2)) and charge (oxidation of Li(2)O(2)) reactions. The parasitic reactions of electrolyte and carbon electrode induced by the high charging potential cause the decay of capacity and limit the battery life. Here, a K-O(2) battery is report that uses K(+) ions to capture O(2)(-) to form the thermodynamically stable KO(2) product. This allows for the battery to operate through the one-electron redox process of O(2)/O(2)(-). Our studies confirm the formation and removal of KO(2) in the battery cycle test. Furthermore, without the use of catalysts, the battery shows a low discharge/charge potential gap of less than 50 mV at a modest current density, which is the lowest one that has ever been reported in metal-oxygen batteries.

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

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.

Modulated two-dimensional charge-carrier density in LaTiO3-layer-doped LaAlO3/SrTiO3 heterostructure.

PubMed

Nazir, Safdar; Bernal, Camille; Yang, Kesong

2015-03-11

The highly mobile two-dimensional electron gas (2DEG) formed at the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) is a matter of great interest because of its potential applications in nanoscale solid-state devices. To realize practical implementation of the 2DEG in device design, desired physical properties such as tuned charge carrier density and mobility are necessary. In this regard, polar perovskite-based transition metal oxides can act as doping layers at the interface and are expected to tune the electronic properties of 2DEG of STO-based HS systems dramatically. Herein, we investigated the doping effects of LaTiO3(LTO) layers on the electronic properties of 2DEG at n-type (LaO)(+1)/(TiO2)(0) interface in the LAO/STO HS using spin-polarized density functional theory calculations. Our results indicate an enhancement of orbital occupation near the Fermi energy, which increases with respect to the number of LTO unit cells, resulting in a higher charge carrier density of 2DEG than that of undoped system. The enhanced charge carrier density is attributed to an extra electron introduced by the Ti 3d(1) orbitals from the LTO dopant unit cells. This conclusion is consistent with the recent experimental findings (Appl. Phys. Lett. 2013, 102, 091601). Detailed charge density and partial density of states analysis suggests that the 2DEG in the LTO-doped HS systems primarily comes from partially occupied dyz and dxz orbitals.

Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling.

PubMed

Jarzembska, Katarzyna N; Řlepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J; Dominiak, Paulina M; Woźniak, Krzysztof

2017-08-01

Uridine, a nucleoside formed of a uracil fragment attached to a ribose ring via a β-N1-glycosidic bond, is one of the four basic components of ribonucleic acid. Here a new anhydrous structure and experimental charge density distribution analysis of a uridine-5'-monophosphate potassium salt, K(UMPH), is reported. The studied case constitutes the very first structure of a 5'-nucleotide potassium salt according to the Cambridge Structural Database. The excellent crystal quality allowed the collection of charge density data at various temperatures, i.e. 10, 100, 200 and 300 K on one single crystal. Crystal structure and charge density data were analysed thoroughly in the context of related literature-reported examples. Detailed analysis of the charge density distribution revealed elevated anharmonic motion of part of the uracil ring moiety relatively weakly interacting with the neighbouring species. The effect was manifested by alternate positive and negative residual density patterns observed for these atoms, which `disappear' at low temperature. It also occurred that the potassium cation, quite uniformly coordinated by seven O atoms from all molecular fragments of the UMPH - anion, including the O atom from the ribofuranose ring, can be treated as spherical in the charge density model which was supported by theoretical calculations. Apart from the predominant electrostatic interactions, four relatively strong hydrogen bond types further support the stability of the crystal structure. This results in a compact and quite uniform structure (in all directions) of the studied crystal, as opposed to similar cases with layered architecture reported in the literature.

Two-dimensional relativistic space charge limited current flow in the drift space

NASA Astrophysics Data System (ADS)

Liu, Y. L.; Chen, S. H.; Koh, W. S.; Ang, L. K.

2014-04-01

Relativistic two-dimensional (2D) electrostatic (ES) formulations have been derived for studying the steady-state space charge limited (SCL) current flow of a finite width W in a drift space with a gap distance D. The theoretical analyses show that the 2D SCL current density in terms of the 1D SCL current density monotonically increases with D/W, and the theory recovers the 1D classical Child-Langmuir law in the drift space under the approximation of uniform charge density in the transverse direction. A 2D static model has also been constructed to study the dynamical behaviors of the current flow with current density exceeding the SCL current density, and the static theory for evaluating the transmitted current fraction and minimum potential position have been verified by using 2D ES particle-in-cell simulation. The results show the 2D SCL current density is mainly determined by the geometrical effects, but the dynamical behaviors of the current flow are mainly determined by the relativistic effect at the current density exceeding the SCL current density.

Tin Dioxide Electrolyte-Gated Transistors Working in Depletion and Enhancement Modes.

PubMed

Valitova, Irina; Natile, Marta Maria; Soavi, Francesca; Santato, Clara; Cicoira, Fabio

2017-10-25

Metal oxide semiconductors are interesting for next-generation flexible and transparent electronics because of their performance and reliability. Tin dioxide (SnO 2 ) is a very promising material that has already found applications in sensing, photovoltaics, optoelectronics, and batteries. In this work, we report on electrolyte-gated, solution-processed polycrystalline SnO 2 transistors on both rigid and flexible substrates. For the transistor channel, we used both unpatterned and patterned SnO 2 films. Since decreasing the SnO 2  area in contact with the electrolyte increases the charge-carrier density, patterned transistors operate in the depletion mode, whereas unpatterned ones operate in the enhancement mode. We also fabricated flexible SnO 2 transistors that operate in the enhancement mode that can withstand moderate mechanical bending.

Collective charge excitations and the metal-insulator transition in the square lattice Hubbard-Coulomb model

DOE PAGES

Ulybyshev, Maksim; Winterowd, Christopher; Zafeiropoulos, Savvas

2017-11-09

Here in this article, we discuss the nontrivial collective charge excitations (plasmons) of the extended square lattice Hubbard model. Using a fully nonperturbative approach, we employ the hybrid Monte Carlo algorithm to simulate the system at half-filling. A modified Backus-Gilbert method is introduced to obtain the spectral functions via numerical analytic continuation. We directly compute the single-particle density of states which demonstrates the formation of Hubbard bands in the strongly correlated phase. The momentum-resolved charge susceptibility also is computed on the basis of the Euclidean charge-density-density correlator. In agreement with previous extended dynamical mean-field theory studies, we find that, atmore » high strength of the electron-electron interaction, the plasmon dispersion develops two branches.« less

Collective charge excitations and the metal-insulator transition in the square lattice Hubbard-Coulomb model

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

Ulybyshev, Maksim; Winterowd, Christopher; Zafeiropoulos, Savvas

Here in this article, we discuss the nontrivial collective charge excitations (plasmons) of the extended square lattice Hubbard model. Using a fully nonperturbative approach, we employ the hybrid Monte Carlo algorithm to simulate the system at half-filling. A modified Backus-Gilbert method is introduced to obtain the spectral functions via numerical analytic continuation. We directly compute the single-particle density of states which demonstrates the formation of Hubbard bands in the strongly correlated phase. The momentum-resolved charge susceptibility also is computed on the basis of the Euclidean charge-density-density correlator. In agreement with previous extended dynamical mean-field theory studies, we find that, atmore » high strength of the electron-electron interaction, the plasmon dispersion develops two branches.« less

Absolute atomic hydrogen densities in a radio frequency discharge measured by two-photon laser induced fluorescence imaging

NASA Astrophysics Data System (ADS)

Chérigier, L.; Czarnetzki, U.; Luggenhölscher, D.; Schulz-von der Gathen, V.; Döbele, H. F.

1999-01-01

Absolute atomic hydrogen densities were measured in the gaseous electronics conference reference cell parallel plate reactor by Doppler-free two-photon absorption laser induced fluorescence spectroscopy (TALIF) at λ=205 nm. The capacitively coupled radio frequency discharge was operated at 13.56 MHz in pure hydrogen under various input power and pressure conditions. The Doppler-free excitation technique with an unfocused laser beam together with imaging the fluorescence radiation by an intensified charge coupled device camera allows instantaneous spatial resolution along the radial direction. Absolute density calibration is obtained with the aid of a flow tube reactor and titration with NO2. The influence of spatial intensity inhomogenities along the laser beam and subsequent fluorescence are corrected by TALIF in xenon. A full mapping of the absolute density distribution between the electrodes was obtained. The detection limit for atomic hydrogen amounts to about 2×1018 m-3. The dissociation degree is of the order of a few percent.

Asymmetric Supercapacitor Electrodes and Devices.

PubMed

Choudhary, Nitin; Li, Chao; Moore, Julian; Nagaiah, Narasimha; Zhai, Lei; Jung, Yeonwoong; Thomas, Jayan

2017-06-01

The world is recently witnessing an explosive development of novel electronic and optoelectronic devices that demand more-reliable power sources that combine higher energy density and longer-term durability. Supercapacitors have become one of the most promising energy-storage systems, as they present multifold advantages of high power density, fast charging-discharging, and long cyclic stability. However, the intrinsically low energy density inherent to traditional supercapacitors severely limits their widespread applications, triggering researchers to explore new types of supercapacitors with improved performance. Asymmetric supercapacitors (ASCs) assembled using two dissimilar electrode materials offer a distinct advantage of wide operational voltage window, and thereby significantly enhance the energy density. Recent progress made in the field of ASCs is critically reviewed, with the main focus on an extensive survey of the materials developed for ASC electrodes, as well as covering the progress made in the fabrication of ASC devices over the last few decades. Current challenges and a future outlook of the field of ASCs are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diffusion of Conserved Charges in Relativistic Heavy Ion Collisions

NASA Astrophysics Data System (ADS)

Greif, Moritz; Fotakis, Jan. A.; Denicol, Gabriel S.; Greiner, Carsten

2018-06-01

We demonstrate that the diffusion currents do not depend only on gradients of their corresponding charge density, but that the different diffusion charge currents are coupled. This happens in such a way that it is possible for density gradients of a given charge to generate dissipative currents of another charge. Within this scheme, the charge diffusion coefficient is best viewed as a matrix, in which the diagonal terms correspond to the usual charge diffusion coefficients, while the off-diagonal terms describe the coupling between the different currents. In this Letter, we calculate for the first time the complete diffusion matrix for hot and dense nuclear matter, including baryon, electric, and strangeness charges. We find that the baryon diffusion current is strongly affected by baryon charge gradients but also by its coupling to gradients in strangeness. The electric charge diffusion current is found to be strongly affected by electric and strangeness gradients, whereas strangeness currents depend mostly on strange and baryon gradients.

Opportunities for Utilizing the International Space Station for Studies of F2- Region Plasma Science and High Voltage Solar Array Interactions with the Plasma Environment

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Coffey, Victoria; Wright, Kenneth; Craven, Paul; Koontz, Steven

2010-01-01

The near circular, 51.6deg inclination orbit of the International Space Station (ISS) is maintained within an altitude range of approximately 300 km to 400 km providing an ideal platform for conducting in-situ studies of space weather effects on the mid and low-latitude F-2 region ionosphere. The Floating Potential Measurement Unit (FPMU) is a suite of instruments installed on the ISS in August 2006 which includes a Floating Potential Probe (FPP), a Plasma Impedance Probe (PIP), a Wide-sweep Langmuir Probe (WLP), and a Narrow-sweep Langmuir Probe (NLP). The primary purpose for deploying the FPMU is to characterize ambient plasma temperatures and densities in which the ISS operates and to obtain measurements of the ISS potential relative to the space plasma environment for use in characterizing and mitigating spacecraft charging hazards to the vehicle and crew. In addition to the engineering goals, data from the FPMU instrument package is available for collaborative multi-satellite and ground based instrument studies of the F-region ionosphere during both quiet and disturbed periods. Finally, the FPMU measurements supported by ISS engineering telemetry data provides a unique opportunity to investigate interactions of the ISS high voltage (160 volt) solar array system with the plasma environment. This presentation will provide examples of FPMU measurements along the ISS orbit including night-time equatorial plasma density depletions sampled near the peak electron density in the F2-region ionosphere, charging phenomenon due to interaction of the ISS solar arrays with the plasma environment, and modification of ISS charging due to visiting vehicles demonstrating the capabilities of the FPMU probes for monitoring mid and low latitude plasma processes as well as vehicle interactions with the plasma environment.

Laser detonator development for test-firing applications

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

Munger, A. C.; Thomas, K. A.; Kennedy, J. E.

2004-01-01

Los Alamos National Laboratory has historically fielded two types of electro-explosive detonators. The exploding-bridgewire detonator (EBW) has an exploding wire as the initiating element, a low-density transfer charge and a high-density output pellet. The slapper detonator, or exploding-foil initiator (EFI), utilizes an exploding foil to drive a flying plate element into a high-density output pellet. The last twenty years has seen various research and development activities from many laboratories and manufacturing facilities around the world to develop laser-driven analogs of these devices, but to our knowledge none of those is in general use. Los Alamos is currently committed to designmore » and manufacture a laser analog to the long-standing, generic, general-purpose SE-1 EBW detonator, which is intended to provide increased safety in large-scale test-firing operations. This paper will discuss the major design parameters of this laser detonator and present some preliminary testing results.« less

Charge-induced geometrical reorganization of DNA oligonucleotides studied by tandem mass spectrometry and ion mobility.

PubMed

Ickert, Stefanie; Hofmann, Johanna; Riedel, Jens; Beck, Sebastian; Pagel, Kevin; Linscheid, Michael W

2018-04-01

Mass spectrometry is applied as a tool for the elucidation of molecular structures. This premises that gas-phase structures reflect the original geometry of the analytes, while it requires a thorough understanding and investigation of the forces controlling and affecting the gas-phase structures. However, only little is known about conformational changes of oligonucleotides in the gas phase. In this study, a series of multiply charged DNA oligonucleotides (n = 15-40) has been subjected to a comprehensive tandem mass spectrometric study to unravel transitions between different ionic gas-phase structures. The nucleobase sequence and the chain length were varied to gain insights into their influence on the geometrical oligonucleotide organization. Altogether, 23 oligonucleotides were analyzed using collision-induced fragmentation. All sequences showed comparable correlation regarding the characteristic collision energy. This value that is also a measure for stability, strongly correlates with the net charge density of the precursor ions. With decreasing charge of the oligonucleotides, an increase in the fragmentation energy was observed. At a distinct charge density, a deviation from linearity was observed for all studied species, indicating a structural reorganization. To corroborate the proposed geometrical change, collisional cross-sections of the oligonucleotides at different charge states were determined using ion mobility-mass spectrometry. The results clearly indicate that an increase in charge density and thus Coulomb repulsion results in the transition from a folded, compact form to elongated structures of the precursor ions. Our data show this structural transition to depend mainly on the charge density, whereas sequence and size do not have an influence.

Enhancing power density of biophotovoltaics by decoupling storage and power delivery

NASA Astrophysics Data System (ADS)

Saar, Kadi L.; Bombelli, Paolo; Lea-Smith, David J.; Call, Toby; Aro, Eva-Mari; Müller, Thomas; Howe, Christopher J.; Knowles, Tuomas P. J.

2018-01-01

Biophotovoltaic devices (BPVs), which use photosynthetic organisms as active materials to harvest light, have a range of attractive features relative to synthetic and non-biological photovoltaics, including their environmentally friendly nature and ability to self-repair. However, efficiencies of BPVs are currently lower than those of synthetic analogues. Here, we demonstrate BPVs delivering anodic power densities of over 0.5 W m-2, a value five times that for previously described BPVs. We achieved this through the use of cyanobacterial mutants with increased electron export characteristics together with a microscale flow-based design that allowed independent optimization of the charging and power delivery processes, as well as membrane-free operation by exploiting laminar flow to separate the catholyte and anolyte streams. These results suggest that miniaturization of active elements and flow control for decoupled operation and independent optimization of the core processes involved in BPV design are effective strategies for enhancing power output and thus the potential of BPVs as viable systems for sustainable energy generation.

Experimental evidence of mobility enhancement in short-channel ultra-thin body double-gate MOSFETs by magnetoresistance technique

NASA Astrophysics Data System (ADS)

Chaisantikulwat, W.; Mouis, M.; Ghibaudo, G.; Cristoloveanu, S.; Widiez, J.; Vinet, M.; Deleonibus, S.

2007-11-01

Double-gate transistor with ultra-thin body (UTB) has proved to offer advantages over bulk device for high-speed, low-power applications. There is thus a strong need to obtain an accurate understanding of carrier transport and mobility in such device. In this work, we report for the first time an experimental evidence of mobility enhancement in UTB double-gate (DG) MOSFETs using magnetoresistance mobility extraction technique. Mobility in planar DG transistor operating in single- and double-gate mode is compared. The influence of different scattering mechanisms in the channel is also investigated by obtaining mobility values at low temperatures. The results show a clear mobility improvement in double-gate mode compared to single-gate mode mobility at the same inversion charge density. This is explained by the role of volume inversion in ultra-thin body transistor operating in DG mode. Volume inversion is found to be especially beneficial in terms of mobility gain at low-inversion densities.

Injection-modulated polarity conversion by charge carrier density control via a self-assembled monolayer for all-solution-processed organic field-effect transistors

NASA Astrophysics Data System (ADS)

Roh, Jeongkyun; Lee, Taesoo; Kang, Chan-Mo; Kwak, Jeonghun; Lang, Philippe; Horowitz, Gilles; Kim, Hyeok; Lee, Changhee

2017-04-01

We demonstrated modulation of charge carrier densities in all-solution-processed organic field-effect transistors (OFETs) by modifying the injection properties with self-assembled monolayers (SAMs). The all-solution-processed OFETs based on an n-type polymer with inkjet-printed Ag electrodes were fabricated as a test platform, and the injection properties were modified by the SAMs. Two types of SAMs with different dipole direction, thiophenol (TP) and pentafluorobenzene thiol (PFBT) were employed, modifying the work function of the inkjet-printed Ag (4.9 eV) to 4.66 eV and 5.24 eV with TP and PFBT treatments, respectively. The charge carrier densities were controlled by the SAM treatment in both dominant and non-dominant carrier-channel regimes. This work demonstrates that control of the charge carrier densities can be efficiently achieved by modifying the injection property with SAM treatment; thus, this approach can achieve polarity conversion of the OFETs.

Validation of ISS Floating Potential Measurement Unit Electron Densities and Temperatures

NASA Technical Reports Server (NTRS)

Coffey, Victoria N.; Minow, Joseph I.; Parker, Linda N.; Bui, Them; Wright, Kenneth, Jr.; Koontz, Steven L.; Schneider, T.; Vaughn, J.; Craven, P.

2007-01-01

Validation of the Floating Potential Measurement Unit (FPMU) electron density and temperature measurements is an important step in the process of evaluating International Space Station spacecraft charging issues .including vehicle arcing and hazards to crew during extravehicular activities. The highest potentials observed on Space Station are due to the combined VxB effects on a large spacecraft and the collection of ionospheric electron and ion currents by the 160 V US solar array modules. Ionospheric electron environments are needed for input to the ISS spacecraft charging models used to predict the severity and frequency of occurrence of ISS charging hazards. Validation of these charging models requires comparing their predictions with measured FPMU values. Of course, the FPMU measurements themselves must also be validated independently for use in manned flight safety work. This presentation compares electron density and temperatures derived from the FPMU Langmuir probes and Plasma Impedance Probe against the independent density and temperature measurements from ultraviolet imagers, ground based incoherent scatter radar, and ionosonde sites.

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

Chen, P.; Pai, Woei Wu; Chan, Y. -H.

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

Removal of dissolved organic matter by anion exchange: Effect of dissolved organic matter properties

USGS Publications Warehouse

Boyer, T.H.; Singer, P.C.; Aiken, G.R.

2008-01-01

Ten isolates of aquatic dissolved organic matter (DOM) were evaluated to determine the effect that chemical properties of the DOM, such as charge density, aromaticity, and molecular weight, have on DOM removal by anion exchange. The DOM isolates were characterized asterrestrial, microbial, or intermediate humic substances or transphilic acids. All anion exchange experiments were conducted using a magnetic ion exchange (MIEX) resin. The charge density of the DOM isolates, determined by direct potentiometric titration, was fundamental to quantifying the stoichiometry of the anion exchange mechanism. The results clearly show that all DOM isolates were removed by anion exchange; however, differences among the DOM isolates did influence their removal by MIEX resin. In particular, MIEX resin had the greatest affinity for DOM with high charge density and the least affinity for DOM with low charge density and low aromaticity. This work illustrates that the chemical characteristics of DOM and solution conditions must be considered when evaluating anion exchange treatment for the removal of DOM. ?? 2008 American Chemical Society.

Organic electrical double layer transistors gated with ionic liquids

NASA Astrophysics Data System (ADS)

Xie, Wei; Frisbie, C. Daniel

2011-03-01

Transport in organic semiconductors gated with several types of ionic liquids has been systematically studied at charge densities larger than 1013 cm-2 . We observe a pronounced maximum in channel conductance for both p-type and n-type organic single crystals which is attributed to carrier localization at the semiconductor-electrolyte interface. Carrier mobility, as well as charge density and dielectric capacitance are determined through displacement current measurement and capacitance-voltage measurement. By using a larger-sized and spherical anion, tris(pentafluoroethyl)trifluorophosphate (FAP), effective carrier mobility in rubrene can be enhanced substantially up to 3.2 cm2 V-1 s -1 . Efforts have been made to maximize the charge density in rubrene single crystals, and at low temperature when higher gate bias can be applied, charge density can more than double the amount of that at room temperature, reaching 8*1013 cm-2 holes (0.4 holes per rubrene molecule). NSF MRSEC program at the University of Minnesota.

A Protocol for Electrochemical Evaluations and State of Charge Diagnostics of a Symmetric Organic Redox Flow Battery

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

Duan, Wentao; Vemuri, Rama S.; Hu, Dehong

Redox flow batteries have been considered as one of the most promising stationary energy storage solutions for improving the reliability of the power grid and deployment of renewable energy technologies. Among the many flow battery chemistries, nonaqueous flow batteries have the potential to achieve high energy density because of the broad voltage windows of nonaqueous electrolytes. However, significant technical hurdles exist currently limiting nonaqueous flow batteries to demonstrate their full potential, such as low redox concentrations, low operating currents, under-explored battery status monitoring, etc. In an attempt to address these limitations, we report a nonaqueous flow battery based on amore » highly soluble, redox-active organic nitronyl nitroxide radical compound, 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (PTIO). This redox materials exhibits an ambipolar electrochemical property with two reversible redox pairs that are moderately separated by a voltage gap of ~1.7 V. Therefore, PTIO can serve as both anolyte and catholyte redox materials to form a symmetric flow battery chemistry, which affords the advantages such as high effective redox concentrations and low irreversible redox material crossover. The PTIO flow battery shows decent electrochemical cyclability under cyclic voltammetry and flow cell conditions; an improved redox concentration of 0.5 M PTIO and operational current density of 20 mA cm-2 were achieved in flow cell tests. Moreover, we show that Fourier transform infrared (FTIR) spectroscopy could measure the PTIO concentrations during the PTIO flow battery cycling and offer reasonably accurate detection of the battery state of charge (SOC) as cross-validated by electron spin resonance measurements. This study suggests FTIR can be used as a reliable online SOC sensor to monitor flow battery status and ensure battery operations stringently in a safe SOC range.« less

Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state.

PubMed

Sukhomlinov, Sergey V; Müser, Martin H

2015-12-14

In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, P(C) ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state

NASA Astrophysics Data System (ADS)

Sukhomlinov, Sergey V.; Müser, Martin H.

2015-12-01

In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, PC ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

Nuclear charge radii: density functional theory meets Bayesian neural networks

NASA Astrophysics Data System (ADS)

Utama, R.; Chen, Wei-Chia; Piekarewicz, J.

2016-11-01

The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. The aim of this study is to explore a novel approach that combines sophisticated models of nuclear structure with Bayesian neural networks (BNN) to generate predictions for the charge radii of thousands of nuclei throughout the nuclear chart. A class of relativistic energy density functionals is used to provide robust predictions for nuclear charge radii. In turn, these predictions are refined through Bayesian learning for a neural network that is trained using residuals between theoretical predictions and the experimental data. Although predictions obtained with density functional theory provide a fairly good description of experiment, our results show significant improvement (better than 40%) after BNN refinement. Moreover, these improved results for nuclear charge radii are supplemented with theoretical error bars. We have successfully demonstrated the ability of the BNN approach to significantly increase the accuracy of nuclear models in the predictions of nuclear charge radii. However, as many before us, we failed to uncover the underlying physics behind the intriguing behavior of charge radii along the calcium isotopic chain.

Structure and capacitance of an electric double layer of an asymmetric valency dimer electrolyte: A comparison of the density functional theory with Monte Carlo simulations

DOE PAGES

Henderson, Douglas; Silvestre-Alcantara, Whasington; Kaja, Monika; ...

2016-08-18

Here, the density functional theory is applied to a study of the structure and differential capacitance of a planar electric double layer formed by a valency asymmetric mixture of charged dimers and monomers. The dimer consists of two tangentially tethered hard spheres of equal diameters of which one is charged and the other is neutral, while the monomer is a charged hard sphere of the same size. The dimer electrolyte is next to a uniformly charged, smooth planar electrode. The electrode-particle singlet distributions, the mean electrostatic potential, and the differential capacitance for the model double layer are evaluated for amore » 2:1/1:2 valency electrolyte at a given concentration. Important consequences of asymmetry in charges and in ion shapes are (i) a finite, non-zero potential of zero charge, and (ii) asymmetric shaped 2:1 and 1:2 capacitance curves which are not mirror images of each other. Comparisons of the density functional results with the corresponding Monte Carlo simulations show the theoretical predictions to be in good agreement with the simulations overall except near zero surface charge.« less

Chiral charge and orbital order in 1T-TiSe2

NASA Astrophysics Data System (ADS)

van Wezel, Jasper

2012-02-01

Helical arrangements of spins are common among magnetic materials. The first material to harbor a corkscrew pattern of charge density on the other hand, was discovered only very recently [1,2]. The nature of the order parameter is of key relevance, since rotating a magnetic vector around any propagation vector trivially yields a helical pattern. In contrast, the purely scalar charge density cannot straightforwardly support a chiral state. Here we resolve this paradox by identifying the microscopic mechanism underlying the formation of the chiral charge density wave in 1T-TiSe2. It is shown that the emergence of chirality is accompanied by the simultaneous formation of orbital order [3] We show that this type of combined orbital and charge order may in fact be expected to be a generic property of a broad class of charge ordered materials and discuss the prerequisites for finding chiral charge order in other materials. [4pt] [1] J. Ishioka, Y. H. Liu, K. Shimatake, T. Kurosawa, K. Ichimura, Y. Toda, M. Oda and S. Tanda, Phys. Rev. Lett. 105, 176401 (2010). [2] J. van Wezel and P. B. Littlewood, Physics 3, 87 (2010). [3] J. van Wezel, arXiv:1106.1930v1 (2011).

Theoretical prediction of the impact of Auger recombination on charge collection from an ion track

NASA Technical Reports Server (NTRS)

Edmonds, Larry D.

1991-01-01

A recombination mechanism that significantly reduces charge collection from very dense ion tracks in silicon devices was postulated by Zoutendyk et al. The theoretical analysis presented here concludes that Auger recombination is such a mechanism and is of marginal importance for higher density tracks produced by 270-MeV krypton, but of major importance for higher density tracks. The analysis shows that recombination loss is profoundly affected by track diffusion. As the track diffuses, the density and recombination rate decrease so fast that the linear density (number of electron-hole pairs per unit length) approaches a non-zero limiting value as t yields infinity. Furthermore, the linear density is very nearly equal to this limiting value in a few picoseconds or less. When Auger recombination accompanies charge transport processes that have much longer time scales, it can be simulated by assigning a reduced linear energy transfer to the ion.

Charge effects on the hindered transport of macromolecules across the endothelial surface glycocalyx layer.

PubMed

Sugihara-Seki, Masako; Akinaga, Takeshi; O-Tani, Hideyuki

2012-01-01

A fluid mechanical and electrostatic model for the transport of solute molecules across the vascular endothelial surface glycocalyx layer (EGL) was developed to study the charge effect on the diffusive and convective transport of the solutes. The solute was assumed to be a spherical particle with a constant surface charge density, and the EGL was represented as an array of periodically arranged circular cylinders of like charge, with a constant surface charge density. By combining the fluid mechanical analyses for the flow around a solute suspended in an electrolyte solution and the electrostatic analyses for the free energy of the interaction between the solute and cylinders based on a mean field theory, we estimated the transport coefficients of the solute across the EGL. Both of diffusive and convective transports are reduced compared to those for an uncharged system, due to the stronger exclusion of the solute that results from the repulsive electrostatic interaction. The model prediction for the reflection coefficient for serum albumin agreed well with experimental observations if the charge density in the EGL is ranged from approximately -10 to -30 mEq/l.

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

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

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for coarse grained models of electrolyte solution. Here, we provide rigorous definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation (DFT-MD) and isolate the effects of charge and cavitation,more » comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry (CHA) for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the U.S. Department of Energy.« less

Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

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

Crawford, Alasdair; Thomsen, Edwin; Reed, David

2016-04-20

A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system ismore » estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh -1 for the storage system is identified.« less

Symmetry properties of the configuration interaction space in relation to one- and two-particle operators: The splitting theorem

NASA Astrophysics Data System (ADS)

Živković, Tomislav P.

1984-09-01

The configuration interaction (CI) space Xn built upon n electrons moving over 2n orthonormalized orbitals χi is considered. It is shown that the space Xn splits into two complementary subspaces X+n and X-n having special properties: each state Ψ+∈X+n and Ψ-∈X-n is ``alternantlike'' in the sense that it has a uniform charge density distribution over all orbitals χi and vanishing bond-orders between all orbitals of the same parity. In addition, matrix elements Γ(ij;kl) of a two-particle density matrix vanish whenever four distinct orbitals are involved and there is an odd number of orbitals of the same parity. Further, Γ(ij;lj)=γ(il)/4 ( j≠i,l), whenever (i) and (l) are of different parity. This last relation shows the connection between a two-particle (Γ) and a one-particle (γ) density matrix. ``Elementary'' alternant and antialternant operators are identified. These operators connect either only the states in the same subspace, or only the states in different subspaces, and each one- and two-particle symmetric operator can be represented by their linear combination. Alternant Hamiltonians, which can be represented as linear combinations of elementary alternant operators, have alternantlike eigenstates. It is also shown that each symmetric Hamiltonian possessing alternantlike eigenstates can be represented as such a linear combination. In particular, the PPP Hamiltonian describing an alternant hydrocarbon system is such a case. Complementary subspaces X+n and X-n can be explicitly constructed using the so-called regular resonance structures (RRS's) which are normalized determinants containing mutually disjunct bond orbitals. Expressions for the derivation of matrix elements of one- and two-particle operators between different RRS's are also derived.

Exactly solvable model of the two-dimensional electrical double layer.

PubMed

Samaj, L; Bajnok, Z

2005-12-01

We consider equilibrium statistical mechanics of a simplified model for the ideal conductor electrode in an interface contact with a classical semi-infinite electrolyte, modeled by the two-dimensional Coulomb gas of pointlike unit charges in the stability-against-collapse regime of reduced inverse temperatures 0< or = beta < 2. If there is a potential difference between the bulk interior of the electrolyte and the grounded electrode, the electrolyte region close to the electrode (known as the electrical double layer) carries some nonzero surface charge density. The model is mappable onto an integrable semi-infinite sine-Gordon theory with Dirichlet boundary conditions. The exact form-factor and boundary state information gained from the mapping provide asymptotic forms of the charge and number density profiles of electrolyte particles at large distances from the interface. The result for the asymptotic behavior of the induced electric potential, related to the charge density via the Poisson equation, confirms the validity of the concept of renormalized charge and the corresponding saturation hypothesis. It is documented on the nonperturbative result for the asymptotic density profile at a strictly nonzero beta that the Debye-Hückel beta-->0 limit is a delicate issue.

Determination of Transverse Charge Density from Kaon Form Factor Data

NASA Astrophysics Data System (ADS)

Mejia-Ott, Johann; Horn, Tanja; Pegg, Ian; Mecholski, Nicholas; Carmignotto, Marco; Ali, Salina

2016-09-01

At the level of nucleons making up atomic nuclei, among subatomic particles made up of quarks, K-mesons or kaons represent the most simple hadronic system including the heavier strange quark, having a relatively elementary bound state of a quark and an anti-quark as its valence structure. Its electromagnetic structure is then parametrized by a single, dimensionless quantity known as the form factor, the two-dimensional Fourier transform of which yields the quantity of transverse charge density. Transverse charge density, in turn, provides a needed framework for the interpretation of form factors in terms of physical charge and magnetization, both with respect to the propagation of a fast-moving nucleon. To this is added the value of strange quarks in ultimately presenting a universal, process-independent description of nucleons, further augmenting the importance of studying the kaon's internal structure. The pressing character of such research questions directs the present paper, describing the first extraction of transverse charge density from electromagnetic kaon form factor data. The extraction is notably extended to form factor data at recently acquired higher energy levels, whose evaluation could permit more complete phenomenological models for kaon behavior to be proposed. This work was supported in part by NSF Grant PHY-1306227.

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

Analysis of polarization in hydrogen bonded complexes: An asymptotic projection approach

NASA Astrophysics Data System (ADS)

Drici, Nedjoua

2018-03-01

The asymptotic projection technique is used to investigate the polarization effect that arises from the interaction between the relaxed, and frozen monomeric charge densities of a set of neutral and charged hydrogen bonded complexes. The AP technique based on the resolution of the original Kohn-Sham equations can give an acceptable qualitative description of the polarization effect in neutral complexes. The significant overlap of the electron densities, in charged and π-conjugated complexes, impose further development of a new functional, describing the coupling between constrained and non-constrained electron densities within the AP technique to provide an accurate representation of the polarization effect.

Superconducting and charge density wave transition in single crystalline LaPt2Si2

NASA Astrophysics Data System (ADS)

Gupta, Ritu; Dhar, S. K.; Thamizhavel, A.; Rajeev, K. P.; Hossain, Z.

2017-06-01

We present results of our comprehensive studies on single crystalline LaPt2Si2. Pronounced anomaly in electrical resistivity and heat capacity confirms the bulk nature of superconductivity (SC) and charge density wave (CDW) transition in the single crystals. While the charge density wave transition temperature is lower, the superconducting transition temperature is higher in single crystal compared to the polycrystalline sample. This result confirms the competing nature of CDW and SC. Another important finding is the anomalous temperature dependence of upper critical field H C2(T). We also report the anisotropy in the transport and magnetic measurements of the single crystal.

Charged-Particle Multiplicity near Midrapidity in Central Au+Au Collisions at sNN = 56 and 130 GeV

NASA Astrophysics Data System (ADS)

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

2000-10-01

We present the first measurement of pseudorapidity densities of primary charged particles near midrapidity in Au+Au collisions at sNN = 56 and 130 GeV. For the most central collisions, we find the charged-particle pseudorapidity density to be dN/dη\\|\\|η\\|<1 = 408+/-12\\(stat\\)+/-30\\(syst\\) at 56 GeV and 555+/-12\\(stat\\)+/-35\\(syst\\) at 130 GeV, values that are higher than any previously observed in nuclear collisions. Compared to proton-antiproton collisions, our data show an increase in the pseudorapidity density per participant by more than 40% at the higher energy.

Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells

NASA Astrophysics Data System (ADS)

Aeberhard, Urs; Rau, Uwe

2017-06-01

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based on detailed balance relations between local absorption and emission rates in optically isotropic media with nondegenerate quasiequilibrium carrier distributions. In many cases, the dependence of density and spatial variation of electronic and optical device states on the point of operation is modest and the reciprocity relation holds. In nanostructure-based photovoltaic devices exploiting confined modes, however, the underlying assumptions are no longer justifiable. In the case of ultrathin absorber solar cells, the modification of the electronic structure with applied bias is significant due to the large variation of the built-in field. Straightforward use of the external quantum efficiency as measured at short circuit conditions in the photovoltaic reciprocity theory thus fails to reproduce the electroluminescence spectrum at large forward bias voltage. This failure is demonstrated here by numerical simulation of both spectral quantities at normal incidence and emission for an ultrathin GaAs p -i -n solar cell using an advanced quantum kinetic formalism based on nonequilibrium Green's functions of coupled photons and charge carriers. While coinciding with the semiclassical relations under the conditions of their validity, the theory provides a consistent microscopic relationship between absorption, emission, and charge carrier transport in photovoltaic devices at arbitrary operating conditions and for any shape of optical and electronic density of states.

Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells.

PubMed

Aeberhard, Urs; Rau, Uwe

2017-06-16

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based on detailed balance relations between local absorption and emission rates in optically isotropic media with nondegenerate quasiequilibrium carrier distributions. In many cases, the dependence of density and spatial variation of electronic and optical device states on the point of operation is modest and the reciprocity relation holds. In nanostructure-based photovoltaic devices exploiting confined modes, however, the underlying assumptions are no longer justifiable. In the case of ultrathin absorber solar cells, the modification of the electronic structure with applied bias is significant due to the large variation of the built-in field. Straightforward use of the external quantum efficiency as measured at short circuit conditions in the photovoltaic reciprocity theory thus fails to reproduce the electroluminescence spectrum at large forward bias voltage. This failure is demonstrated here by numerical simulation of both spectral quantities at normal incidence and emission for an ultrathin GaAs p-i-n solar cell using an advanced quantum kinetic formalism based on nonequilibrium Green's functions of coupled photons and charge carriers. While coinciding with the semiclassical relations under the conditions of their validity, the theory provides a consistent microscopic relationship between absorption, emission, and charge carrier transport in photovoltaic devices at arbitrary operating conditions and for any shape of optical and electronic density of states.

The design of an electron gun switchable between immersed and Brillouin flowa)

NASA Astrophysics Data System (ADS)

Becker, R.; Kester, O.

2012-02-01

An electron gun, which can be switched from immersed flow to Brillouin flow during operation, may have advantages for charge breeders as well as for electron beam ion sources and traps (EBISTs). For EBISTs this allows to change the current density according to the repetition frequency and charge state, for charge breeders and EBISTs a lower current density in immersed flow provides higher acceptance for injected ions, while the higher current density in Brillouin flow results in shorter breeding times and a lower emittance for the extracted beam. Therefore, we have designed such a gun for an EBIS with 5 T central magnetic field and without the use of iron and moving the gun. The gun was placed in the axial fringing field of the 5 T solenoid in such a position that a gate valve can be placed between the gun and the cryostat to allow for simple maintenance. The field at the cathode surface turned out to be only 0.05 T, which is not enough to focus 50 A/cm2 at a few kV. However, if a small normal conducting solenoid is placed over the vacuum tube in position of the gun, a field of 0.1 T may be obtained. With this the use of LaB6 as cathode material results in a magnetic compression of 44 and therewith in a focused current density in the trap region of more than 2000 A/cm2. By reversing the current in the gun solenoid the cathode field can easily compensated to zero. By proper design of the electrodes and the compression region, the gun will be able to deliver a beam in Brillouin flow. While this is interesting by itself - remember the "super-compression" reported on CRYEBIS-I - any magnetic field between zero and the value for immersed flow will result in an electron beam with a wide range of adjustable high current densities. The design tools used have been INTMAG(C) for the calculation of magnetic fields, EGN2(C) for the simulation of the gun and ANALYSE(C) for detailed analysis of the results (for more information see www.egun-igun.com).

The design of an electron gun switchable between immersed and Brillouin flow.

PubMed

Becker, R; Kester, O

2012-02-01

An electron gun, which can be switched from immersed flow to Brillouin flow during operation, may have advantages for charge breeders as well as for electron beam ion sources and traps (EBISTs). For EBISTs this allows to change the current density according to the repetition frequency and charge state, for charge breeders and EBISTs a lower current density in immersed flow provides higher acceptance for injected ions, while the higher current density in Brillouin flow results in shorter breeding times and a lower emittance for the extracted beam. Therefore, we have designed such a gun for an EBIS with 5 T central magnetic field and without the use of iron and moving the gun. The gun was placed in the axial fringing field of the 5 T solenoid in such a position that a gate valve can be placed between the gun and the cryostat to allow for simple maintenance. The field at the cathode surface turned out to be only 0.05 T, which is not enough to focus 50 A∕cm(2) at a few kV. However, if a small normal conducting solenoid is placed over the vacuum tube in position of the gun, a field of 0.1 T may be obtained. With this the use of LaB(6) as cathode material results in a magnetic compression of 44 and therewith in a focused current density in the trap region of more than 2000 A∕cm(2). By reversing the current in the gun solenoid the cathode field can easily compensated to zero. By proper design of the electrodes and the compression region, the gun will be able to deliver a beam in Brillouin flow. While this is interesting by itself--remember the "super-compression" reported on CRYEBIS-I--any magnetic field between zero and the value for immersed flow will result in an electron beam with a wide range of adjustable high current densities. The design tools used have been INTMAG(C) for the calculation of magnetic fields, EGN2(C) for the simulation of the gun and ANALYSE(C) for detailed analysis of the results (for more information see www.egun-igun.com).

Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

NASA Astrophysics Data System (ADS)

Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

2016-01-01

Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

Visualization of electronic density

DOE PAGES

Grosso, Bastien; Cooper, Valentino R.; Pine, Polina; ...

2015-04-22

An atom’s volume depends on its electronic density. Although this density can only be evaluated exactly for hydrogen-like atoms, there are many excellent numerical algorithms and packages to calculate it for other materials. 3D visualization of charge density is challenging, especially when several molecular/atomic levels are intertwined in space. We explore several approaches to 3D charge density visualization, including the extension of an anaglyphic stereo visualization application based on the AViz package to larger structures such as nanotubes. We will describe motivations and potential applications of these tools for answering interesting questions about nanotube properties.

Theoretical models for electron conduction in polymer systems—I. Macroscopic calculations of d.c. transient conductivity after pulse irradiation

NASA Astrophysics Data System (ADS)

Bartczak, Witold M.; Kroh, Jerzy

The simulation of the transient d.c. conductivity in a quasi one-dimensional system of charges produced by a pulse of ionizing radiation in a solid sample has been performed. The simulation is based on the macroscopic conductivity equations and can provide physical insight into d.c. conductivity measurements, particularly for the case of transient currents in samples with internal space charge. We consider the system of mobile (negative) and immobile (positive) charges produced by a pulse of ionizing radiation in the sample under a fixed external voltage V0. The presence of space charge results in an electric field which is a function of both the spatial and the time variable: E( z, t). Given the space charge density, the electric field can be calculated from the Poisson equation. However, for an arbitrary space charge distribution, the corresponding equations can only be solved numerically. The two non-trivial cases for which approximate analytical solutions can be provided are: (i) The density of the current carriers n( z, t) is negligible in comparison with the density of immobile space charge N( z). A general analytical solution has been found for this case using Green's functions. The solutions for two cases, viz. the homogeneous distribution of space charge N( z) = N, and the non-homogeneous exponential distribution N( z) = A exp(- Bz), have been separately discussed. (ii) The space charge created in the pulse without any space charge present prior to the irradiation.

Adhesion signals of phospholipid vesicles at an electrified interface.

PubMed

DeNardis, Nadica Ivošević; Žutić, Vera; Svetličić, Vesna; Frkanec, Ruža

2012-09-01

General adhesion behavior of phospholipid vesicles was examined in a wide range of potentials at the mercury electrode by recording time-resolved adhesion signals. It was demonstrated that adhesion-based detection is sensitive to polar headgroups in phospholipid vesicles. We identified a narrow potential window around the point of zero charge of the electrode where the interaction of polar headgroups of phosphatidylcholine vesicles with the substrate is manifested in the form of bidirectional signals. The bidirectional signal is composed of the charge flow due to the nonspecific interaction of vesicle adhesion and spreading and of the charge flow due to a specific interaction of the negatively charged electrode and the most exposed positively charged choline headgroups. These signals are expected to appear only when the electrode surface charge density is less than the surface charge density of the choline groups at the contact interface. In comparison, for the negatively charged phosphatidylserine vesicles, we identified the potential window at the mercury electrode where charge compensation takes place, and bidirectional signals were not detected.

Elimination of Spurious Fractional Charges in Dissociating Molecules by Correcting the Shape of Approximate Kohn-Sham Potentials.

PubMed

Komsa, Darya N; Staroverov, Viktor N

2016-11-08

Standard density-functional approximations often incorrectly predict that heteronuclear diatomic molecules dissociate into fractionally charged atoms. We demonstrate that these spurious charges can be eliminated by adapting the shape-correction method for Kohn-Sham potentials that was originally introduced to improve Rydberg excitation energies [ Phys. Rev. Lett. 2012 , 108 , 253005 ]. Specifically, we show that if a suitably determined fraction of electron charge is added to or removed from a frontier Kohn-Sham orbital level, the approximate Kohn-Sham potential of a stretched molecule self-corrects by developing a semblance of step structure; if this potential is used to obtain the electron density of the neutral molecule, charge delocalization is blocked and spurious fractional charges disappear beyond a certain internuclear distance.

Adhesion of osteoblasts to a nanorough titanium implant surface

PubMed Central

Gongadze, Ekaterina; Kabaso, Doron; Bauer, Sebastian; Slivnik, Tomaž; Schmuki, Patrik; van Rienen, Ursula; Iglič, Aleš

2011-01-01

This work considers the adhesion of cells to a nanorough titanium implant surface with sharp edges. The basic assumption was that the attraction between the negatively charged titanium surface and a negatively charged osteoblast is mediated by charged proteins with a distinctive quadrupolar internal charge distribution. Similarly, cation-mediated attraction between fibronectin molecules and the titanium surface is expected to be more efficient for a high surface charge density, resulting in facilitated integrin mediated osteoblast adhesion. We suggest that osteoblasts are most strongly bound along the sharp convex edges or spikes of nanorough titanium surfaces where the magnitude of the negative surface charge density is the highest. It is therefore plausible that nanorough regions of titanium surfaces with sharp edges and spikes promote the adhesion of osteoblasts. PMID:21931478

High-throughput NGL electron-beam direct-write lithography system

NASA Astrophysics Data System (ADS)

Parker, N. William; Brodie, Alan D.; McCoy, John H.

2000-07-01

Electron beam lithography systems have historically had low throughput. The only practical solution to this limitation is an approach using many beams writing simultaneously. For single-column multi-beam systems, including projection optics (SCALPELR and PREVAIL) and blanked aperture arrays, throughput and resolution are limited by space-charge effects. Multibeam micro-column (one beam per column) systems are limited by the need for low voltage operation, electrical connection density and fabrication complexities. In this paper, we discuss a new multi-beam concept employing multiple columns each with multiple beams to generate a very large total number of parallel writing beams. This overcomes the limitations of space-charge interactions and low voltage operation. We also discuss a rationale leading to the optimum number of columns and beams per column. Using this approach we show how production throughputs >= 60 wafers per hour can be achieved at CDs

Universal quinone electrodes for long cycle life aqueous rechargeable batteries

NASA Astrophysics Data System (ADS)

Liang, Yanliang; Jing, Yan; Gheytani, Saman; Lee, Kuan-Yi; Liu, Ping; Facchetti, Antonio; Yao, Yan

2017-08-01

Aqueous rechargeable batteries provide the safety, robustness, affordability, and environmental friendliness necessary for grid storage and electric vehicle operations, but their adoption is plagued by poor cycle life due to the structural and chemical instability of the anode materials. Here we report quinones as stable anode materials by exploiting their structurally stable ion-coordination charge storage mechanism and chemical inertness towards aqueous electrolytes. Upon rational selection/design of quinone structures, we demonstrate three systems that coupled with industrially established cathodes and electrolytes exhibit long cycle life (up to 3,000 cycles/3,500 h), fast kinetics (>=20C), high anode specific capacity (up to 200-395 mAh g-1), and several examples of state-of-the-art specific energy/energy density (up to 76-92 Wh kg-1/ 161-208 Wh l-1) for several operational pH values (-1 to 15), charge carrier species (H+, Li+, Na+, K+, Mg2+), temperature (-35 to 25 °C), and atmosphere (with/without O2), making them a universal anode approach for any aqueous battery technology.

Understanding Non-Equilibrium Charge Transport and Rectification at Chromophore/Metal Interfaces

NASA Astrophysics Data System (ADS)

Darancet, Pierre

Understanding non-equilibrium charge and energy transport across nanoscale interfaces is central to developing an intuitive picture of fundamental processes in solar energy conversion applications. In this talk, I will discuss our theoretical studies of finite-bias transport at organic/metal interfaces. First, I will show how the finite-bias electronic structure of such systems can be quantitatively described using density functional theory in conjunction with simple models of non-local correlations and bias-induced Stark effects.. Using these methods, I will discuss the conditions of emergence of highly non-linear current-voltage characteristics in bilayers made of prototypical organic materials, and their implications in the context of hole- and electron-blocking layers in organic photovoltaic. In particular, I will show how the use of strongly-hybridized, fullerene-coated metallic surfaces as electrodes is a viable route to maximizing the diodic behavior and electrical functionality of molecular components. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357.

The injection of microorganisms into an atmospheric pressure rf-driven microplasma

NASA Astrophysics Data System (ADS)

Maguire, P. D.; Mahony, C. M. O.; Diver, D.; Mariotti, D.; Bennet, E.; Potts, H.; McDowell, D. A.

2013-09-01

The introduction of living organisms, such as bacteria, into atmospheric pressure microplasmas offers a unique means to study certain physical mechanisms in individual microorganisms and also help understand the impact of macroscopic entities and liquid droplets on plasma characteristics. We present the characterization of an RF-APD operating at 13.56 MHz and containing microorganisms in liquid droplets emitted from a nebulizer, with the spray entrained in a gas flow by a gas shroud and passed into the plasma source. We report successful microorganism injection and transmission through the plasma with stable plasma operation of at least one hour. Diagnostics include RF electrical characterization, optical emission spectrometry and electrostatic deflection to investigate microorganism charging. A close-coupled Impedans Octiv VI probe indicates source efficiencies of 10 to 15%. The introduction of the droplets/microorganisms results in increased plasma conductivity and reduced capacitance, due to their impact on electron density and temperature. An electrical model will be presented based on diagnostic data and deflection studies with input from simulations of charged aerosol diffusion and evaporation. Engineering and Physical Sciences Research Council EP/K006088, EP/K006142.

Electric field mill network products to improve detection of the lightning hazard

NASA Technical Reports Server (NTRS)

Maier, Launa M.

1987-01-01

An electric field mill network has been used at Kennedy Space Center for over 10 years as part of the thunderstorm detection system. Several algorithms are currently available to improve the informational output of the electric field mill data. The charge distributions of roughly 50 percent of all lightning can be modeled as if they reduced the charged cloud by a point charge or a point dipole. Using these models, the spatial differences in the lightning induced electric field changes, and a least squares algorithm to obtain an optimum solution, the three-dimensional locations of the lightning charge centers can be located. During the lifetime of a thunderstorm, dynamically induced charging, modeled as a current source, can be located spatially with measurements of Maxwell current density. The electric field mills can be used to calculate the Maxwell current density at times when it is equal to the displacement current density. These improvements will produce more accurate assessments of the potential electrical activity, identify active cells, and forecast thunderstorm termination.

Quantitative nanoscale electrostatics of viruses.

PubMed

Hernando-Pérez, M; Cartagena-Rivera, A X; Lošdorfer Božič, A; Carrillo, P J P; San Martín, C; Mateu, M G; Raman, A; Podgornik, R; de Pablo, P J

2015-11-07

Electrostatics is one of the fundamental driving forces of the interaction between biomolecules in solution. In particular, the recognition events between viruses and host cells are dominated by both specific and non-specific interactions and the electric charge of viral particles determines the electrostatic force component of the latter. Here we probe the charge of individual viruses in liquid milieu by measuring the electrostatic force between a viral particle and the Atomic Force Microscope tip. The force spectroscopy data of co-adsorbed ϕ29 bacteriophage proheads and mature virions, adenovirus and minute virus of mice capsids is utilized for obtaining the corresponding density of charge for each virus. The systematic differences of the density of charge between the viral particles are consistent with the theoretical predictions obtained from X-ray structural data. Our results show that the density of charge is a distinguishing characteristic of each virus, depending crucially on the nature of the viral capsid and the presence/absence of the genetic material.

Topology of charge density of flucytosine and related molecules and characteristics of their bond charge distributions.

PubMed

Murgich, Juan; Franco, Héctor J; San-Blas, Gioconda

2006-08-24

The molecular charge distribution of flucytosine (4-amino-5-fluoro-2-pyrimidone), uracil, 5-fluorouracil, and thymine was studied by means of density functional theory calculations (DFT). The resulting distributions were analyzed by means of the atoms in molecules (AIM) theory. Bonds were characterized through vectors formed with the charge density value, its Laplacian, and the bond ellipticity calculated at the bond critical point (BCP). Within each set of C=O, C-H, and N-H bonds, these vectors showed little dispersion. C-C bonds formed three different subsets, one with a significant degree of double bonding, a second corresponding to single bonds with a finite ellipticity produced by hyperconjugation, and a third one formed by a pure single bond. In N-C bonds, a decrease in bond length (an increase in double bond character) was not reflected as an increase in their ellipticity, as in all C-C bonds studied. It was also found that substitution influenced the N-C, C-O, and C-C bond ellipticity much more than density and its Laplacian at the BCP. The Laplacian of charge density pointed to the existence of both bonding and nonbonding maxima in the valence shell charge concentration of N, O, and F, while only bonding ones were found for the C atoms. The nonbonding maxima related to the sites for electrophilic attack and H bonding in O and N, while sites of nucleophilic attack were suggested by the holes in the valence shell of the C atoms of the carbonyl groups.

Effects of Different Manufacturing Processes on TEMPO-Oxidized Carboxylated Cellulose Nanofiber Performance as Binder for Flexible Lithium-Ion Batteries.

PubMed

Lu, Huiran; Guccini, Valentina; Kim, Hyeyun; Salazar-Alvarez, German; Lindbergh, Göran; Cornell, Ann

2017-11-01

Carboxylated cellulose nanofibers (CNF) prepared using the TEMPO-route are good binders of electrode components in flexible lithium-ion batteries (LIB). However, the different parameters employed for the defibrillation of CNF such as charge density and degree of homogenization affect its properties when used as binder. This work presents a systematic study of CNF prepared with different surface charge densities and varying degrees of homogenization and their performance as binder for flexible LiFePO 4 electrodes. The results show that the CNF with high charge density had shorter fiber lengths compared with those of CNF with low charge density, as observed with atomic force microscopy. Also, CNF processed with a large number of passes in the homogenizer showed a better fiber dispersibility, as observed from rheological measurements. The electrodes fabricated with highly charged CNF exhibited the best mechanical and electrochemical properties. The CNF at the highest charge density (1550 μmol g -1 ) and lowest degree of homogenization (3 + 3 passes in the homogenizer) achieved the overall best performance, including a high Young's modulus of approximately 311 MPa and a good rate capability with a stable specific capacity of 116 mAh g -1 even up to 1 C. This work allows a better understanding of the influence of the processing parameters of CNF on their performance as binder for flexible electrodes. The results also contribute to the understanding of the optimal processing parameters of CNF to fabricate other materials, e.g., membranes or separators.

Interface effects on calculated defect levels for oxide defects

NASA Astrophysics Data System (ADS)

Edwards, Arthur; Barnaby, Hugh; Schultz, Peter; Pineda, Andrew

2014-03-01

Density functional theory (DFT) has had impressive recent success predicting defect levels in insulators and semiconductors [Schultz and von Lillienfeld, 2009]. Such success requires care in accounting for long-range electrostatic effects. Recently, Komsa and Pasquarello have started to address this problem in systems with interfaces. We report a multiscale technique for calculating electrostatic energies for charged defects in oxide of the metal-oxide-silicon (MOS) system, but where account is taken of substrate doping density, oxide thickness, and gate bias. We use device modeling to calculate electric fields for a point charge a fixed distance from the interface, and used the field to numerically calculate the long-range electrostatic interactions. We find, for example, that defect levels in the oxide do depend on both the magnitude and the polarity the substrate doping density. Furthermore, below 20 Å, oxide thickness also has significant effects. So, transferring results directly from bulk calculations leads to inaccuracies up to 0.5 eV- half of the silicon band gap. We will present trends in defect levels as a function of device parameters. We show that these results explain previous experimental results, and we comment on their potential impact on models for NBTI. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under co.

Modeling the Electric Potential and Surface Charge Density near Charged Thunderclouds

ERIC Educational Resources Information Center

Neel, Matthew Stephen

2018-01-01

Thundercloud charge separation, or the process by which the bottom portion of a cloud gathers charge and the top portion of the cloud gathers the opposite charge, is still not thoroughly understood. Whatever the mechanism, though, a charge separation definitely exists and can lead to electrostatic discharge via cloud-to-cloud lightning and…

High-performance flexible energy storage and harvesting system for wearable electronics

NASA Astrophysics Data System (ADS)

Ostfeld, Aminy E.; Gaikwad, Abhinav M.; Khan, Yasser; Arias, Ana C.

2016-05-01

This paper reports on the design and operation of a flexible power source integrating a lithium ion battery and amorphous silicon solar module, optimized to supply power to a wearable health monitoring device. The battery consists of printed anode and cathode layers based on graphite and lithium cobalt oxide, respectively, on thin flexible current collectors. It displays energy density of 6.98 mWh/cm2 and demonstrates capacity retention of 90% at 3C discharge rate and ~99% under 100 charge/discharge cycles and 600 cycles of mechanical flexing. A solar module with appropriate voltage and dimensions is used to charge the battery under both full sun and indoor illumination conditions, and the addition of the solar module is shown to extend the battery lifetime between charging cycles while powering a load. Furthermore, we show that by selecting the appropriate load duty cycle, the average load current can be matched to the solar module current and the battery can be maintained at a constant state of charge. Finally, the battery is used to power a pulse oximeter, demonstrating its effectiveness as a power source for wearable medical devices.

Design and operation of the pellet charge exchange diagnostic for measurement of energetic confined alphas and tritons on TFTR

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

Medley, S.S.; Duong, H.H.; Fisher, R.K.

1996-05-01

Radially-resolved energy and density distributions of the energetic confined alpha particles in D-T experiments on TFTR are being measured by active neutral particle analysis using low-Z impurity pellet injection. When injected into a high temperature plasma, an impurity pellet (e.g. Lithium or Boron) rapidly ablates forming an elongated cloud which is aligned with the magnetic field and moves with the pellet. This ablation cloud provides a dense target with which the alpha particles produced in D-T fusion reactions can charge exchange. A small fraction of the alpha particles incident on the pellet ablation cloud will be converted to helium neutralsmore » whose energy is essentially unchanged by the charge transfer process. By measuring the resultant helium neutrals escaping from the plasma using a mass and energy resolving charge exchange analyzer, this technique offers a direct measurement of the energy distribution of the incident high-energy alpha particles. Other energetic ion species can be detected as well, such as tritons generated in D-D plasmas and H or He{sup 3} RF-driven minority ion tails. The diagnostic technique and its application on TFTR are described in detail.« less

High-performance flexible energy storage and harvesting system for wearable electronics.

PubMed

Ostfeld, Aminy E; Gaikwad, Abhinav M; Khan, Yasser; Arias, Ana C

2016-05-17

This paper reports on the design and operation of a flexible power source integrating a lithium ion battery and amorphous silicon solar module, optimized to supply power to a wearable health monitoring device. The battery consists of printed anode and cathode layers based on graphite and lithium cobalt oxide, respectively, on thin flexible current collectors. It displays energy density of 6.98 mWh/cm(2) and demonstrates capacity retention of 90% at 3C discharge rate and ~99% under 100 charge/discharge cycles and 600 cycles of mechanical flexing. A solar module with appropriate voltage and dimensions is used to charge the battery under both full sun and indoor illumination conditions, and the addition of the solar module is shown to extend the battery lifetime between charging cycles while powering a load. Furthermore, we show that by selecting the appropriate load duty cycle, the average load current can be matched to the solar module current and the battery can be maintained at a constant state of charge. Finally, the battery is used to power a pulse oximeter, demonstrating its effectiveness as a power source for wearable medical devices.

High-performance flexible energy storage and harvesting system for wearable electronics

PubMed Central

Ostfeld, Aminy E.; Gaikwad, Abhinav M.; Khan, Yasser; Arias, Ana C.

2016-01-01

This paper reports on the design and operation of a flexible power source integrating a lithium ion battery and amorphous silicon solar module, optimized to supply power to a wearable health monitoring device. The battery consists of printed anode and cathode layers based on graphite and lithium cobalt oxide, respectively, on thin flexible current collectors. It displays energy density of 6.98 mWh/cm2 and demonstrates capacity retention of 90% at 3C discharge rate and ~99% under 100 charge/discharge cycles and 600 cycles of mechanical flexing. A solar module with appropriate voltage and dimensions is used to charge the battery under both full sun and indoor illumination conditions, and the addition of the solar module is shown to extend the battery lifetime between charging cycles while powering a load. Furthermore, we show that by selecting the appropriate load duty cycle, the average load current can be matched to the solar module current and the battery can be maintained at a constant state of charge. Finally, the battery is used to power a pulse oximeter, demonstrating its effectiveness as a power source for wearable medical devices. PMID:27184194

The Pulse Response of Electrets to Energetic Ions

DTIC Science & Technology

1988-09-01

reduction in the low temperature peak for the aged sample. This change is accompanied by a significant increase in the high temperature peak. Ion...density in electron-beam charged FEP does not change under normal conditions while the hole density falls rapidly with aging . Because hole traps are...power, S, and the aver- age energy required to produce a charge carrier pair, W, are constant. By Equation 4-1, the charge, Q, produced by an emission

Excitation of Kelvin Helmholtz instability by an ion beam in a plasma with negatively charged dust grains

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

Rani, Kavita; Sharma, Suresh C.

2015-02-15

An ion beam propagating through a magnetized dusty plasma drives Kelvin Helmholtz Instability (KHI) via Cerenkov interaction. The frequency of the unstable wave increases with the relative density of negatively charged dust grains. It is observed that the beam has stabilizing effect on the growth rate of KHI for low shear parameter, but for high shear parameter, the instability is destabilized with relative density of negatively charged dust grains.

Longitudinal dynamics of an intense electron beam

NASA Astrophysics Data System (ADS)

Harris, John Richardson

2005-11-01

The dynamics of charged particle beams are governed by the particles' thermal velocities, external focusing forces, and Coulomb forces. Beams in which Coulomb forces play the dominant role are known as space charge dominated, or intense. Intense beams are of great interest for heavy ion fusion, spallation neutron sources, free-electron lasers, and other applications. In addition, all beams of interest are dominated by space charge forces when they are first created, so an understanding of space charge effects is critical to explain the later evolution of any beam. Historically, more attention has been paid to the transverse dynamics of beams. However, many interesting and important effects in beams occur along their length. These longitudinal effects can be limiting factors in many systems. For example, modulation or structure applied to the beam at low energy will evolve under space charge forces. Depending on the intended use of the beam and the nature of the modulation, this may result in improved or degraded performance. To study longitudinal dynamics in intense beams, experiments were conducted using the University of Maryland Electron Ring, a 10 keV, 100 mA electron transport system. These experiments concentrated on space charge driven changes in beam length in parabolic and rectangular beams, beam density and velocity modulation, and space charge wave propagation. Coupling between the transverse and longitudinal dynamics was also investigated. These experiments involved operating the UMER gun in space charge limited, temperature limited, triode amplification, photon limited, and hybrid modes. Results of these experiments are presented here, along with a theoretical framework for understanding the longitudinal dynamics of intense beams.

Explicit continuous charge-based compact model for long channel heavily doped surrounding-gate MOSFETs incorporating interface traps and quantum effects

NASA Astrophysics Data System (ADS)

Hamzah, Afiq; Hamid, Fatimah A.; Ismail, Razali

2016-12-01

An explicit solution for long-channel surrounding-gate (SRG) MOSFETs is presented from intrinsic to heavily doped body including the effects of interface traps and fixed oxide charges. The solution is based on the core SRGMOSFETs model of the Unified Charge Control Model (UCCM) for heavily doped conditions. The UCCM model of highly doped SRGMOSFETs is derived to obtain the exact equivalent expression as in the undoped case. Taking advantage of the undoped explicit charge-based expression, the asymptotic limits for below threshold and above threshold have been redefined to include the effect of trap states for heavily doped cases. After solving the asymptotic limits, an explicit mobile charge expression is obtained which includes the trap state effects. The explicit mobile charge model shows very good agreement with respect to numerical simulation over practical terminal voltages, doping concentration, geometry effects, and trap state effects due to the fixed oxide charges and interface traps. Then, the drain current is obtained using the Pao-Sah's dual integral, which is expressed as a function of inversion charge densities at the source/drain ends. The drain current agreed well with the implicit solution and numerical simulation for all regions of operation without employing any empirical parameters. A comparison with previous explicit models has been conducted to verify the competency of the proposed model with the doping concentration of 1× {10}19 {{cm}}-3, as the proposed model has better advantages in terms of its simplicity and accuracy at a higher doping concentration.

Charging performance of automotive batteries-An underestimated factor influencing lifetime and reliable battery operation

NASA Astrophysics Data System (ADS)

Sauer, Dirk Uwe; Karden, Eckhard; Fricke, Birger; Blanke, Holger; Thele, Marc; Bohlen, Oliver; Schiffer, Julia; Gerschler, Jochen Bernhard; Kaiser, Rudi

Dynamic charge acceptance and charge acceptance under constant voltage charging conditions are for two reasons essential for lead-acid battery operation: energy efficiency in applications with limited charging time (e.g. PV systems or regenerative braking in vehicles) and avoidance of accelerated ageing due to sulphation. Laboratory tests often use charge regimes which are beneficial for the battery life, but which differ significantly from the operating conditions in the field. Lead-acid batteries in applications with limited charging time and partial-state-of-charge operation are rarely fully charged due to their limited charge acceptance. Therefore, they suffer from sulphation and early capacity loss. However, when appropriate charging strategies are applied most of the lost capacity and thus performance for the user may be recovered. The paper presents several aspects of charging regimes and charge acceptance. Theoretical and experimental investigations show that temperature is the most critical parameter. Full charging within short times can be achieved only at elevated temperatures. A strong dependency of the charge acceptance during charging pulses on the pre-treatment of the battery can be observed, which is not yet fully understood. But these effects have a significant impact on the fuel efficiency of micro-hybrid electric vehicles.

Influence of polymer charge on the shear yield stress of silica aggregated with adsorbed cationic polymers.

PubMed

Zhou, Ying; Yu, Hai; Wanless, Erica J; Jameson, Graeme J; Franks, George V

2009-08-15

Flocs were produced by adding three cationic polymers (10% charge density, 3.0x10(5) g/mol molecular weight; 40% charge density, 1.1x10(5) g/mol molecular weight; and 100% charge density, 1.2x10(5) g/mol molecular weight) to 90 nm diameter silica particles. The shear yield stresses of the consolidated sediment beds from settled and centrifuged flocs were determined via the vane technique. The polymer charge density plays an important role in influencing the shear yield stresses of sediment beds. The shear yield stresses of sediment beds from flocs induced by the 10% charged polymer were observed to increase with an increase in polymer dose, initial solid concentration and background electrolyte concentration at all volume fractions. In comparison, polymer dose has a marginal effect on the shear yield stresses of sediment beds from flocs induced by the 40% and 100% charged polymers. The shear yield stresses of sediments from flocs induced by the 40% charged polymer are independent of salt concentration whereas the addition of salt decreases the shear yield stresses of sediments from flocs induced by the 100% charged polymer. When flocculated at the optimum dose for each polymer (12 mg/g silica for the 10% charged polymer at 0.03 M NaCl, 12 mg/g for 40% and 2 mg/g for 100%), shear yield stress increases as polymer charge increases. The effects observed are related to the flocculation mechanism (bridging, patch attraction or charge neutralisation) and the magnitude of the adhesive force. Comparison of shear and compressive yield stresses show that the network is only slightly weaker in shear than in compression. This is different than many other systems (mainly salt and pH coagulation) which have shear yield stress much less than compressive yield stress. The existing models relating the power law exponent of the volume fraction dependence of the shear yield stress to the network fractal structure are not satisfactory to predict all the experimental behaviour.

The lightest organic radical cation for charge storage in redox flow batteries

PubMed Central

Huang, Jinhua; Pan, Baofei; Duan, Wentao; Wei, Xiaoliang; Assary, Rajeev S.; Su, Liang; Brushett, Fikile R.; Cheng, Lei; Liao, Chen; Ferrandon, Magali S.; Wang, Wei; Zhang, Zhengcheng; Burrell, Anthony K.; Curtiss, Larry A.; Shkrob, Ilya A.; Moore, Jeffrey S.; Zhang, Lu

2016-01-01

In advanced electrical grids of the future, electrochemically rechargeable fluids of high energy density will capture the power generated from intermittent sources like solar and wind. To meet this outstanding technological demand there is a need to understand the fundamental limits and interplay of electrochemical potential, stability, and solubility in low-weight redox-active molecules. By generating a combinatorial set of 1,4-dimethoxybenzene derivatives with different arrangements of substituents, we discovered a minimalistic structure that combines exceptional long-term stability in its oxidized form and a record-breaking intrinsic capacity of 161 mAh/g. The nonaqueous redox flow battery has been demonstrated that uses this molecule as a catholyte material and operated stably for 100 charge/discharge cycles. The observed stability trends are rationalized by mechanistic considerations of the reaction pathways. PMID:27558638

The lightest organic radical cation for charge storage in redox flow batteries.

PubMed

Huang, Jinhua; Pan, Baofei; Duan, Wentao; Wei, Xiaoliang; Assary, Rajeev S; Su, Liang; Brushett, Fikile R; Cheng, Lei; Liao, Chen; Ferrandon, Magali S; Wang, Wei; Zhang, Zhengcheng; Burrell, Anthony K; Curtiss, Larry A; Shkrob, Ilya A; Moore, Jeffrey S; Zhang, Lu

2016-08-25

In advanced electrical grids of the future, electrochemically rechargeable fluids of high energy density will capture the power generated from intermittent sources like solar and wind. To meet this outstanding technological demand there is a need to understand the fundamental limits and interplay of electrochemical potential, stability, and solubility in low-weight redox-active molecules. By generating a combinatorial set of 1,4-dimethoxybenzene derivatives with different arrangements of substituents, we discovered a minimalistic structure that combines exceptional long-term stability in its oxidized form and a record-breaking intrinsic capacity of 161 mAh/g. The nonaqueous redox flow battery has been demonstrated that uses this molecule as a catholyte material and operated stably for 100 charge/discharge cycles. The observed stability trends are rationalized by mechanistic considerations of the reaction pathways.

Helical patterns of magnetization and magnetic charge density in iron whiskers

NASA Astrophysics Data System (ADS)

Templeton, Terry L.; Hanham, Scott D.; Arrott, Anthony S.

2018-05-01

Studies with the (1 1 1) axis along the long axis of an iron whisker, 40 years ago, showed two phenomena that have remained unexplained: 1) In low fields, there are six peaks in the ac susceptibility, separated by 0.2 mT; 2) Bitter patterns showed striped domain patterns. Multipole columns of magnetic charge density distort to form helical patterns of the magnetization, accounting for the peaks in the susceptibility from the propagation of edge solitons along the intersections of the six sides of a (1 1 1) whisker. The stripes follow the helices. We report micromagnetic simulations in cylinders with various geometries for the cross-sections from rectangular, to hexagonal, to circular, with wide ranges of sizes and lengths, and different anisotropies, including (0 0 1) whiskers and the hypothetical case of no anisotropy. The helical patterns have been there in previous studies, but overlooked. The surface swirls and body helices are connected, but have their own individual behaviors. The magnetization patterns are more easily understood when viewed observing the scalar divergences of the magnetization as isosurfaces of magnetic charge density. The plus and minus charge densities form columns that interact with unlike charges attracting, but not annihilating as they are paid for by a decrease in exchange energy. Just as they start to form the helix, the columns are multipoles. If one could stretch the columns, the self-energy of the charges in a column would be diminished while making the attractive interactions of the unlike charges larger. The columns elongate by becoming helical. The visualization of 3-D magnetic charge distributions aids in the understanding of magnetization in soft magnetic materials.

How the charge-neutrality level of interface states controls energy level alignment in cathode contacts of organic bulk-heterojunction solar cells.

PubMed

Guerrero, Antonio; Marchesi, Luís F; Boix, Pablo P; Ruiz-Raga, Sonia; Ripolles-Sanchis, Teresa; Garcia-Belmonte, Germà; Bisquert, Juan

2012-04-24

Electronic equilibration at the metal-organic interface, leading to equalization of the Fermi levels, is a key process in organic optoelectronic devices. How the energy levels are set across the interface determines carrier extraction at the contact and also limits the achievable open-circuit voltage under illumination. Here, we report an extensive investigation of the cathode energy equilibration of organic bulk-heterojunction solar cells. We show that the potential to balance the mismatch between the cathode metal and the organic layer Fermi levels is divided into two contributions: spatially extended band bending in the organic bulk and voltage drop at the interface dipole layer caused by a net charge transfer. We scan the operation of the cathode under a varied set of conditions, using metals of different work functions in the range of ∼2 eV, different fullerene acceptors, and several cathode interlayers. The measurements allow us to locate the charge-neutrality level within the interface density of sates and calculate the corresponding dipole layer strength. The dipole layer withstands a large part of the total Fermi level mismatch when the polymer:fullerene blend ratio approaches ∼1:1, producing the practical alignment between the metal Fermi level and the charge-neutrality level. Origin of the interface states is linked with fullerene reduced molecules covering the metal contact. The dipole contribution, and consequently the band bending, is highly sensitive to the nature and amount of fullerene molecules forming the interface density of states. Our analysis provides a detailed picture of the evolution of the potentials in the bulk and the interface of the solar cell when forward voltage is applied or when photogeneration takes place.

Entropic effects in the electric double layer of model colloids with size-asymmetric monovalent ions

NASA Astrophysics Data System (ADS)

Guerrero-García, Guillermo Iván; González-Tovar, Enrique; Olvera de la Cruz, Mónica

2011-08-01

The structure of the electric double layer of charged nanoparticles and colloids in monovalent salts is crucial to determine their thermodynamics, solubility, and polyion adsorption. In this work, we explore the double layer structure and the possibility of charge reversal in relation to the size of both counterions and coions. We examine systems with various size-ratios between counterions and coions (ion size asymmetries) as well as different total ion volume fractions. Using Monte Carlo simulations and integral equations of a primitive-model electric double layer, we determine the highest charge neutralization and electrostatic screening near the electrified surface. Specifically, for two binary monovalent electrolytes with the same counterion properties but differing only in the coion's size surrounding a charged nanoparticle, the one with largest coion size is found to have the largest charge neutralization and screening. That is, in size-asymmetric double layers with a given counterion's size the excluded volume of the coions dictates the adsorption of the ionic charge close to the colloidal surface for monovalent salts. Furthermore, we demonstrate that charge reversal can occur at low surface charge densities, given a large enough total ion concentration, for systems of monovalent salts in a wide range of ion size asymmetries. In addition, we find a non-monotonic behavior for the corresponding maximum charge reversal, as a function of the colloidal bare charge. We also find that the reversal effect disappears for binary salts with large-size counterions and small-size coions at high surface charge densities. Lastly, we observe a good agreement between results from both Monte Carlo simulations and the integral equation theory across different colloidal charge densities and 1:1-elec-trolytes with different ion sizes.

A Benchmark Experiment for Photoionized Plasma Emission from Accretion-Powered X-ray Sources

NASA Astrophysics Data System (ADS)

Loisel, G.; Bailey, J.; Nagayama, T.; Hansen, S.; Rochau, G.; Liedahl, D.; Fontes, C.; Kallman, T.; Mancini, R.

2017-10-01

Accretion-powered emission from X-ray binaries or black-hole accretion in Active Galactic Nuclei is a powerful diagnostic for their behavior and structure. Interpretation of x-ray emission from these objects requires a spectral synthesis model for photoionized plasma. Models must predict the photoionized charge state distribution, the photon emission processes, and the radiation transport influence on the observed emission. At the Z facility, we have measured simultaneously emission and absorption from a photoionized silicon plasma suitable to benchmark photoionization and spectrum formation models with +/-5% reproducibility and E/dE >2500 spectral resolution. Plasma density, temperature, and charge state distribution are determined with absorption spectroscopy. Self-emission measured at adjustable column densities tests radiation transport effects. Observation of 14 transitions in He-like silicon will help understand population mechanisms in a photoionized plasma. First observation of radiative recombination continuum in a photoionized plasma will be presented. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525.

Solid-state supercapacitors with rationally designed heterogeneous electrodes fabricated by large area spray processing for wearable energy storage applications

PubMed Central

Huang, Chun; Zhang, Jin; Young, Neil P.; Snaith, Henry J.; Grant, Patrick S.

2016-01-01

Supercapacitors are in demand for short-term electrical charge and discharge applications. Unlike conventional supercapacitors, solid-state versions have no liquid electrolyte and do not require robust, rigid packaging for containment. Consequently they can be thinner, lighter and more flexible. However, solid-state supercapacitors suffer from lower power density and where new materials have been developed to improve performance, there remains a gap between promising laboratory results that usually require nano-structured materials and fine-scale processing approaches, and current manufacturing technology that operates at large scale. We demonstrate a new, scalable capability to produce discrete, multi-layered electrodes with a different material and/or morphology in each layer, and where each layer plays a different, critical role in enhancing the dynamics of charge/discharge. This layered structure allows efficient utilisation of each material and enables conservative use of hard-to-obtain materials. The layered electrode shows amongst the highest combinations of energy and power densities for solid-state supercapacitors. Our functional design and spray manufacturing approach to heterogeneous electrodes provide a new way forward for improved energy storage devices. PMID:27161379

Ion dynamics in porous carbon electrodes in supercapacitors using in situ infrared spectroelectrochemistry.

PubMed

Richey, Francis W; Dyatkin, Boris; Gogotsi, Yury; Elabd, Yossef A

2013-08-28

Electrochemical double layer capacitors (EDLCs), or supercapacitors, rely on electrosorption of ions by porous carbon electrodes and offer a higher power and a longer cyclic lifetime compared to batteries. Ionic liquid (IL) electrolytes can broaden the operating voltage window and increase the energy density of EDLCs. Herein, we present direct measurements of the ion dynamics of 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide in an operating EDLC with electrodes composed of porous nanosized carbide-derived carbons (CDCs) and nonporous onion-like carbons (OLCs) with the use of in situ infrared spectroelectrochemistry. For CDC electrodes, IL ions (both cations and anions) were directly observed entering and exiting CDC nanopores during charging and discharging of the EDLC. Conversely, for OLC electrodes, IL ions were observed in close proximity to the OLC surface without any change in the bulk electrolyte concentration during charging and discharging of the EDLC. This provides experimental evidence that charge is stored on the surface of OLCs in OLC EDLCs without long-range ion transport through the bulk electrode. In addition, for CDC EDLCs with mixed electrolytes of IL and propylene carbonate (PC), the IL ions were observed entering and exiting CDC nanopores, while PC entrance into the nanopores was IL concentration dependent. This work provides direct experimental confirmation of EDLC charging mechanisms that previously were restricted to computational simulations and theories. The experimental measurements presented here also provide deep insights into the molecular level transport of IL ions in EDLC electrodes that will impact the design of the electrode materials' structure for electrical energy storage.

Phase stability in the two-dimensional anisotropic boson Hubbard Hamiltonian

DOE PAGES

Ying, T.; Batrouni, G. G.; Rousseau, V. G.; ...

2013-05-15

The two dimensional square lattice hard-core boson Hubbard model with near neighbor interactions has a ‘checkerboard’ charge density wave insulating phase at half-filling and sufficiently large intersite repulsion. When doped, rather than forming a supersolid phase in which long range charge density wave correlations coexist with a condensation of superfluid defects, the system instead phase separates. However, it is known that there are other lattice geometries and interaction patterns for which such coexistence takes place. In this paper we explore the possibility that anisotropic hopping or anisotropic near neighbor repulsion might similarly stabilize the square lattice supersolid. Lastly, by consideringmore » the charge density wave structure factor and superfluid density for different ratios of interaction strength and hybridization in the ˆx and ˆy directions, we conclude that phase separation still occurs.« less

Quantum time crystal by decoherence: Proposal with an incommensurate charge density wave ring

NASA Astrophysics Data System (ADS)

Nakatsugawa, K.; Fujii, T.; Tanda, S.

2017-09-01

We show that time translation symmetry of a ring system with a macroscopic quantum ground state is broken by decoherence. In particular, we consider a ring-shaped incommensurate charge density wave (ICDW ring) threaded by a fluctuating magnetic flux: the Caldeira-Leggett model is used to model the fluctuating flux as a bath of harmonic oscillators. We show that the charge density expectation value of a quantized ICDW ring coupled to its environment oscillates periodically. The Hamiltonians considered in this model are time independent unlike "Floquet time crystals" considered recently. Our model forms a metastable quantum time crystal with a finite length in space and in time.

Optimized dielectric properties of SrTiO3:Nb /SrTiO3 (001) films for high field effect charge densities

NASA Astrophysics Data System (ADS)

Cai, Xiuyu; Frisbie, C. Daniel; Leighton, C.

2006-12-01

The authors report the growth, structural and electrical characterizations of SrTiO3 films deposited on conductive SrTiO3:Nb (001) substrates by high pressure reactive rf magnetron sputtering. Optimized deposition parameters yield smooth epitaxial layers of high crystalline perfection with a room temperature dielectric constant ˜200 (for a thickness of 1150Å). The breakdown fields in SrTiO3:Nb /SrTiO3/Ag capacitors are consistent with induced charge densities >1×1014cm-2 for both holes and electrons, making these films ideal for high charge density field effect devices.

Simultaneous dual mode combustion engine operating on spark ignition and homogenous charge compression ignition

DOEpatents

Fiveland, Scott B.; Wiggers, Timothy E.

2004-06-22

An engine particularly suited to single speed operation environments, such as stationary power generators. The engine includes a plurality of combustion cylinders operable under homogenous charge compression ignition, and at least one combustion cylinder operable on spark ignition concepts. The cylinder operable on spark ignition concepts can be convertible to operate under homogenous charge compression ignition. The engine is started using the cylinders operable under spark ignition concepts.

The effect of the ambient plasma conditions on the variation of charge on dust grains

NASA Astrophysics Data System (ADS)

Chakraborty, M.; Kausik, S. S.; Saikia, B. K.; Kakati, M.; Bujarbarua, S.

2003-02-01

An experimental study has been performed into the variation of charge on dust grains with change in the ambient plasma conditons. A dust beam containing submicron sized silver grains was passed through plasma. The dust grains were charged by the plasma particles as well as by primary electrons from the filament. An increase in the filament current increased both the plasma density and the number density of the primary electrons. The grain charge was found out both from the deflection of the dust grains and also from the floating potential. The experimental observations shows that the secondary emission caused by the primary electrons significantly influenced and played a prominent role in the establishment of charge on the grains.

Fundamentally Addressing Bromine Storage through Reversible Solid-State Confinement in Porous Carbon Electrodes: Design of a High-Performance Dual-Redox Electrochemical Capacitor.

PubMed

Yoo, Seung Joon; Evanko, Brian; Wang, Xingfeng; Romelczyk, Monica; Taylor, Aidan; Ji, Xiulei; Boettcher, Shannon W; Stucky, Galen D

2017-07-26

Research in electric double-layer capacitors (EDLCs) and rechargeable batteries is converging to target systems that have battery-level energy density and capacitor-level cycling stability and power density. This research direction has been facilitated by the use of redox-active electrolytes that add faradaic charge storage to increase energy density of the EDLCs. Aqueous redox-enhanced electrochemical capacitors (redox ECs) have, however, performed poorly due to cross-diffusion of soluble redox couples, reduced cycle life, and low operating voltages. In this manuscript, we propose that these challenges can be simultaneously met by mechanistically designing a liquid-to-solid phase transition of oxidized catholyte (or reduced anolyte) with confinement in the pores of electrodes. Here we demonstrate the realization of this approach with the use of bromide catholyte and tetrabutylammonium cation that induces reversible solid-state complexation of Br 2 /Br 3 - . This mechanism solves the inherent cross-diffusion issue of redox ECs and has the added benefit of greatly stabilizing the reactive bromine generated during charging. Based on this new mechanistic insight on the utilization of solid-state bromine storage in redox ECs, we developed a dual-redox EC consisting of a bromide catholyte and an ethyl viologen anolyte with the addition of tetrabutylammonium bromide. In comparison to aqueous and organic electric double-layer capacitors, this system enhances energy by factors of ca. 11 and 3.5, respectively, with a specific energy of ∼64 W·h/kg at 1 A/g, a maximum power density >3 kW/kg, and cycling stability over 7000 cycles.

Comparison and characterization of different tunnel layers, suitable for passivated contact formation

NASA Astrophysics Data System (ADS)

Ling, Zhi Peng; Xin, Zheng; Ke, Cangming; Jammaal Buatis, Kitz; Duttagupta, Shubham; Lee, Jae Sung; Lai, Archon; Hsu, Adam; Rostan, Johannes; Stangl, Rolf

2017-08-01

Passivated contacts for solar cells can be realized using a variety of differently formed ultra-thin tunnel oxide layers. Assessing their interface properties is important for optimization purposes. In this work, we demonstrate the ability to measure the interface defect density distribution D it(E) and the fixed interface charge density Q f for ultra-thin passivation layers operating within the tunnel regime (<2 nm). Various promising tunnel layer candidates [i.e., wet chemically formed SiO x , UV photo-oxidized SiO x , and atomic layer deposited (ALD) AlO x ] are investigated for their potential application forming electron or hole selective tunnel layer passivated contacts. In particular, ALD AlO x is identified as a promising tunnel layer candidate for hole-extracting passivated contact formation, stemming from its high (negative) fixed interface charge density in the order of -6 × 1012 cm-2. This is an order of magnitude higher compared to wet chemically or UV photo-oxidized formed silicon oxide tunnel layers, while keeping the density of interface defect states D it at a similar level (in the order of ˜2 × 1012 cm-2 eV-1). This leads to additional field effect passivation and therefore to significantly higher measured effective carrier lifetimes (˜2 orders of magnitude). A surface recombination velocity of ˜40 cm/s has been achieved for a 1.5 nm thin ALD AlO x tunnel layer prior to capping by an additional hole transport material, like p-doped poly-Si or PEDOT:PSS.

Adsorption of weak polyelectrolytes on charged nanoparticles. Impact of salt valency, pH, and nanoparticle charge density. Monte Carlo simulations.

PubMed

Carnal, Fabrice; Stoll, Serge

2011-10-27

Complex formation between a weak flexible polyelectrolyte chain and one positively charged nanoparticle in presence of explicit counterions and salt particles is investigated using Monte Carlo simulations. The influence of parameters such as the nanoparticle surface charge density, salt valency, and solution property such as the pH on the chain protonation/deprotonation process and monomer adsorption at the nanoparticle surface are systematically investigated. It is shown that the nanoparticle presence significantly modifies chain acid/base and polyelectrolyte conformational properties. The importance of the attractive electrostatic interactions between the chain and the nanoparticle clearly promotes the chain deprotonation leading, at high pH and nanoparticle charge density, to fully wrapped polyelectrolyte at the nanoparticle surface. When the nanoparticle bare charge is overcompensated by the polyelectrolyte charges, counterions and salt particles condense at the surface of the polyelectrolyte-nanoparticle complex to compensate for the excess of charges providing from the adsorbed polyelectrolyte chain. It is also shown that the complex formation is significantly affected by the salt valency. Indeed, with the presence of trivalent salt cations, competition is observed between the nanoparticle and the trivalent cations. As a result, the amount of adsorbed monomers is less important than in the monovalent and divalent case and chain conformations are different due to the collapse of polyelectrolyte segments around trivalent cations out of the nanoparticle adsorption layer.

Analysis of microscopic parameters of surface charging in polymer caused by defocused electron beam irradiation.

PubMed

Liu, Jing; Zhang, Hai-Bo

2014-12-01

The relationship between microscopic parameters and polymer charging caused by defocused electron beam irradiation is investigated using a dynamic scattering-transport model. The dynamic charging process of an irradiated polymer using a defocused 30 keV electron beam is conducted. In this study, the space charge distribution with a 30 keV non-penetrating e-beam is negative and supported by some existing experimental data. The internal potential is negative, but relatively high near the surface, and it decreases to a maximum negative value at z=6 μm and finally tend to 0 at the bottom of film. The leakage current and the surface potential behave similarly, and the secondary electron and leakage currents follow the charging equilibrium condition. The surface potential decreases with increasing beam current density, trap concentration, capture cross section, film thickness and electron-hole recombination rate, but with decreasing electron mobility and electron energy. The total charge density increases with increasing beam current density, trap concentration, capture cross section, film thickness and electron-hole recombination rate, but with decreasing electron mobility and electron energy. This study shows a comprehensive analysis of microscopic factors of surface charging characteristics in an electron-based surface microscopy and analysis. Copyright © 2014 Elsevier Ltd. All rights reserved.

Aggregation of flexible polyelectrolytes: Phase diagram and dynamics.

PubMed

Tom, Anvy Moly; Rajesh, R; Vemparala, Satyavani

2017-10-14

Similarly charged polymers in solution, known as polyelectrolytes, are known to form aggregated structures in the presence of oppositely charged counterions. Understanding the dependence of the equilibrium phases and the dynamics of the process of aggregation on parameters such as backbone flexibility and charge density of such polymers is crucial for insights into various biological processes which involve biological polyelectrolytes such as protein, DNA, etc. Here, we use large-scale coarse-grained molecular dynamics simulations to obtain the phase diagram of the aggregated structures of flexible charged polymers and characterize the morphology of the aggregates as well as the aggregation dynamics, in the presence of trivalent counterions. Three different phases are observed depending on the charge density: no aggregation, a finite bundle phase where multiple small aggregates coexist with a large aggregate and a fully phase separated phase. We show that the flexibility of the polymer backbone causes strong entanglement between charged polymers leading to additional time scales in the aggregation process. Such slowing down of the aggregation dynamics results in the exponent, characterizing the power law decay of the number of aggregates with time, to be dependent on the charge density of the polymers. These results are contrary to those obtained for rigid polyelectrolytes, emphasizing the role of backbone flexibility.

Diffusive charge transport in graphene on SiO 2

NASA Astrophysics Data System (ADS)

Chen, J.-H.; Jang, C.; Ishigami, M.; Xiao, S.; Cullen, W. G.; Williams, E. D.; Fuhrer, M. S.

2009-07-01

We review our recent work on the physical mechanisms limiting the mobility of graphene on SiO 2. We have used intentional addition of charged scattering impurities and systematic variation of the dielectric environment to differentiate the effects of charged impurities and short-range scatterers. The results show that charged impurities indeed lead to a conductivity linear in density ( σ(n)∝n) in graphene, with a scattering magnitude that agrees quantitatively with theoretical estimates; increased dielectric screening reduces the scattering from charged impurities, but increases the scattering from short-range scatterers. We evaluate the effects of the corrugations (ripples) of graphene on SiO 2 on transport by measuring the height-height correlation function. The results show that the corrugations cannot mimic long-range (charged impurity) scattering effects, and have too small an amplitude-to-wavelength ratio to significantly affect the observed mobility via short-range scattering. Temperature-dependent measurements show that longitudinal acoustic phonons in graphene produce a resistivity that is linear in temperature and independent of carrier density; at higher temperatures, polar optical phonons of the SiO 2 substrate give rise to an activated, carrier density-dependent resistivity. Together the results paint a complete picture of charge carrier transport in graphene on SiO 2 in the diffusive regime.

Spacecraft dielectric surface charging property determination

NASA Technical Reports Server (NTRS)

Williamson, W. S.

1987-01-01

The charging properties of 127 micron thick polyimide, (a commonly used spacecraft dielectric material) was measured under conditions of irradiation by a low-current-density electron beam with energy between 2 and 14 keV. The observed charging characteristics were consistent with predictions of the NASCAP computer model. The use of low electron current density results in a nonlinearity in the sample-potential versus beam-energy characteristic which is attributed to conduction leakage through the sample. Microdischarges were present at relatively low beam energies.

Charge-exchange plasma generated by an ion thruster

NASA Technical Reports Server (NTRS)

Kaufman, H. R.

1977-01-01

The charge exchange plasma generated by an ion thruster was investigated experimentally using both 5 cm and 15 cm thrusters. Results are shown for wide ranges of radial distance from the thruster and angle from the beam direction. Considerations of test environment, as well as distance from the thruster, indicate that a valid simulation of a thruster on a spacecraft was obtained. A calculation procedure and a sample calculation of charge exchange plasma density and saturation electron current density are included.

Measurements of charge state breeding efficiency at BNL test EBIS

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

Kondrashev, S.; Alessi, J.; Beebe, E.N.

Charge breeding of singly charged ions is required to efficiently accelerate rare isotope ion beams for nuclear and astrophysics experiments, and to enhance the accuracy of low-energy Penning trap-assisted spectroscopy. An efficient charge breeder for the Californium Rare Isotope Breeder Upgrade (CARIBU) to the ANL Tandem Linear Accelerator System (ATLAS) facility is being developed using the BNL Test Electron Beam Ion Source (Test EBIS) as a prototype. Parameters of the CARIBU EBIS charge breeder are similar to those of the BNL Test EBIS except the electron beam current will be adjustable in the range from 1 to 2 {angstrom}. Themore » electron beam current density in the CARIBU EBIS trap will be significantly higher than in existing operational charge state breeders based on the EBIS concept. The charge state breeding efficiency is expected to be about 25% for the isotope ions extracted from the CARIBU. For the success of our EBIS project, it is essential to demonstrate high breeding efficiency at the BNL Test EBIS tuned to the regime close to the parameters of the CARIBU EBIS at ANL. The breeding efficiency optimization and measurements have been successfully carried out using a Cs{sup +} surface ionization ion source for externally pulsed injection into the BNL Test EBIS. A Cs{sup +} ion beam with a total number of ions of 5 x 10{sup 8} and optimized pulse length of 70 {mu}s has been injected into the Test EBIS and charge-bred for 5.3 ms for two different electron beam currents 1 and 1.5 {angstrom}. In these experiments we have achieved 70% injection/extraction efficiency and breeding efficiency into the most abundant charge state 17%.« less

Open-Circuit Voltage Losses in Selenium-Substituted Organic Photovoltaic Devices from Increased Density of Charge-Transfer States

DOE PAGES

Sulas, Dana B.; Yao, Kai; Intemann, Jeremy J.; ...

2015-09-12

Using an analysis based on Marcus theory, we characterize losses in open-circuit voltage (V OC) due to changes in charge-transfer state energy, electronic coupling, and spatial density of charge-transfer states in a series of polymer/fullerene solar cells. Here, we use a series of indacenodithiophene polymers and their selenium-substituted analogs as electron donor materials and fullerenes as the acceptors. By combining device measurements and spectroscopic studies (including subgap photocurrent, electroluminescence, and, importantly, time-resolved photoluminescence of the charge-transfer state) we are able to isolate the values for electronic coupling and the density of charge-transfer states (NCT), rather than the more commonly measuredmore » product of these values. We find values for NCT that are surprisingly large (~4.5 × 10 21–6.2 × 10 22 cm -3), and we find that a significant increase in N CT upon selenium substitution in donor polymers correlates with lower VOC for bulk heterojunction photovoltaic devices. The increase in N CT upon selenium substitution is also consistent with nanoscale morphological characterization. Using transmission electron microscopy, selected area electron diffraction, and grazing incidence wide-angle X-ray scattering, we find evidence of more intermixed polymer and fullerene domains in the selenophene blends, which have higher densities of polymer/fullerene interfacial charge-transfer states. Our results provide an important step toward understanding the spatial nature of charge-transfer states and their effect on the open-circuit voltage of polymer/fullerene solar cells« less

Overcharging below the nanoscale: Multivalent cations reverse the ion selectivity of a biological channel

NASA Astrophysics Data System (ADS)

García-Giménez, Elena; Alcaraz, Antonio; Aguilella, Vicente M.

2010-02-01

We report charge inversion within a nanoscopic biological protein ion channel in salts of multivalent ions. The presence of positive divalent and trivalent counterions reverses the cationic selectivity of the OmpF channel, a general diffusion porin located in the outer membrane of E. coli. We discuss the conditions under which charge inversion can be inferred from the change in sign of the measured quantity, the channel zero current potential. By comparing experimental results in protein channels whose charge has been modified after site-directed mutagenesis, the predictions of current theories of charge inversion are critically examined. It is emphasized that charge inversion does not necessarily increase with the bare surface charge density of the interface and that even this concept of surface charge density may become meaningless in some biological ion channels. Thus, any theory based on electrostatic correlations or chemical binding should explicitly take into account the particular structure of the charged interface.

NASCAP user's manual

NASA Technical Reports Server (NTRS)

Mandell, M. J.; Harvey, J. M.; Katz, I.

1977-01-01

The NASCAP (NASA Charging Analyzer Program) code simulates the charging process for a complex object in either tenuous plasma or ground test environment. Detailed specifications needed to run the code are presented. The object definition section, OBJDEF, allows the test object to be easily defined in the cubic mesh. The test object is composed of conducting sections which may be wholly or partially covered with thin dielectric coatings. The potential section, POTENT, obtains the electrostatic potential in the space surrounding the object. It uses the conjugate gradient method to solve the finite element formulation of Poisson's equation. The CHARGE section of NASCAP treats charge redistribution among the surface cells of the object as well as charging through radiation bombardment. NASCAP has facilities for extensive graphical output, including several types of object display plots, potential contour plots, space charge density contour plots, current density plots, and particle trajectory plots.

Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids

DOE PAGES

Lian, Cheng; Univ. of California, Riverside, CA; Zhao, Shuangliang; ...

2016-11-29

Understanding the charging kinetics of electric double layers is of fundamental importance for the design and development of novel electrochemical devices such as supercapacitors and field-effect transistors. In this paper, we study the dynamic behavior of room-temperature ionic liquids using a classical time-dependent density functional theory that accounts for the molecular excluded volume effects, the electrostatic correlations, and the dispersion forces. While the conventional models predict a monotonic increase of the surface charge with time upon application of an electrode voltage, our results show that dispersion between ions results in a non-monotonic increase of the surface charge with the durationmore » of charging. Finally and furthermore, we investigate the effects of van der Waals attraction between electrode/ionic-liquid interactions on the charging processes.« less

Charge Transport in Spiro-OMeTAD Investigated through Space-Charge-Limited Current Measurements

NASA Astrophysics Data System (ADS)

Röhr, Jason A.; Shi, Xingyuan; Haque, Saif A.; Kirchartz, Thomas; Nelson, Jenny

2018-04-01

Extracting charge-carrier mobilities for organic semiconductors from space-charge-limited conduction measurements is complicated in practice by nonideal factors such as trapping in defects and injection barriers. Here, we show that by allowing the bandlike charge-carrier mobility, trap characteristics, injection barrier heights, and the shunt resistance to vary in a multiple-trapping drift-diffusion model, a numerical fit can be obtained to the entire current density-voltage curve from experimental space-charge-limited current measurements on both symmetric and asymmetric 2 ,2',7 ,7' -tetrakis(N ,N -di-4-methoxyphenylamine)-9 ,9' -spirobifluorene (spiro-OMeTAD) single-carrier devices. This approach yields a bandlike mobility that is more than an order of magnitude higher than the effective mobility obtained using analytical approximations, such as the Mott-Gurney law and the moving-electrode equation. It is also shown that where these analytical approximations require a temperature-dependent effective mobility to achieve fits, the numerical model can yield a temperature-, electric-field-, and charge-carrier-density-independent mobility. Finally, we present an analytical model describing trap-limited current flow through a semiconductor in a symmetric single-carrier device. We compare the obtained charge-carrier mobility and trap characteristics from this analytical model to the results from the numerical model, showing excellent agreement. This work shows the importance of accounting for traps and injection barriers explicitly when analyzing current density-voltage curves from space-charge-limited current measurements.

Incoherent transport for phases that spontaneously break translations

NASA Astrophysics Data System (ADS)

Donos, Aristomenis; Gauntlett, Jerome P.; Griffin, Tom; Ziogas, Vaios

2018-04-01

We consider phases of matter at finite charge density which spontaneously break spatial translations. Without taking a hydrodynamic limit we identify a boost invariant incoherent current operator. We also derive expressions for the small frequency behaviour of the thermoelectric conductivities generalising those that have been derived in a translationally invariant context. Within holographic constructions we show that the DC conductivity for the incoherent current can be obtained from a solution to a Stokes flow for an auxiliary fluid on the black hole horizon combined with specific thermodynamic quantities associated with the equilibrium black hole solutions.

A neutral lithium beam source

NASA Astrophysics Data System (ADS)

Zhang, XiaoDong; Wang, ZhengMin; Hu, LiQun

1994-04-01

A low energy neutral lithium beam source with energy about 6 keV and a neutral beam equivalent current of 20 μA/cm2 has been developed in ASIPP in order to measure the density gradient and the fluctuations in the edge plasma of the HT-6M tokamak. In the source, lithium ions are extracted from a solid emitter (β-eucryptite), focused in a two-tube immersion lens, and neutralized in a charge-exchange cell with sodium. This source operates in pulsed mode. The pulse length is adjustable from 10 to 100 ms.

Sulfur poisoning of Ni/Gadolinium-doped ceria anodes: A long-term study outlining stable solid oxide fuel cell operation

NASA Astrophysics Data System (ADS)

Riegraf, Matthias; Zekri, Atef; Knipper, Martin; Costa, Rémi; Schiller, Günter; Friedrich, K. Andreas

2018-03-01

This work presents an analysis of the long-term behavior of nickel/gadolinium-doped ceria (CGO) anode-based solid oxide fuel cells (SOFC) under sulfur poisoning conditions. A parameter study of sulfur-induced irreversible long-term degradation of commercial, high-performance single cells was carried out at 900 °C for different H2/N2/H2S fuel gas atmospheres, current densities and Ni/CGO anodes. The poisoning periods of the cells varied from 200 to 1500 h. The possibility of stable long-term Ni/CGO anode operation under sulfur exposure is established and the critical operating regime is outlined. Depending on the operating conditions, two degradation phenomena can be observed. Small degradation of the ohmic resistance was witnessed for sulfur exposure times of approximately 1000 h. Moreover, degradation of the anode charge transfer resistance was observed to be triggered by the combination of a small anodic potential step and high sulfur coverage on Ni. The microstructural evolution of altered Ni/CGO anodes was examined post-mortem by means of SEM and FIB/SEM, and is correlated to the anode performance degradation under critical operating conditions, establishing Ni depletion, porosity increase and a tripe phase boundary density decrease in the anode functional layer. It is shown that short-term sulfur poisoning behavior can be used to assess long-term stability.

Battery control system for hybrid vehicle and method for controlling a hybrid vehicle battery

DOEpatents

Bockelmann, Thomas R [Battle Creek, MI; Beaty, Kevin D [Kalamazoo, MI; Zou, Zhanijang [Battle Creek, MI; Kang, Xiaosong [Battle Creek, MI

2009-07-21

A battery control system for controlling a state of charge of a hybrid vehicle battery includes a detecting arrangement for determining a vehicle operating state or an intended vehicle operating state and a controller for setting a target state of charge level of the battery based on the vehicle operating state or the intended vehicle operating state. The controller is operable to set a target state of charge level at a first level during a mobile vehicle operating state and at a second level during a stationary vehicle operating state or in anticipation of the vehicle operating in the stationary vehicle operating state. The invention further includes a method for controlling a state of charge of a hybrid vehicle battery.

Longitudinal density modulation and energy conversion in intense beams.

PubMed

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

2007-08-01

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

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

PubMed

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

2016-02-04

A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

Electronic structures and magnetic/optical properties of metal phthalocyanine complexes

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

Baba, Shintaro; Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.jp; Oku, Takeo

2016-02-01

Electronic structures and magnetic / optical properties of metal phthalocyanine complexes were studied by quantum calculations using density functional theory. Effects of central metal and expansion of π orbital on aromatic ring as conjugation system on the electronic structures, magnetic, optical properties and vibration modes of infrared and Raman spectra of metal phthalocyanines were investigated. Electron and charge density distribution and energy levels near frontier orbital and excited states were influenced by the deformed structures varied with central metal and charge. The magnetic parameters of chemical shifts in {sup 13}C-nuclear magnetic resonance ({sup 13}C-NMR), principle g-tensor, A-tensor, V-tensor of electricmore » field gradient and asymmetry parameters derived from the deformed structures with magnetic interaction of nuclear quadruple interaction based on electron and charge density distribution with a bias of charge near ligand under crystal field.« less

Transmission and reflection of charge-density wave packets in a quantum Hall edge controlled by a metal gate

NASA Astrophysics Data System (ADS)

Matsuura, Masahiro; Mano, Takaaki; Noda, Takeshi; Shibata, Naokazu; Hotta, Masahiro; Yusa, Go

2018-02-01

Quantum energy teleportation (QET) is a proposed protocol related to quantum vacuum. The edge channels in a quantum Hall system are well suited for the experimental verification of QET. For this purpose, we examine a charge-density wave packet excited and detected by capacitively coupled front gate electrodes. We observe the waveform of the charge packet, which is proportional to the time derivative of the applied square voltage wave. Further, we study the transmission and reflection behaviors of the charge-density wave packet by applying a voltage to another front gate electrode to control the path of the edge state. We show that the threshold voltages where the dominant direction is switched in either transmission or reflection for dense and sparse wave packets are different from the threshold voltage where the current stops flowing in an equilibrium state.

Electrodynamic Tether Operations beyond the Ionosphere in the Low-Density Magnetosphere

NASA Technical Reports Server (NTRS)

Stone, Nobie H.

2007-01-01

In the classical concept for the operation of electrodynamic tethers in space, a voltage is generated across the tether, either by the tether's orbital motion through the earth's planetary magnetic field or by a power supply; electrons are then collected from the ionospheric plasma at the positive pole; actively emitted back into space at the negative pole; and the circuit is closed by currents driven through the ambient conducting ionosphere. This concept has been proven to work in space by the Tethered Satellite System TSS-1 and TSS-1R Space Shuttle missions; and the Plasma Motor-Generator (PMG) tether flight experiment. However, it limits electrodynamic tether operations to the F-region of the ionosphere where the plasma density is sufficient to conduct the required currents--in other words, between altitudes of approximately 200 to 1000 km in sunlight. In the earth's shadow, the ionospheric density drops precipitously and tether operations, using the above approach, are not effective--even within this altitude range. There are numerous missions that require in-space propulsion in the Earth's shadow and/or outside of the above altitude range. This paper will, therefore, present the fundamentals of a concept that would allow electrodynamic tethers to operate almost anywhere within the magnetosphere, the region of space containing the earth's planetary magnetic field. In other words, because operations would be virtually independent of any ambient plasma, the range of electrodynamic operations would be extended into the earth's shadow and out to synchronous orbit--forty times the present operational range. The key to this concept is the active generation of plasma at each pole of the tether so that current generation ,does not depend on the conductivity of the ambient ionosphere. Arguments will be presented, based on ,existing flight data, which shed light on the behavior of charge emissions in space and show the plausibility of the concept.

A model and simulation of fast space charge pulses in polymers

NASA Astrophysics Data System (ADS)

Lv, Zepeng; Rowland, Simon M.; Wu, Kai

2017-11-01

The transport of space charge packets across polyethylene and epoxy resin in high electric fields has been characterized as fast or slow depending on packet mobility. Several explanations for the formation and transport of slow space charge packets have been proposed, but the origins of fast space charge pulses, with mobilities above 10-11 m2 V-1 s-1, are unclear. In one suggested model, it is assumed that the formation of fast charge pulses is due to discontinuous electromechanical compression and charge injection at the electrode-insulation interface, and their transport is related to corresponding relaxation processes. In that model, charges travel as a pulse because of group polarization. This paper provides an alternative model based on the reduction of charge carrier activation energy due to charge density triggered polymer chain movement and subsequent chain relaxation times. The generation and transport of fast charge pulses are readily simulated by a bipolar charge transport model with three additional parameters: reduced activation energy, charge density threshold, and chain relaxation time. Such a model is shown to reproduce key features of fast space charge pulses including speed, duration, repetition rate and pulse size. This model provides the basis for a deep understanding of the physical origins of fast space charge pulses in polymers.

Dimensional Crossover of Charge-Density Wave Correlations in the Cuprates

NASA Astrophysics Data System (ADS)

Caplan, Yosef; Orgad, Dror

2017-09-01

Short-range charge-density wave correlations are ubiquitous in underdoped cuprates. They are largely confined to the copper-oxygen planes and typically oscillate out of phase from one unit cell to the next in the c direction. Recently, it was found that a considerably longer-range charge-density wave order develops in YBa2 Cu3 O6 +x above a sharply defined crossover magnetic field. This order is more three-dimensional and is in-phase along the c axis. Here, we show that such behavior is a consequence of the conflicting ordering tendencies induced by the disorder potential and the Coulomb interaction, where the magnetic field acts to tip the scales from the former to the latter. We base our conclusion on analytic large-N analysis and Monte Carlo simulations of a nonlinear sigma model of competing superconducting and charge-density wave orders. Our results are in agreement with the observed phenomenology in the cuprates, and we discuss their implications to other members of this family, which have not been measured yet at high magnetic fields.

Holographic entanglement entropy of a 1 + 1 dimensional p-wave superconductor

NASA Astrophysics Data System (ADS)

Das, Sumit R.; Fujita, Mitsutoshi; Kim, Bom Soo

2017-09-01

We examine the behavior of entanglement entropy S A EE of a subsystem A in a fully backreacted holographic model of a 1 + 1 dimensional p wave superconductor across the phase transition. For a given temperature, the system goes to a superconducting phase beyond a critical value of the charge density. The entanglement entropy, considered as a function of the charge density at a given temperature, has a cusp at the critical point. In addition, we find that there are three different behaviors in the condensed phase, depending on the subsystem size. For a subsystem size l smaller than a critical size l c1, S A EE continues to increase as a function of the charge density as we cross the phase transition. When l lies between l c1 and another critical size l c2 the entanglement entropy displays a non-monotonic behavior, while for l > l c2 it decreases monotonically. At large charge densities S A EE appears to saturate. The non-monotonic behavior leads to a novel phase diagram for this system.

Grain Boundary Effect on Charge Transport in Pentacene Thin Films

NASA Astrophysics Data System (ADS)

Weis, Martin; Gmucová, Katarína; Nádaždy, Vojtech; Majková, Eva; Haško, Daniel; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-04-01

We report on charge transport properties of polycrystalline pentacene films with variable average grain size in the range from 0.1 to 0.3 µm controlled by the preparation technology. We illustrate with the organic field-effect transistors decrease of the effective mobility and presence of traps with decrease of the grain size. Analysis of the charge transfer excitons reveals decrease of the mobile charge density and the steady-state voltammetry showed significant increase of oxygen- and hydrogen-related defects. We also briefly discuss accumulation of the defects on the grain boundary and show relation between the defect density and grain boundary length.

Pulse I-V characterization of a nano-crystalline oxide device with sub-gap density of states

NASA Astrophysics Data System (ADS)

Kim, Taeho; Hur, Ji-Hyun; Jeon, Sanghun

2016-05-01

Understanding the charge trapping nature of nano-crystalline oxide semiconductor thin film transistors (TFTs) is one of the most important requirements for their successful application. In our investigation, we employed a fast-pulsed I-V technique for understanding the charge trapping phenomenon and for characterizing the intrinsic device performance of an amorphous/nano-crystalline indium-hafnium-zinc-oxide semiconductor TFT with varying density of states in the bulk. Because of the negligible transient charging effect with a very short pulse, the source-to-drain current obtained with the fast-pulsed I-V measurement was higher than that measured by the direct-current characterization method. This is because the fast-pulsed I-V technique provides a charge-trap free environment, suggesting that it is a representative device characterization methodology of TFTs. In addition, a pulsed source-to-drain current versus time plot was used to quantify the dynamic trapping behavior. We found that the charge trapping phenomenon in amorphous/nano-crystalline indium-hafnium-zinc-oxide TFTs is attributable to the charging/discharging of sub-gap density of states in the bulk and is dictated by multiple trap-to-trap processes.

Pulse I-V characterization of a nano-crystalline oxide device with sub-gap density of states.

PubMed

Kim, Taeho; Hur, Ji-Hyun; Jeon, Sanghun

2016-05-27

Understanding the charge trapping nature of nano-crystalline oxide semiconductor thin film transistors (TFTs) is one of the most important requirements for their successful application. In our investigation, we employed a fast-pulsed I-V technique for understanding the charge trapping phenomenon and for characterizing the intrinsic device performance of an amorphous/nano-crystalline indium-hafnium-zinc-oxide semiconductor TFT with varying density of states in the bulk. Because of the negligible transient charging effect with a very short pulse, the source-to-drain current obtained with the fast-pulsed I-V measurement was higher than that measured by the direct-current characterization method. This is because the fast-pulsed I-V technique provides a charge-trap free environment, suggesting that it is a representative device characterization methodology of TFTs. In addition, a pulsed source-to-drain current versus time plot was used to quantify the dynamic trapping behavior. We found that the charge trapping phenomenon in amorphous/nano-crystalline indium-hafnium-zinc-oxide TFTs is attributable to the charging/discharging of sub-gap density of states in the bulk and is dictated by multiple trap-to-trap processes.

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.

Role of Surface Charge Density in Nanoparticle-templated Assembly of Bromovirus Protein Cages

PubMed Central

Daniel, Marie-Christine; Tsvetkova, Irina B.; Quinkert, Zachary T.; Murali, Ayaluru; De, Mrinmoy; Rotello, Vincent M.; Kao, C. Cheng; Dragnea, Bogdan

2010-01-01

Self-assembling icosahedral protein cages have potencially useful physical and chemical characteristics for a variety of nanotechnology applications, ranging from therapeutic or diagnostic vectors to building blocks for hierarchical materials. For application-specific functional control of protein cage assemblies, a deeper understanding of the interaction between the protein cage and its payload is necessary. Protein-cage encapsulated nanoparticles, with their well-defined surface chemistry, allow for systematic control over key parameters of encapsulation such as the surface charge, hydrophobicity, and size. Independent control over these variables allows experimental testing of different assembly mechanism models. Previous studies done with Brome mosaic virus capsids and negatively-charged gold nanoparticles indicated that the result of the self-assembly process depends on the diameter of the particle. However, in these experiments, the surface-ligand density was maintained at saturation levels, while the total charge and the radius of curvature remained coupled variables, making the interpretation of the observed dependence on the core size difficult. The current work furnishes evidence of a critical surface charge density for assembly through an analysis aimed at decoupling the surface charge the core size. PMID:20575505

Molecular receptors in metal oxide sol-gel materials prepared via molecular imprinting

DOEpatents

Sasaki, Darryl Y.; Brinker, C. Jeffrey; Ashley, Carol S.; Daitch, Charles E.; Shea, Kenneth J.; Rush, Daniel J.

2000-01-01

A method is provided for molecularly imprinting the surface of a sol-gel material, by forming a solution comprised of a sol-gel material, a solvent, an imprinting molecule, and a functionalizing siloxane monomer of the form Si(OR).sub.3-n X.sub.n, wherein n is an integer between zero and three and X is a functional group capable of reacting with the imprinting molecule, evaporating the solvent, and removing the imprinting molecule to form the molecularly imprinted metal oxide sol-gel material. The use of metal oxide sol-gels allows the material porosity, pore size, density, surface area, hardness, electrostatic charge, polarity, optical density, and surface hydrophobicity to be tailored and be employed as sensors and in catalytic and separations operations.

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case.

PubMed

Guillot, Benoît; Jelsch, Christian; Podjarny, Alberto; Lecomte, Claude

2008-05-01

The valence electron density of the protein human aldose reductase was analyzed at 0.66 angstroms resolution. The methodological developments in the software MoPro to adapt standard charge-density techniques from small molecules to macromolecular structures are described. The deformation electron density visible in initial residual Fourier difference maps was significantly enhanced after high-order refinement. The protein structure was refined after transfer of the experimental library multipolar atom model (ELMAM). The effects on the crystallographic statistics, on the atomic thermal displacement parameters and on the structure stereochemistry are analyzed. Constrained refinements of the transferred valence populations Pval and multipoles Plm were performed against the X-ray diffraction data on a selected substructure of the protein with low thermal motion. The resulting charge densities are of good quality, especially for chemical groups with many copies present in the polypeptide chain. To check the effect of the starting point on the result of the constrained multipolar refinement, the same charge-density refinement strategy was applied but using an initial neutral spherical atom model, i.e. without transfer from the ELMAM library. The best starting point for a protein multipolar refinement is the structure with the electron density transferred from the database. This can be assessed by the crystallographic statistical indices, including Rfree, and the quality of the static deformation electron-density maps, notably on the oxygen electron lone pairs. The analysis of the main-chain bond lengths suggests that stereochemical dictionaries would benefit from a revision based on recently determined unrestrained atomic resolution protein structures.

Efficiently accounting for ion correlations in electrokinetic nanofluidic devices using density functional theory.

PubMed

Gillespie, Dirk; Khair, Aditya S; Bardhan, Jaydeep P; Pennathur, Sumita

2011-07-15

The electrokinetic behavior of nanofluidic devices is dominated by the electrical double layers at the device walls. Therefore, accurate, predictive models of double layers are essential for device design and optimization. In this paper, we demonstrate that density functional theory (DFT) of electrolytes is an accurate and computationally efficient method for computing finite ion size effects and the resulting ion-ion correlations that are neglected in classical double layer theories such as Poisson-Boltzmann. Because DFT is derived from liquid-theory thermodynamic principles, it is ideal for nanofluidic systems with small spatial dimensions, high surface charge densities, high ion concentrations, and/or large ions. Ion-ion correlations are expected to be important in these regimes, leading to nonlinear phenomena such as charge inversion, wherein more counterions adsorb at the wall than is necessary to neutralize its surface charge, leading to a second layer of co-ions. We show that DFT, unlike other theories that do not include ion-ion correlations, can predict charge inversion and other nonlinear phenomena that lead to qualitatively different current densities and ion velocities for both pressure-driven and electro-osmotic flows. We therefore propose that DFT can be a valuable modeling and design tool for nanofluidic devices as they become smaller and more highly charged. Copyright © 2011 Elsevier Inc. All rights reserved.

Molecular dynamics investigation of the ionic liquid/enzyme interface: application to engineering enzyme surface charge.

PubMed

Burney, Patrick R; Nordwald, Erik M; Hickman, Katie; Kaar, Joel L; Pfaendtner, Jim

2015-04-01

Molecular simulations of the enzymes Candida rugosa lipase and Bos taurus α-chymotrypsin in aqueous ionic liquids 1-butyl-3-methylimidazolium chloride and 1-ethyl-3-methylimidazolium ethyl sulfate were used to study the change in enzyme-solvent interactions induced by modification of the enzyme surface charge. The enzymes were altered by randomly mutating lysine surface residues to glutamate, effectively decreasing the net surface charge by two for each mutation. These mutations resemble succinylation of the enzyme by chemical modification, which has been shown to enhance the stability of both enzymes in ILs. After establishing that the enzymes were stable on the simulated time scales, we focused the analysis on the organization of the ionic liquid substituents about the enzyme surface. Calculated solvent charge densities show that for both enzymes and in both solvents that changing positively charged residues to negative charge does indeed increase the charge density of the solvent near the enzyme surface. The radial distribution of IL constituents with respect to the enzyme reveals decreased interactions with the anion are prevalent in the modified systems when compared to the wild type, which is largely accompanied by an increase in cation contact. Additionally, the radial dependence of the charge density and ion distribution indicates that the effect of altering enzyme charge is confined to short range (≤1 nm) ordering of the IL. Ultimately, these results, which are consistent with that from prior experiments, provide molecular insight into the effect of enzyme surface charge on enzyme stability in ILs. © 2015 Wiley Periodicals, Inc.

On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory.

PubMed

Ziegler, Tom; Krykunov, Mykhaylo

2010-08-21

It is well known that time-dependent density functional theory (TD-DFT) based on standard gradient corrected functionals affords both a quantitative and qualitative incorrect picture of charge transfer transitions between two spatially separated regions. It is shown here that the well known failure can be traced back to the use of linear response theory. Further, it is demonstrated that the inclusion of higher order terms readily affords a qualitatively correct picture even for simple functionals based on the local density approximation. The inclusion of these terms is done within the framework of a newly developed variational approach to excitation energies called constrained variational density functional theory (CV-DFT). To second order [CV(2)-DFT] this theory is identical to adiabatic TD-DFT within the Tamm-Dancoff approximation. With inclusion of fourth order corrections [CV(4)-DFT] it affords a qualitative correct description of charge transfer transitions. It is finally demonstrated that the relaxation of the ground state Kohn-Sham orbitals to first order in response to the change in density on excitation together with CV(4)-DFT affords charge transfer excitations in good agreement with experiment. The new relaxed theory is termed R-CV(4)-DFT. The relaxed scheme represents an effective way in which to introduce double replacements into the description of single electron excitations, something that would otherwise require a frequency dependent kernel.

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.

Control rod drive hydraulic system

DOEpatents

Ose, Richard A.

1992-01-01

A hydraulic system for a control rod drive (CRD) includes a variable output-pressure CR pump operable in a charging mode for providing pressurized fluid at a charging pressure, and in a normal mode for providing the pressurized fluid at a purge pressure, less than the charging pressure. Charging and purge lines are disposed in parallel flow between the CRD pump and the CRD. A hydraulic control unit is disposed in flow communication in the charging line and includes a scram accumulator. An isolation valve is provided in the charging line between the CRD pump and the scram accumulator. A controller is operatively connected to the CRD pump and the isolation valve and is effective for opening the isolation valve and operating the CRD pump in a charging mode for charging the scram accumulator, and closing the isolation valve and operating the CRD pump in a normal mode for providing to the CRD through the purge line the pressurized fluid at a purge pressure lower than the charging pressure.

Utilizing whey protein isolate and polysaccharide complexes to stabilize aerated dairy gels.

PubMed

O'Chiu, Emily; Vardhanabhuti, Bongkosh

2017-05-01

Heated soluble complexes of whey protein isolate (WPI) with polysaccharides may be used to modify the properties of aerated dairy gels, which could be formulated into novel-textured high-protein desserts. The objective of this study was to determine the effect of polysaccharide charge density and concentration within a WPI-polysaccharide complex on the physical properties of aerated gels. Three polysaccharides having different degrees of charge density were chosen: low-methoxyl pectin, high-methoxyl type D pectin, and guar gum. Heated complexes were prepared by heating the mixed dispersions (8% protein, 0 to 1% polysaccharide) at pH 7. To form aerated gels, 2% glucono-δ-lactone was added to the dispersions of skim milk powder and heated complex and foam was generated by whipping with a handheld frother. The foam set into a gel as the glucono-δ-lactone acidified to a final pH of 4.5. The aerated gels were evaluated for overrun, drainage, gel strength, and viscoelastic properties. Without heated complexes, stable aerated gels could not be formed. Overrun of aerated gel decreased (up to 73%) as polysaccharide concentration increased from 0.105 to 0.315% due to increased viscosity, which limited air incorporation. A negative relationship was found between percent drainage and dispersion viscosity. However, plotting of drainage against dispersion viscosity separated by polysaccharide type revealed that drainage decreased most in samples with high-charge-density, low-methoxyl pectin followed by those with low-charge-density, high-methoxyl type D pectin. Aerated gels with guar gum (no charge) did not show improvement to stability. Rheological results showed no significant difference in gelation time among samples; therefore, stronger interactions between WPI and high-charge-density polysaccharide were likely responsible for increased stability. Stable dairy aerated gels can be created from WPI-polysaccharide complexes. High-charge-density polysaccharides, at concentrations that provide adequate viscosity, are needed to achieve stability while also maintaining dispersion overrun capabilities. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

On the symmetry of the boundary conditions of the volume potential

NASA Astrophysics Data System (ADS)

Kal'menov, Tynysbek Sh.; Arepova, Gaukhar; Suragan, Durvudkhan

2017-09-01

It is well known that the volume potential determines the mass or the charge distributed over the domain with density f. The volume potential is extensively used in function theory and embedding theorems. It is also well known that the volume potential gives a solution to an inhomogeneous equation. And it generates a linear self-adjoint operator. It is known that self-adjoint differential operators are generated by boundary conditions. In our previous papers for an arbitrary domain a boundary condition on the volume potential is given. In the past, it was not possible to prove the self-adjointness of these obtained boundary conditions. In the present paper, we prove the symmetry of boundary condition for the volume potential.

Plasma property and performance prediction for mercury ion thrusters

NASA Technical Reports Server (NTRS)

Longhurst, G. R.; Wilbur, P. J.

1979-01-01

The discharge chambers of mercury ion thrusters are modelled so the principal effects and processes which govern discharge plasma properties and thruster performance are described. The conservation relations for mass, charge and energy when applied to the Maxwellian electron population in the ion production region yield equations which may be made one-dimensional by the proper choice of coordinates. Solutions to these equations with the appropriate boundary conditions give electron density and temperature profiles which agree reasonably well with measurements. It is then possible to estimate plasma properties from thruster design data and those operating parameters which are directly controllable. By varying the operating parameter inputs to the computer code written to solve these equations, perfromance curves are obtained which agree quite well with measurements.

Atomistic simulation on charge mobility of amorphous tris(8-hydroxyquinoline) aluminum (Alq3): origin of Poole-Frenkel-type behavior.

PubMed

Nagata, Yuki; Lennartz, Christian

2008-07-21

The atomistic simulation of charge transfer process for an amorphous Alq(3) system is reported. By employing electrostatic potential charges, we calculate site energies and find that the standard deviation of site energy distribution is about twice as large as predicted in previous research. The charge mobility is calculated via the Miller-Abrahams formalism and the master equation approach. We find that the wide site energy distribution governs Poole-Frenkel-type behavior of charge mobility against electric field, while the spatially correlated site energy is not a dominant mechanism of Poole-Frenkel behavior in the range from 2x10(5) to 1.4x10(6) V/cm. Also we reveal that randomly meshed connectivities are, in principle, required to account for the Poole-Frenkel mechanism. Charge carriers find a zigzag pathway at low electric field, while they find a straight pathway along electric field when a high electric field is applied. In the space-charge-limited current scheme, the charge-carrier density increases with electric field strength so that the nonlinear behavior of charge mobility is enhanced through the strong charge-carrier density dependence of charge mobility.

Directional Dependence of Hydrogen Bonds: a Density-based Energy Decomposition Analysis and Its Implications on Force Field Development

PubMed Central

Lu, Zhenyu; Zhou, Nengjie; Wu, Qin; Zhang, Yingkai

2011-01-01

One well-known shortcoming of widely-used biomolecular force fields is the description of the directional dependence of hydrogen bonding (HB). Here we aim to better understand the origin of this difficulty and thus provide some guidance for further force field development. Our theoretical approaches center on a novel density-based energy decomposition analysis (DEDA) method [J. Chem. Phys., 131, 164112 (2009)], in which the frozen density energy is variationally determined through constrained search. This unique and most significant feature of DEDA enables us to find that the frozen density interaction term is the key factor in determining the HB orientation, while the sum of polarization and charge-transfer components shows very little HB directional dependence. This new insight suggests that the difficulty for current non-polarizable force fields to describe the HB directional dependence is not due to the lack of explicit polarization or charge-transfer terms. Using the DEDA results as reference, we further demonstrate that the main failure coming from the atomic point charge model can be overcome largely by introducing extra charge sites or higher order multipole moments. Among all the electrostatic models explored, the smeared charge distributed multipole model (up to quadrupole), which also takes account of charge penetration effects, gives the best agreement with the corresponding DEDA results. Meanwhile, our results indicate that the van der Waals interaction term needs to be further improved to better model directional hydrogen bonding. PMID:22267958

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

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

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlapmore » matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.« less

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings.

PubMed

Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas; Neugebauer, Johannes

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Ångstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

Electrolyte additive enabled fast charging and stable cycling lithium metal batteries

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

Zheng, Jianming; Engelhard, Mark H.; Mei, Donghai

2017-03-01

Batteries using lithium (Li) metal as anodes are considered promising energy storage systems because of their high energy densities. However, safety concerns associated with dendrite growth along with limited cycle life, especially at high charge current densities, hinder their practical uses. Here we report that an optimal amount (0.05 M) of LiPF6 as an additive in LiTFSI-LiBOB dual-salt/carbonate-solvent-based electrolytes significantly enhances the charging capability and cycling stability of Li metal batteries. In a Li metal battery using a 4-V Li-ion cathode at a moderately high loading of 1.75mAh cm(-2), a cyclability of 97.1% capacity retention after 500 cycles along withmore » very limited increase in electrode overpotential is accomplished at a charge/discharge current density up to 1.75 mA cm(-2). The fast charging and stable cycling performances are ascribed to the generation of a robust and conductive solid electrolyte interphase at the Li metal surface and stabilization of the Al cathode current collector.« less

A simulation study of radial expansion of an electron beam injected into an ionospheric plasma

NASA Technical Reports Server (NTRS)

Koga, J.; Lin, C. S.

1994-01-01

Injections of nonrelativistic electron beams from a finite equipotential conductor into an ionospheric plasma have been simulated using a two-dimensional electrostatic particle code. The purpose of the study is to survey the simulation parameters for understanding the dependence of beam radius on physical variables. The conductor is charged to a high potential when the background plasma density is less than the beam density. Beam electrons attracted by the charged conductor are decelerated to zero velocity near the stagnation point, which is at a few Debye lengths from the conductor. The simulations suggest that the beam electrons at the stagnation point receive a large transverse kick and the beam expands radially thereafter. The buildup of beam electrons at the stagnation point produces a large electrostatic force responsible for the transverse kick. However, for the weak charging cases where the background plasma density is larger than the beam density, the radial expansion mechanism is different; the beam plasma instability is found to be responsible for the radial expansion. The simulations show that the electron beam radius for high spacecraft charging cases is of the order of the beam gyroradius, defined as the beam velocity divided by the gyrofrequency. In the weak charging cases, the beam radius is only a fraction of the beam gyroradius. The parameter survey indicates that the beam radius increases with beam density and decreases with magnetic field and beam velocity. The beam radius normalized by the beam gyroradius is found to scale according to the ratio of the beam electron Debye length to the ambient electron Debye length. The parameter dependence deduced would be useful for interpreting the beam radius and beam density of electron beam injection experiments conducted from rockets and the space shuttle.

Influence of defects on the charge density wave of ([SnSe] 1+δ) 1(VSe 2) 1 ferecrystals

DOE PAGES

Falmbigl, Matthias; Putzky, Daniel; Ditto, Jeffrey; ...

2015-07-14

A series of ferecrystalline compounds ([SnSe] 1+δ) 1(VSe 2) 1 with varying Sn/V ratios were synthesized using the modulated elemental reactant technique. Temperature-dependent specific heat data reveal a phase transition at 102 K, where the heat capacity changes abruptly. An abrupt increase in electrical resistivity occurs at the same temperature, correlated with an abrupt increase in the Hall coefficient. Combined with the magnitude and nature of the specific heat discontinuity, this suggests that the transition is similar to the charge density wave transitions in transition metal dichalcogenides. An ordered intergrowth was formed over a surprisingly wide compositional range of Sn/Vmore » ratios of 0.89 ≤ 1 + δ ≤ 1.37. X-ray diffraction and transmission electron microscopy reveal the formation of various volume defects in the compounds in response to the nonstoichiometry. The electrical resistivity and Hall coefficient data of samples with different Sn/V ratios show systematic variation in the carrier concentration with the Sn/V ratio. There is no significant change in the onset temperature of the charge density wave transition, only a variation in the carrier densities before and after the transition. Given the sensitivity of the charge density wave transitions of transition metal dichalcogenides to variations in composition, it is very surprising that the charge density wave transition observed at 102 K for ([SnSe] 1.15) 1(VSe 2) 1 is barely influenced by the nonstoichiometry and structural defects. As a result, this might be a consequence of the two-dimensional nature of the structurally independent VSe 2 layers.« less

Electrokinetic flow in a capillary with a charge-regulating surface polymer layer.

PubMed

Keh, Huan J; Ding, Jau M

2003-07-15

An analytical study of the steady electrokinetic flow in a long uniform capillary tube or slit is presented. The inside wall of the capillary is covered by a layer of adsorbed or covalently bound charge-regulating polymer in equilibrium with the ambient electrolyte solution. In this solvent-permeable and ion-penetrable surface polyelectrolyte layer, ionogenic functional groups and frictional segments are assumed to distribute at uniform densities. The electrical potential and space charge density distributions in the cross section of the capillary are obtained by solving the linearized Poisson-Boltzmann equation. The fluid velocity profile due to the application of an electric field and a pressure gradient through the capillary is obtained from the analytical solution of a modified Navier-Stokes/Brinkman equation. Explicit formulas for the electroosmotic velocity, the average fluid velocity and electric current density on the cross section, and the streaming potential in the capillary are also derived. The results demonstrate that the direction of the electroosmotic flow and the magnitudes of the fluid velocity and electric current density are dominated by the fixed charge density inside the surface polymer layer, which is determined by the regulation characteristics such as the dissociation equilibrium constants of the ionogenic functional groups in the surface layer and the concentration of the potential-determining ions in the bulk solution.

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Space Weather Monitoring for ISS Geomagnetic Storm Studies

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Parker, Neergaard

2013-01-01

The International Space Station (ISS) space environments community utilizes near real time space weather data to support a variety of ISS engineering and science activities. The team has operated the Floating Potential Measurement Unit (FPMU) suite of plasma instruments (two Langmuir probes, a floating potential probe, and a plasma impedance probe) on ISS since 2006 to obtain in-situ measurements of plasma density and temperature along the ISS orbit and variations in ISS frame potential due to electrostatic current collection from the plasma environment (spacecraft charging) and inductive (vxB) effects from the vehicle motion across the Earth s magnetic field. An ongoing effort is to use FPMU for measuring the ionospheric response to geomagnetic storms at ISS altitudes and investigate auroral charging of the vehicle as it passes through regions of precipitating auroral electrons. This work is challenged by restrictions on FPMU operations that limit observation time to less than about a third of a year. As a result, FPMU campaigns ranging in length from a few days to a few weeks are typically scheduled weeks in advance for ISS engineering and payload science activities. In order to capture geomagnetic storm data under these terms, we monitor near real time space weather data from NASA, NOAA, and ESA sources to determine solar wind disturbance arrival times at Earth likely to be geoeffective (including coronal mass ejections and high speed streams associated with coronal holes) and activate the FPMU ahead of the storm onset. Using this technique we have successfully captured FPMU data during a number of geomagnetic storm periods including periods with ISS auroral charging. This presentation will describe the strategies and challenges in capturing FPMU data during geomagnetic storms, the near real time space weather resources utilized for monitoring the space weather environment, and provide examples of auroral charging data obtained during storm operations.

Fractional Fourier transform of Lorentz-Gauss vortex beams

NASA Astrophysics Data System (ADS)

Zhou, GuoQuan; Wang, XiaoGang; Chu, XiuXiang

2013-08-01

An analytical expression for a Lorentz-Gauss vortex beam passing through a fractional Fourier transform (FRFT) system is derived. The influences of the order of the FRFT and the topological charge on the normalized intensity distribution, the phase distribution, and the orbital angular momentum density of a Lorentz-Gauss vortex beam in the FRFT plane are examined. The order of the FRFT controls the beam spot size, the orientation of the beam spot, the spiral direction of the phase distribution, the spatial orientation of the two peaks in the orbital angular momentum density distribution, and the magnitude of the orbital angular momentum density. The increase of the topological charge not only results in the dark-hollow region becoming large, but also brings about detail changes in the beam profile. The spatial orientation of the two peaks in the orbital angular momentum density distribution and the phase distribution also depend on the topological charge.

Possible influence of the Kuramoto length in a photo-catalytic water splitting reaction revealed by Poisson-Nernst-Planck equations involving ionization in a weak electrolyte

NASA Astrophysics Data System (ADS)

Suzuki, Yohichi; Seki, Kazuhiko

2018-03-01

We studied ion concentration profiles and the charge density gradient caused by electrode reactions in weak electrolytes by using the Poisson-Nernst-Planck equations without assuming charge neutrality. In weak electrolytes, only a small fraction of molecules is ionized in bulk. Ion concentration profiles depend on not only ion transport but also the ionization of molecules. We considered the ionization of molecules and ion association in weak electrolytes and obtained analytical expressions for ion densities, electrostatic potential profiles, and ion currents. We found the case that the total ion density gradient was given by the Kuramoto length which characterized the distance over which an ion diffuses before association. The charge density gradient is characterized by the Debye length for 1:1 weak electrolytes. We discuss the role of these length scales for efficient water splitting reactions using photo-electrocatalytic electrodes.

Behavior of collisional sheath in electronegative plasma with q-nonextensive electron distribution

NASA Astrophysics Data System (ADS)

Borgohain, Dima Rani; Saharia, K.

2018-03-01

Electronegative plasma sheath is addressed in a collisional unmagnetized plasma consisting of q-nonextensive electrons, Boltzmann distributed negative ions and cold fluid positive ions. Considering the positive ion-neutral collisions and ignoring the effects of ionization and collisions between negative species and positive ions (neutrals), a modified Bohm sheath criterion and hence floating potential are derived by using multifluid model. Using the modified Bohm sheath criterion, the sheath characteristics such as spatial profiles of density, potential and net space charge density have been numerically investigated. It is found that increasing values of q-nonextensivity, electronegativity and collisionality lead to a decrease of the sheath thickness and an increase of the sheath potential and the net space charge density. With increasing values of the electron temperature to negative ion temperature ratio, the sheath thickness increases and the sheath potential as well as the net space charge density in the sheath region decreases.

Degradation of Si/Ge core/shell nanowire heterostructures during lithiation and delithiation at 0.8 and 20 A g-1.

PubMed

Kim, Dongheun; Li, Nan; Sheehan, Chris J; Yoo, Jinkyoung

2018-04-26

Si/Ge core/shell nanowire heterostructures have been expected to provide high energy and power densities for lithium ion battery anodes due to the large capacity of Si and the high electrical and ionic conductivities of Ge. Although the battery anode performances of Si/Ge core/shell nanowire heterostructures have been characterized, the degradation of Si/Ge core/shell nanowire heterostructures has not been thoroughly investigated. Here we report the compositional and structural changes of the Si/Ge core/shell nanowire heterostructure over cycling of lithiation and delithiation at different charging rates. The Si/Ge core/shell nanowire heterostructure holds the core and shell structure at a charging rate of 0.8 A g-1 up to 50 cycles. On the other hand, compositional intermixing and loss of Si occur at a charging rate of 20 A g-1 within 50 cycles. The operation condition-dependent degradation provides a new aspect of materials research for the development of high performance lithium ion battery anodes with a long cycle life.

Invalidity of the Fermi liquid theory and magnetic phase transition in quasi-1D dopant-induced armchair-edged graphene nanoribbons

NASA Astrophysics Data System (ADS)

Hoi, Bui Dinh; Davoudiniya, Masoumeh; Yarmohammadi, Mohsen

2018-04-01

Based on theoretically tight-binding calculations considering nearest neighbors and Green's function technique, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons with width ranging from 9.83 Å to 69.3 Å would be observed in the presence of injecting electrons by doping. This transition is explained by the temperature-dependent static charge susceptibility through calculation of the correlation function of charge density operators. This work showed that charge concentration of dopants in such system plays a crucial role in determining the magnetic phase. A variety of multicritical points such as transition temperatures and maximum susceptibility are compared in undoped and doped cases. Our findings show that there exist two different transition temperatures and maximum susceptibility depending on the ribbon width in doped structures. Another remarkable point refers to the invalidity (validity) of the Fermi liquid theory in nanoribbons-based systems at weak (strong) concentration of dopants. The obtained interesting results of magnetic phase transition in such system create a new potential for magnetic graphene nanoribbon-based devices.

The Effect of Oxidation and Charge/Discharge rates on Li Plating in All-Solid-State Batteries

NASA Astrophysics Data System (ADS)

Yulaev, Alexander; Oleshko, Vladimir; Talin, A. Alec; Leite, Marina S.; Kolmakov, Andrei

All-solid-state Li-ion batteries (SSLIBs) is currently an extensive area of research due to their promising specific power and energy density properties. Moreover, SSLIBs significantly mitigate the safety risks of the thermal runaway that may occur in liquid electrolyte batteries. We fabricated a model SSLIB, which consists of LiCoO2 cathode layer, LiPON as an electrolyte, and a model ultra-thin carbon anode. Using in operando scanning electron microscopy in conjunction with electrochemical measurements, we found that depending on ambient oxidizing conditions and charging rate, the morphology of plated lithium alternates between quasi-1D and 3D microstructures. In addition, we were able to use an electron beam as a virtual nano-electrode to selectively control the nucleation rate and Li growth structure during the SSLIB charging with high spatial resolution. Finally, we determined the conditions when lithium may be oxidized even during battery cycling under UHV conditions, leading to significant capacity losses. We foresee that our work will provide deeper insights into a safe SSLIB performance under real world operating conditions.

Domain wall remote pinning in magnetic nano wires

NASA Astrophysics Data System (ADS)

Read, Dan; Miguel, Jorge; Maccherozzi, Francesco; Cavill, Stuart; Dhesi, Sarnjeet; Cardiff University Collaboration; Diamond Light Source Collaboration

2013-03-01

In the current race for information storage media with ever increasing density the position of magnetic domain walls, the region in a magnetic system where the local magnetization continually rotates its direction between adjacent magnetic domains, is one of the most promising routes for future storage media devices. Information storage requires ultrafast read-out and writing operations, but domain walls need to be pinned so that the information is safely stored in the long term. Here we investigate the use of remote magnetostatic charges to trap domain walls. By using X-ray photoelectron emission microscopy we have followed the position of domain walls of opposite charge being pinned or repelled by pinning potentials of increasing strength. Micromagnetic simulations show an excellent agreement with the experimental results. We demonstrate the attractive or repulsive character of the interaction between domain wall and trap depending upon the sign of their magnetic charges. These quasi-static experiments are the antecedent to ultrafast time-resolved XMCD-PEEM experiments where the spin-transfer torque effect will be studied dynamically by applying picosecond-long current pulses across the magnetic nanowire.

Development of a repetitive compact torus injector

NASA Astrophysics Data System (ADS)

Onchi, Takumi; McColl, David; Dreval, Mykola; Rohollahi, Akbar; Xiao, Chijin; Hirose, Akira; Zushi, Hideki

2013-10-01

A system for Repetitive Compact Torus Injection (RCTI) has been developed at the University of Saskatchewan. CTI is a promising fuelling technology to directly fuel the core region of tokamak reactors. In addition to fuelling, CTI has also the potential for (a) optimization of density profile and thus bootstrap current and (b) momentum injection. For steady-state reactor operation, RCTI is necessary. The approach to RCTI is to charge a storage capacitor bank with a large capacitance and quickly charge the CT capacitor bank through a stack of integrated-gate bipolar transistors (IGBTs). When the CT bank is fully charged, the IGBT stack will be turned off to isolate banks, and CT formation/acceleration sequence will start. After formation of each CT, the fast bank will be replenished and a new CT will be formed and accelerated. Circuits for the formation and the acceleration in University of Saskatchewan CT Injector (USCTI) have been modified. Three CT shots at 10 Hz or eight shots at 1.7 Hz have been achieved. This work has been sponsored by the CRC and NSERC, Canada.

Resolution of identity approximation for the Coulomb term in molecular and periodic systems.

PubMed

Burow, Asbjörn M; Sierka, Marek; Mohamed, Fawzi

2009-12-07

A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 muhartree per atom, for both molecular and periodic systems.

Resolution of identity approximation for the Coulomb term in molecular and periodic systems

NASA Astrophysics Data System (ADS)

Burow, Asbjörn M.; Sierka, Marek; Mohamed, Fawzi

2009-12-01

A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 μhartree per atom, for both molecular and periodic systems.

Characteristics of the Dust-Plasma Interaction Near Enceladus' South Pole

NASA Technical Reports Server (NTRS)

Shafiq, Muhammad; Wahlund, J.-E.; Morooka, M. W; Kurth, W. S.; Farrell, W. M.

2010-01-01

We present RPWS Langmuir probe data from the third Enceladus flyby (E3) showing (he presence of dusty plasma near Enceladus' South Pole. There is a sharp rise in both the electron and ion number densities when the spacecraft traverses through Enceladus plume. The ion density near Enceladus is found to increase abruptly from about 10(exp 2) cm (exp -3) before the closest approach to 10(exp 5) cm (exp -3) just 30 s after the closest approach, an amount two orders of magnitude higher than the electron density. Assuming that the inconsistency between the electron and ion number densities is due to the presence of dust particles that are collecting the missing electron charges, we present dusty plasma characteristics down to sub-micron particle sizes. By assuming a differential dust number density for a range in dust sizes and by making use of Langmuir probe data, the dust densities for certain lower limits in dust size distribution were estimated. In order to achieve the dust densities of micrometer and larger sized grains comparable to the ones reported in the literature. we show that the power law size distribution must hold down to at least 0.03 micron such that the total differential number density is dominated by the smallest sub-micron sized grains. The total dust number density in Enceladus' plume is of the order of l0(exp 2) cm(exp -3) reducing to 1 cm(exp -3) in the E- ring. The dust density for micrometer and larger sized grains is estimated to be about 10(exp -4) cm(exp -3) in the plume while it is about 10(exp -6) - 10(exp -7) cm(exp -3) in the E-ring. Dust charge for micron sized grains is estimated to be about eight thousand electron charges reducing to below one hundred electron charges for 0.03 micron sized grains. The effective dusty plasma Debye length is estimated and compared with intergrain distance as well as the electron Debye length. The maximum dust charging time of 1.4 h is found for 0.03 11mmicron sized grains just 1 min before the closest approach. The charging time decreases substantially in the plume where it is only a fraction of a second for 1 micron sized grains, 1 s for 0.l micron sized grains and about 10 s for 0.03 micron sized grains.

Preparation of etched tantalum semimicro capacitor stimulation electrodes.

PubMed

Robblee, L S; Kelliher, E M; Langmuir, M E; Vartanian, H; McHardy, J

1983-03-01

The ideal electrode for stimulation of the nervous system is one that will inject charge by purely capacitive processes. One approach is to exploit the type of metal-oxide combination used in electrolytic capacitors, e.g., Ta/Ta2O5. For this purpose, fine tantalum wire (0.25 mm diam) was etched electrolytically at constant current in a methanol solution of NH4Br containing 1.5 wt % H2O. Electrolytic etching produced a conical tip with a length of ca. 0.5 mm and shaft diameters ranging from 0.10 to 0.16 mm. The etched electrodes were anodized to 10 V (vs. SCE) in 0.1 vol % H3PO4. The capacitance values normalized to geometric area of etched electrodes ranged from 0.13 to 0.33 micro F mm-2. Comparison of these values to the capacitance of "smooth" tantalum anodized to 10 V (0.011 micro F mm-2) indicated that the degree of surface enhancement, or etch ratio, was 12-30. The surface roughness was confirmed by scanning electron microscopy studies which revealed an intricate array of irregularly shaped surface projections about 1-2 micrometers wide. The etched electrodes were capable of delivering 0.06-0.1 micro C of charge with 0.1 ms pulses at a pulse repetition rate of 400 Hz when operated at 50% of the anodization voltage. This quantity of charge corresponded to volumetric charge densities of 20-30 micro C mm-3 and area charge densities of 0.55-0.88 micro C mm-2. Charge storage was proportionately higher at higher fractional values of the formation voltage. Leakage currents at 5 V were ca. 2 nA. Neither long-term passive storage (1500 h) nor extended pulsing time (18 h) had a deleterious effect on electrode performance. The trend in electrical stimulation work is toward smaller electrodes. The procedures developed in this study should be particularly well-suited to the fabrication of even smaller electrodes because of the favorable electrical and geometric characteristics of the etched surface.

20 CFR 655.211 - Petition for higher meal charges.

Code of Federal Regulations, 2010 CFR

2010-04-01

... relation to food service operations, such as wages of cooks and restaurant supervisors; fuel, water, electricity, and other utilities used for the food service operations; other costs directly related to the food service operation. Charges for transportation, depreciation, overhead, and similar charges may not...

Enhanced charging kinetics of porous electrodes: surface conduction as a short-circuit mechanism.

PubMed

Mirzadeh, Mohammad; Gibou, Frederic; Squires, Todd M

2014-08-29

We use direct numerical simulations of the Poisson-Nernst-Planck equations to study the charging kinetics of porous electrodes and to evaluate the predictive capabilities of effective circuit models, both linear and nonlinear. The classic transmission line theory of de Levie holds for general electrode morphologies, but only at low applied potentials. Charging dynamics are slowed appreciably at high potentials, yet not as significantly as predicted by the nonlinear transmission line model of Biesheuvel and Bazant. We identify surface conduction as a mechanism which can effectively "short circuit" the high-resistance electrolyte in the bulk of the pores, thus accelerating the charging dynamics and boosting power densities. Notably, the boost in power density holds only for electrode morphologies with continuous conducting surfaces in the charging direction.

Anomalous mobility of highly charged particles in pores

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

Qiu, Yinghua; Yang, Crystal; Hinkle, Preston

2015-07-16

Single micropores in resistive-pulse technique were used to understand a complex dependence of particle mobility on its surface charge density. We show that the mobility of highly charged carboxylated particles decreases with the increase of the solution pH due to an interplay of three effects: (i) ion condensation, (ii) formation of an asymmetric electrical double layer around the particle, and (iii) electroosmotic flow induced by the charges on the pore walls and the particle surfaces. The results are important for applying resistive-pulse technique to determine surface charge density and zeta potential of the particles. As a result, the experiments alsomore » indicate the presence of condensed ions, which contribute to the measured current if a sufficiently high electric field is applied across the pore.« less

Attraction between like-charged monovalent ions.

PubMed

Zangi, Ronen

2012-05-14

Ions with like-charges repel each other with a magnitude given by the Coulomb law. The repulsion is also known to persist in aqueous solutions albeit factored by the medium's dielectric constant. In this paper, we report results from molecular dynamics simulations of alkali halides salt solutions indicating an effective attraction between some of the like-charged monovalent ions. The attraction is observed between anions, as well as between cations, leading to the formation of dimers with lifetimes on the order of few picoseconds. Two mechanisms have been identified to drive this counterintuitive attraction. The first is exhibited by high-charge density ions, such as fluoride, at low salt concentrations, yielding effective attractions with magnitude up to the order of 1-2 kT. In this case, the stronger local electric field generated when the two ions are in contact augments the alignment of neighboring waters toward the ions. This results in a gain of substantial favorable ion-water interaction energy. For fluorides, this interaction constitutes the major change among the different energy components compensating for the anion-anion repulsion, and therefore, rendering like-charge association possible. The second mechanism involves mediation by counterions, the attractions increase with salt concentration and are characterized by small magnitudes. In particular, clusters of ion triplets, in which a counterion is either bridging the two like-charged ions or is paired to only one of them, are formed. Although these two mechanisms may not yield net attractions in many cases, they might still be operational and significant, explaining effective repulsions between like-charged ions with magnitudes much smaller than expected based on continuum electrostatics.

Is the negative glow plasma of a direct current glow discharge negatively charged?

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

Bogdanov, E. A.; Saifutdinov, A. I.; Demidov, V. I., E-mail: Vladimir.Demidov@mail.wvu.edu

A classic problem in gas discharge physics is discussed: what is the sign of charge density in the negative glow region of a glow discharge? It is shown that traditional interpretations in text-books on gas discharge physics that states a negative charge of the negative glow plasma are based on analogies with a simple one-dimensional model of discharge. Because the real glow discharges with a positive column are always two-dimensional, the transversal (radial) term in divergence with the electric field can provide a non-monotonic axial profile of charge density in the plasma, while maintaining a positive sign. The numerical calculationmore » of glow discharge is presented, showing a positive space charge in the negative glow under conditions, where a one-dimensional model of the discharge would predict a negative space charge.« less

Effect of Hydrogen Charging on the Stress Corrosion Behavior of 2205 Duplex Stainless Steel Under 3.5 wt.% NaCl Thin Electrolyte Layer

NASA Astrophysics Data System (ADS)

Zhao, Tianliang; Liu, Zhiyong; Hu, Shanshan; Du, Cuiwei; Li, Xiaogang

2017-05-01

The effect of hydrogen charging on the stress corrosion cracking (SCC) behavior of 2205 duplex stainless steel (DSS) under 3.5 wt.% NaCl thin electrolyte layer was investigated on precharged samples through hydrogen determination, electrochemical measurement, and slow strain rate tensile test. Results show that hydrogen charging weakens the passive film without inducing any obvious trace of localized anodic dissolution. Therefore, hydrogen charging increases the SCC susceptibility of 2205 DSS mainly through mechanism of hydrogen embrittlement rather than mechanism of localized anodic dissolution. 2205 DSS shows a more susceptibility to hydrogen under the TEL when hydrogen charging current density (HCCD) is between 20 and 50 mA cm-2. The increasing trend is remarkable when hydrogen charging current density increases from 20 to 50 mA cm-2 and fades after 50 mA cm-2.

Anisotropic charged stellar models in Generalized Tolman IV spacetime

NASA Astrophysics Data System (ADS)

Murad, Mohammad Hassan; Fatema, Saba

2015-01-01

With the presence of electric charge and pressure anisotropy some anisotropic stellar models have been developed. An algorithm recently presented by Herrera et al. (Phys. Rev. D 77, 027502 (2008)) to generate static spherically symmetric anisotropic solutions of Einstein's equations has been used to derive relativistic anisotropic charged fluid spheres. In the absence of pressure anisotropy the fluid spheres reduce to some well-known Generalized Tolman IV exact metrics. The astrophysical significance of the resulting equations of state (EOS) for a particular case (Wyman-Leibovitz-Adler) for the anisotropic charged matter distribution has been discussed. Physical analysis shows that the relativistic stellar structure obtained in this work may reasonably model an electrically charged compact star, whose energy density associated with the electric fields is on the same order of magnitude as the energy density of fluid matter itself like electrically charged bare strange quark stars.

Adaptive powertrain control for plugin hybrid electric vehicles

DOEpatents

Kedar-Dongarkar, Gurunath; Weslati, Feisel

2013-10-15

A powertrain control system for a plugin hybrid electric vehicle. The system comprises an adaptive charge sustaining controller; at least one internal data source connected to the adaptive charge sustaining controller; and a memory connected to the adaptive charge sustaining controller for storing data generated by the at least one internal data source. The adaptive charge sustaining controller is operable to select an operating mode of the vehicle's powertrain along a given route based on programming generated from data stored in the memory associated with that route. Further described is a method of adaptively controlling operation of a plugin hybrid electric vehicle powertrain comprising identifying a route being traveled, activating stored adaptive charge sustaining mode programming for the identified route and controlling operation of the powertrain along the identified route by selecting from a plurality of operational modes based on the stored adaptive charge sustaining mode programming.

Room-temperature current blockade in atomically defined single-cluster junctions

NASA Astrophysics Data System (ADS)

Lovat, Giacomo; Choi, Bonnie; Paley, Daniel W.; Steigerwald, Michael L.; Venkataraman, Latha; Roy, Xavier

2017-11-01

Fabricating nanoscopic devices capable of manipulating and processing single units of charge is an essential step towards creating functional devices where quantum effects dominate transport characteristics. The archetypal single-electron transistor comprises a small conducting or semiconducting island separated from two metallic reservoirs by insulating barriers. By enabling the transfer of a well-defined number of charge carriers between the island and the reservoirs, such a device may enable discrete single-electron operations. Here, we describe a single-molecule junction comprising a redox-active, atomically precise cobalt chalcogenide cluster wired between two nanoscopic electrodes. We observe current blockade at room temperature in thousands of single-cluster junctions. Below a threshold voltage, charge transfer across the junction is suppressed. The device is turned on when the temporary occupation of the core states by a transiting carrier is energetically enabled, resulting in a sequential tunnelling process and an increase in current by a factor of ∼600. We perform in situ and ex situ cyclic voltammetry as well as density functional theory calculations to unveil a two-step process mediated by an orbital localized on the core of the cluster in which charge carriers reside before tunnelling to the collector reservoir. As the bias window of the junction is opened wide enough to include one of the cluster frontier orbitals, the current blockade is lifted and charge carriers can tunnel sequentially across the junction.

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.

Measurements of Ionospheric Density, Temperature, and Spacecraft Charging in a Space Weather Constellation

NASA Astrophysics Data System (ADS)

Balthazor, R. L.; McHarg, M. G.; Wilson, G.

2016-12-01

The Integrated Miniaturized Electrostatic Analyzer (IMESA) is a space weather sensor developed by the United States Air Force Academy and integrated and flown by the DoD's Space Test Program. IMESA records plasma spectrograms from which can be derived plasma density, temperature, and spacecraft frame charging. Results from IMESA currently orbiting on STPSat-3 are presented, showing frame charging effects dependent on a complex function of the number of solar panel cell strings switched in, solar panel current, and plasma density. IMESA will fly on four more satellites launching in the next two calendar years, enabling an undergraduate DoD space weather constellation in Low Earth Orbit that has the ability to significantly improve space weather forecasting capabilities using assimilative forecast models.

Effect of aqueous electrolytes on the electrochemical behaviors of supercapacitors based on hierarchically porous carbons

NASA Astrophysics Data System (ADS)

Zhang, Xiaoyan; Wang, Xianyou; Jiang, Lanlan; Wu, Hao; Wu, Chun; Su, Jingcang

2012-10-01

Hierarchically porous carbons (HPCs) have been prepared by sol-gel self-assembly technology with nickel oxide and surfactant as the dual template. The porous carbons are further activated by nitric acid. The electrochemical behaviors of supercapacitors using HPCs as electrode material in different aqueous electrolytes, e.g., (NH4)2SO4, Na2SO4, H2SO4 and KOH are studied by cyclic voltametry, galvanostatic charge/discharge, cyclic life, leakage current, self-discharge and electrochemical impedance spectroscopy. The results demonstrate that the supercapacitors in various electrolytes perform definitely capacitive behaviors; especially in 6 M KOH electrolyte the supercapacitor represents the best electrochemical performance, the shortest relaxation time, and nearly ideal polarisability. The energy density of 8.42 Wh kg-1 and power density of 17.22 kW kg-1 are obtained at the operated voltage window of 1.0 V. Especially, the energy density of 11.54 Wh kg-1 and power density of 10.58 kW kg-1 can be achieved when the voltage is up to 1.2 V.

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

PubMed

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

2012-03-12

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

A comprehensive study of charge trapping in organic field-effect devices with promising semiconductors and different contact metals by displacement current measurements

NASA Astrophysics Data System (ADS)

Bisoyi, Sibani; Rödel, Reinhold; Zschieschang, Ute; Kang, Myeong Jin; Takimiya, Kazuo; Klauk, Hagen; Tiwari, Shree Prakash

2016-02-01

A systematic and comprehensive study on the charge-carrier injection and trapping behavior was performed using displacement current measurements in long-channel capacitors based on four promising small-molecule organic semiconductors (pentacene, DNTT, C10-DNTT and DPh-DNTT). In thin-film transistors, these semiconductors showed charge-carrier mobilities ranging from 1.0 to 7.8 cm2 V-1 s-1. The number of charges injected into and extracted from the semiconductor and the density of charges trapped in the device during each measurement were calculated from the displacement current characteristics and it was found that the density of trapped charges is very similar in all devices and of the order 1012 cm-2, despite the fact that the four semiconductors show significantly different charge-carrier mobilities. The choice of the contact metal (Au, Ag, Cu, Pd) was also found to have no significant effect on the trapping behavior.

Trapped charge densities in Al{sub 2}O{sub 3}-based silicon surface passivation layers

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

Jordan, Paul M., E-mail: Paul.Jordan@namlab.com; Simon, Daniel K.; Dirnstorfer, Ingo

2016-06-07

In Al{sub 2}O{sub 3}-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al{sub 2}O{sub 3} layers are grown by atomic layer deposition with very thin (∼1 nm) SiO{sub 2} or HfO{sub 2} interlayers or interface layers. In SiO{sub 2}/Al{sub 2}O{sub 3} and HfO{sub 2}/Al{sub 2}O{sub 3} stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured inmore » pure Al{sub 2}O{sub 3}. In Al{sub 2}O{sub 3}/SiO{sub 2}/Al{sub 2}O{sub 3} or Al{sub 2}O{sub 3}/HfO{sub 2}/Al{sub 2}O{sub 3} stacks, very high total charge densities of up to 9 × 10{sup 12} cm{sup −2} are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al{sub 2}O{sub 3} layer thickness between silicon and the HfO{sub 2} or the SiO{sub 2} interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al{sub 2}O{sub 3} layers opens the possibility to engineer the field-effect passivation in the solar cells.« less

Charge Injection Capacity of TiN Electrodes for an Extended Voltage Range

PubMed Central

Patan, Mustafa; Shah, Tosha; Sahin, Mesut

2011-01-01

Many applications of neural stimulation demand a high current density from the electrodes used for stimulus delivery. New materials have been searched that can provide such large current and charge densities where the traditional noble metal and capacitor electrodes are inadequate. Titanium nitride, which has been used in cardiac pacemaker leads for many years, is one of these materials recently considered for neural stimulation. In this short report, we investigated the charge injection capacity of TiN electrodes for an extended range of cathodic voltages. The injected charge increased first slowly as a function of the electrode voltage, and then at a faster rate beyond −1.6 V. The maximum charge was 4.45 mC/cm2 (n=6) for a cathodic voltage peak of −3.0 V and a bias voltage of −0.8 V. There was no evidence of bubble generation under microscopic observation. The unrecoverable charges remained under 7% of the total injected charge for the largest cathodic voltage tested. These large values of charge injection capacity and relatively small unrecoverable charges warrant further investigation of the charge injection mechanism in TiN interfaces at this extended range of electrode voltages. PMID:17946870

Survival of charged ρ condensation at high temperature and density

NASA Astrophysics Data System (ADS)

Liu, Hao; Yu, Lang; Huang, Mei

2016-02-01

The charged vector ρ mesons in the presence of external magnetic fields at finite temperature T and chemical potential μ have been investigated in the framework of the Nambu-Jona-Lasinio model. We compute the masses of charged ρ mesons numerically as a function of the magnetic field for different values of temperature and chemical potential. The self-energy of the ρ meson contains the quark-loop contribution, i.e. the leading order contribution in 1/Nc expansion. The charged ρ meson mass decreases with the magnetic field and drops to zero at a critical magnetic field eBc, which indicates that the charged vector meson condensation, i.e. the electromagnetic superconductor can be induced above the critical magnetic field. Surprisingly, it is found that the charged ρ condensation can even survive at high temperature and density. At zero temperature, the critical magnetic field just increases slightly with the chemical potential, which indicates that charged ρ condensation might occur inside compact stars. At zero density, in the temperature range 0.2-0.5 GeV, the critical magnetic field for charged ρ condensation is in the range of 0.2-0.6 GeV2, which indicates that a high temperature electromagnetic superconductor might be created at LHC. Supported by the NSFC (11275213, 11261130311) (CRC 110 by DFG and NSFC), CAS Key Project (KJCX2-EW-N01), and Youth Innovation Promotion Association of CAS. L.Yu is Partially Supported by China Postdoctoral Science Foundation (2014M550841)

Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.

PubMed

Chamorro, Ester R; Sequeira, Alfredo F; Zalazar, M Fernanda; Peruchena, Nélida M

2008-09-15

In the present work, the distribution of the electronic charge density of the natural sex pheromone, the (Z)-13-hexadecen-11-ynyl acetate, in the female processionary moth, Thaumetopoea pytiocampa, and its nine analogue derivatives was studied within the framework of the Density Functional Theory and the Atoms in Molecules (AIM) Theory at B3LYP/6-31G *//B3LYP/6-31++G * * level. Additionally, molecular electrostatic potential (MEP) maps of the previously mentioned compounds were computed and compared. Furthermore, the substitution of hydrogen atoms from the methyl group in the acetate group by electron withdrawing substituents (i.e., halogen atoms) as well as the replacement effect of hydrogen by electron donor substituents (+I effect) as methyl group, were explored. The key feature of the topological distribution of the charge density in analogue compounds, such as the variations of the topological properties encountered in the region formed by neighbouring atoms from the substitution site were presented and discussed. Using topological parameters, such as electronic charge density, Laplacian, kinetic energy density, and potential energy density evaluated at bond critical points (BCP), we provide here a detailed analysis of the nature of the chemical bonding of these molecules. In addition, the atomic properties (population, charge, energy, volume, and dipole moment) were determined on selected atoms. These properties were analyzed at the substitution site (with respect to the natural sex pheromone) and related to the biological activity and to the possible binding site with the pheromone binding protein, (PBP). Moreover, the Laplacian function of the electronic density was used to locate electrophilic regions susceptible to be attacked (by deficient electron atoms or donor hydrogen). Our results indicate that the change in the atomic properties, such as electronic population and atomic volume, are sensitive indicators of the loss of the biological activity in the analogues studied here. The crucial interaction between the acetate group of the natural sex pheromone and the PBP is most likely to be a hydrogen bonding and the substitution of hydrogen atoms by electronegative atoms in the pheromone molecule reduces the hydrogen acceptor capacity. This situation is mirrored by the diminish of the electronic population on carbon and oxygen atoms at the carbonylic group in the halo-acetate group. Additionally, the modified acetate group (with electronegative atoms) shows new charge concentration critical points or regions of concentration of charge density in which an electrophilic attack can also occur. Finally, the use of the topological analysis based in the charge density distribution and its Laplacian function, in conjunction with MEP maps provides valuable information about the steric volume and electronic requirement of the sex pheromone for binding to the PBP.

Adsorption of a cationic dye molecule on polystyrene microspheres in colloids: effect of surface charge and composition probed by second harmonic generation.

PubMed

Eckenrode, Heather M; Jen, Shih-Hui; Han, Jun; Yeh, An-Gong; Dai, Hai-Lung

2005-03-17

Nonlinear optical probe, second harmonic generation (SHG), of the adsorption of the dye molecule malachite green (MG), in cationic form at pH < or = 5, on polystyrene microspheres in aqueous solution is used to study the effect of surface charge and composition on molecular adsorption. Three types of polystyrene microspheres with different surface composition are investigated: (1) a sulfate terminated, anionic surface, (2) a neutral surface without any functional group termination, and (3) an amine terminated, cationic surface. The cationic dye was found to adsorb at all three surfaces, regardless of surface charge. The adsorption free energies, DeltaG's, measured for the three surfaces are -12.67, -12.39, and -10.46 kcal/mol, respectively, with the trend as expected from the charge interactions. The adsorption density on the anionic surface, where attractive charge-charge interaction dominates, is determined by the surface negative charge density. The adsorption densities on the neutral and cationic surfaces are on the other hand higher, perhaps as a result of a balance between minimizing repulsive charge interaction and maximizing attractive molecule-substrate and intermolecular interactions. The relative strength of the SH intensity per molecule, in combination of a model calculation, reveals that the C(2) axis of the MG molecule is nearly perpendicular to the surface on the anionic surface and tilts away from the surface norm when the surface is neutral and further away when cationic. Changing the pH of the solution may alter the surface charge and subsequently affect the adsorption configuration and SH intensity.

Multi-layered nanocomposite dielectrics for high density organic memory devices

NASA Astrophysics Data System (ADS)

Kang, Moonyeong; Chung, Kyungwha; Baeg, Kang-Jun; Kim, Dong Ha; Kim, Choongik

2015-01-01

We fabricated organic memory devices with metal-pentacene-insulator-silicon structure which contain double dielectric layers comprising 3D pattern of Au nanoparticles (Au NPs) and block copolymer (PS-b-P2VP). The role of Au NPs is to charge/discharge carriers upon applied voltage, while block copolymer helps to form highly ordered Au NP patterns in the dielectric layer. Double-layered nanocomposite dielectrics enhanced the charge trap density (i.e., trapped charge per unit area) by Au NPs, resulting in increase of the memory window (ΔVth).

Impact of Silicon Doping on Low-Frequency Charge Noise and Conductance Drift in GaAs/AlxGa1 -xAs Nanostructures

NASA Astrophysics Data System (ADS)

Fallahi, S.; Nakamura, J. R.; Gardner, G. C.; Yannell, M. M.; Manfra, M. J.

2018-03-01

We present measurements of low-frequency charge noise and conductance drift in modulation-doped GaAs /AlxGa1 -xAs heterostructures grown by molecular beam epitaxy in which the silicon doping density is varied from 2.4 ×1018 (critically doped) to 6.0 ×1018 cm-3 (overdoped). Quantum point contacts are used to detect charge fluctuations. A clear reduction of both short-time-scale telegraphic noise and long-time-scale conductance drift with decreased doping density is observed. These measurements indicate that the neutral doping region plays a significant role in charge noise and conductance drift.

Interfacial Ordering and Accompanying Divergent Capacitance at Ionic Liquid-Metal Interfaces.

PubMed

Limmer, David T

2015-12-18

A theory is constructed for dense ionic solutions near charged planar walls that is valid for strong interionic correlations. This theory predicts a fluctuation-induced, first-order transition and spontaneous charge density ordering at the interface, in the presence of an otherwise disordered bulk solution. The surface ordering is driven by applied voltage and results in an anomalous differential capacitance, in agreement with recent simulation results and consistent with experimental observations of a wide array of systems. Explicit forms for the charge density profile and capacitance are given. The theory is compared with numerical results for the charge frustrated Ising model, which is also found to exhibit a voltage driven first-order transition.

Interfacial Ordering and Accompanying Divergent Capacitance at Ionic Liquid-Metal Interfaces

NASA Astrophysics Data System (ADS)

Limmer, David T.

2015-12-01

A theory is constructed for dense ionic solutions near charged planar walls that is valid for strong interionic correlations. This theory predicts a fluctuation-induced, first-order transition and spontaneous charge density ordering at the interface, in the presence of an otherwise disordered bulk solution. The surface ordering is driven by applied voltage and results in an anomalous differential capacitance, in agreement with recent simulation results and consistent with experimental observations of a wide array of systems. Explicit forms for the charge density profile and capacitance are given. The theory is compared with numerical results for the charge frustrated Ising model, which is also found to exhibit a voltage driven first-order transition.