Switching power pulse system

DOEpatents

Aaland, Kristian

1983-01-01

A switching system for delivering pulses of power from a source (10) to a load (20) using a storage capacitor (C3) charged through a rectifier (D1, D2), and maintained charged to a reference voltage level by a transistor switch (Q1) and voltage comparator (12). A thyristor (22) is triggered to discharge the storage capacitor through a saturable reactor (18) and fractional turn saturable transformer (16) having a secondary to primary turn ratio N of n:l/n=n.sup.2. The saturable reactor (18) functions as a "soaker" while the thyristor reaches saturation, and then switches to a low impedance state. The saturable transformer functions as a switching transformer with high impedance while a load coupling capacitor (C4) charges, and then switches to a low impedance state to dump the charge of the storage capacitor (C3) into the load through the coupling capacitor (C4). The transformer is comprised of a multilayer core (26) having two secondary windings (28, 30) tightly wound and connected in parallel to add their output voltage and reduce output inductance, and a number of single turn windings connected in parallel at nodes (32, 34) for the primary winding, each single turn winding linking a different one of the layers of the multilayer core. The load may be comprised of a resistive beampipe (40) for a linear particle accelerator and capacitance of a pulse forming network (42). To hold off discharge of the capacitance until it is fully charged, a saturable core (44) is provided around the resistive beampipe (40) to isolate the beampipe from the capacitance (42) until it is fully charged.

Heavy ion charge-state distribution effects on energy loss in plasmas.

PubMed

Barriga-Carrasco, Manuel D

2013-10-01

According to dielectric formalism, the energy loss of the heavy ion depends on its velocity and its charge density. Also, it depends on the target through its dielectric function; here the random phase approximation is used because it correctly describes fully ionized plasmas at any degeneracy. On the other hand, the Brandt-Kitagawa (BK) model is employed to depict the projectile charge space distribution, and the stripping criterion of Kreussler et al. is used to determine its mean charge state [Q]. This latter criterion implies that the mean charge state depends on the electron density and temperature of the plasma. Also, the initial charge state of the heavy ion is crucial for calculating [Q] inside the plasma. Comparing our models and estimations with experimental data, a very good agreement is found. It is noticed that the energy loss in plasmas is higher than that in the same cold gas cases, confirming the well-known enhanced plasma stopping (EPS). In this case, EPS is only due to the increase in projectile effective charge Q(eff), which is obtained as the ratio between the energy loss of each heavy ion and that of the proton in the same plasma conditions. The ratio between the effective charges in plasmas and in cold gases is higher than 1, but it is not as high as thought in the past. Finally, another significant issue is that the calculated effective charge in plasmas Q(eff) is greater than the mean charge state [Q], which is due to the incorporation of the BK charge distribution. When estimations are performed without this distribution, they do not fit well with experimental data.

Charge transfer in low-energy collisions of H with He+ and H+ with He in excited states

NASA Astrophysics Data System (ADS)

Loreau, J.; Ryabchenko, S.; Muñoz Burgos, J. M.; Vaeck, N.

2018-04-01

The charge transfer process in collisions of excited (n = 2, 3) hydrogen atoms with He+ and in collisions of excited helium atoms with H+ is studied theoretically. A combination of a fully quantum-mechanical method and a semi-classical approach is employed to calculate the charge-exchange cross sections at collision energies from 0.1 eV u‑1 up to 1 keV u‑1. These methods are based on accurate ab initio potential energy curves and non-adiabatic couplings for the molecular ion HeH+. Charge transfer can occur either in singlet or in triplet states, and the differences between the singlet and triplet spin manifolds are discussed. The dependence of the cross section on the quantum numbers n and l of the initial state is demonstrated. The isotope effect on the charge transfer cross sections, arising at low collision energy when H is substituted by D or T, is investigated. Rate coefficients are calculated for all isotopes up to 106 K. Finally, the impact of the present calculations on models of laboratory plasmas is discussed.

A density functional theory study on the active center of Fe-only hydrogenase: characterization and electronic structure of the redox states.

PubMed

Liu, Zhi-Pan; Hu, P

2002-05-08

We have carried out extensive density functional theory (DFT) calculations for possible redox states of the active center in Fe-only hydrogenases. The active center is modeled by [(H(CH(3))S)(CO)(CN(-))Fe(p)(mu-DTN)(mu-CO)Fe(d)(CO)(CN(-))(L)](z)() (z is the net charge in the complex; Fe(p)= the proximal Fe, Fe(d) = the distal Fe, DTN = (-SCH(2)NHCH(2)S-), L is the ligand that bonds with the Fe(d) at the trans position to the bridging CO). Structures of possible redox states are optimized, and CO stretching frequencies are calculated. By a detailed comparison of all the calculated structures and the vibrational frequencies with the available experimental data, we find that (i) the fully oxidized, inactive state is an Fe(II)-Fe(II) state with a hydroxyl (OH(-)) group bonded at the Fe(d), (ii) the oxidized, active state is an Fe(II)-Fe(I) complex which is consistent with the assignment of Cao and Hall (J. Am. Chem. Soc. 2001, 123, 3734), and (iii) the fully reduced state is a mixture with the major component being a protonated Fe(I)-Fe(I) complex and the other component being its self-arranged form, Fe(II)-Fe(II) hydride. Our calculations also show that the exogenous CO can strongly bond with the Fe(II)-Fe(I) species, but cannot bond with the Fe(I)-Fe(I) complex. This result is consistent with experiments that CO tends to inhibit the oxidized, active state, but not the fully reduced state. The electronic structures of all the redox states have been analyzed. It is found that a frontier orbital which is a mixing state between the e(g) of Fe and the 2 pi of the bridging CO plays a key role concerning the reactivity of Fe-only hydrogenases: (i) it is unoccupied in the fully oxidized, inactive state, half-occupied in the oxidized, active state, and fully occupied in the fully reduced state; (ii) the e(g)-2 pi orbital is a bonding state, and this is the key reason for stability of the low oxidation states, such as Fe(I)-Fe(I) complexes; and (iii) in the e(g)-2 pi orbital more charge accumulates between the bridging CO and the Fe(d) than between the bridging CO and the Fe(p), and the occupation increase in this orbital will enhance the bonding between the bridging CO and the Fe(d), leading to the bridging-CO shift toward the Fe(d).

Tunable charge donation and spin polarization of metal adsorbates on graphene using an applied electric field

NASA Astrophysics Data System (ADS)

Parq, Jae-Hyeon; Yu, Jaejun; Kwon, Young-Kyun; Kim, Gunn

2010-11-01

Metal atoms on graphene, when ionized, can act as a point-charge impurity to probe a charge response of graphene with the Dirac cone band structure. To understand the microscopic physics of the metal-atom-induced charge and spin polarization in graphene, we present scanning tunneling spectroscopy (STS) simulations based on density-functional theory calculations. We find that a Cs atom on graphene is fully ionized with a significant band-bending feature in the STS whereas the charge and magnetic states of Ba and La atoms on graphene appear to be complicated due to orbital hybridization and Coulomb interaction. By applying external electric field, we observe changes in charge donations and spin magnetic moments of the metal adsorbates on graphene.

Ferroelectric ferrimagnetic LiFe2F6 : Charge-ordering-mediated magnetoelectricity

NASA Astrophysics Data System (ADS)

Lin, Ling-Fang; Xu, Qiao-Ru; Zhang, Yang; Zhang, Jun-Jie; Liang, Yan-Ping; Dong, Shuai

2017-12-01

Trirutile-type LiFe2F6 is a charge-ordered material with an Fe2 +/Fe3 + configuration. Here, its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On one hand, the charge ordering leads to improper ferroelectricity with a large polarization. On the other hand, its magnetic ground state can be tuned from the antiferromagnetic to ferrimagnetic by moderate compressive strain. Thus, LiFe2F6 can be a rare multiferroic with both large magnetization and polarization. Most importantly, since the charge ordering is the common ingredient for both ferroelectricity and magnetization, the net magnetization may be fully switched by flipping the polarization, rendering intrinsically strong magnetoelectric effects and desirable functions.

Fully Depleted Ti-Nb-Ta-Zr-O Nanotubes: Interfacial Charge Dynamics and Solar Hydrogen Production.

PubMed

Chiu, Yi-Hsuan; Lai, Ting-Hsuan; Chen, Chun-Yi; Hsieh, Ping-Yen; Ozasa, Kazunari; Niinomi, Mitsuo; Okada, Kiyoshi; Chang, Tso-Fu Mark; Matsushita, Nobuhiro; Sone, Masato; Hsu, Yung-Jung

2018-05-01

Poor kinetics of hole transportation at the electrode/electrolyte interface is regarded as a primary cause for the mediocre performance of n-type TiO 2 photoelectrodes. By adopting nanotubes as the electrode backbone, light absorption and carrier collection can be spatially decoupled, allowing n-type TiO 2 , with its short hole diffusion length, to maximize the use of the available photoexcited charge carriers during operation in photoelectrochemical (PEC) water splitting. Here, we presented a delicate electrochemical anodization process for the preparation of quaternary Ti-Nb-Ta-Zr-O mixed-oxide (denoted as TNTZO) nanotube arrays and demonstrated their utility in PEC water splitting. The charge-transfer dynamics for the electrodes was investigated using time-resolved photoluminescence, electrochemical impedance spectroscopy, and the decay of open-circuit voltage analysis. Data reveal that the superior photoactivity of TNTZO over pristine TiO 2 originated from the introduction of Nd, Ta, and Zr elements, which enhanced the amount of accessible charge carriers, modified the electronic structure, and improved the hole injection kinetics for expediting water splitting. By modulating the water content of the electrolyte employed in the anodization process, the wall thickness of the grown TNTZO nanotubes can be reduced to a size smaller than that of the depletion layer thickness, realizing a fully depleted state for charge carriers to further advance the PEC performance. Hydrogen evolution tests demonstrate the practical efficacy of TNTZO for realizing solar hydrogen production. Furthermore, with the composition complexity and fully depleted band structure, the present TNTZO nanotube arrays may offer a feasible and universal platform for the loading of other semiconductors to construct a sophisticated heterostructure photoelectrode paradigm, in which the photoexcited charge carriers can be entirely utilized for efficient solar-to-fuel conversion.

22 CFR 128.5 - Answer and demand for oral hearing.

Code of Federal Regulations, 2013 CFR

2013-04-01

... Section 128.5 Foreign Relations DEPARTMENT OF STATE INTERNATIONAL TRAFFIC IN ARMS REGULATIONS... be responsive to the charging letter. It must fully set forth the nature of the respondent's defense or defenses. In the answer, the respondent must admit or deny specifically each separate allegation...

22 CFR 128.5 - Answer and demand for oral hearing.

Code of Federal Regulations, 2011 CFR

2011-04-01

... Section 128.5 Foreign Relations DEPARTMENT OF STATE INTERNATIONAL TRAFFIC IN ARMS REGULATIONS... be responsive to the charging letter. It must fully set forth the nature of the respondent's defense or defenses. In the answer, the respondent must admit or deny specifically each separate allegation...

22 CFR 128.5 - Answer and demand for oral hearing.

Code of Federal Regulations, 2010 CFR

2010-04-01

... Section 128.5 Foreign Relations DEPARTMENT OF STATE INTERNATIONAL TRAFFIC IN ARMS REGULATIONS... be responsive to the charging letter. It must fully set forth the nature of the respondent's defense or defenses. In the answer, the respondent must admit or deny specifically each separate allegation...

22 CFR 128.5 - Answer and demand for oral hearing.

Code of Federal Regulations, 2012 CFR

2012-04-01

... Section 128.5 Foreign Relations DEPARTMENT OF STATE INTERNATIONAL TRAFFIC IN ARMS REGULATIONS... be responsive to the charging letter. It must fully set forth the nature of the respondent's defense or defenses. In the answer, the respondent must admit or deny specifically each separate allegation...

Method and apparatus for indicating electric charge remaining in batteries based on electrode weight and center of gravity

DOEpatents

Rouhani, S. Zia

1996-01-01

In most electrochemical batteries which generate electricity through the reaction of a battery electrode with an electrolyte solution, the chemical composition, and thus the weight and density, of the electrode changes as the battery discharges. The invention measures a parameter of the battery which changes as the weight of the electrode changes as the battery discharges and relates that parameter to the value of the parameter when the battery is fully charged and when the battery is functionally discharged to determine the state-of-charge of the battery at the time the parameter is measured. In one embodiment, the weight of a battery electrode or electrode unit is measured to determine the state-of-charge. In other embodiments, where a battery electrode is located away from the geometrical center of the battery, the position of the center of gravity of the battery or shift in the position of the center of gravity of the battery is measured (the position of the center of gravity changes with the change in weight of the electrode) and indicates the state-of-charge of the battery.

Method and apparatus for indicating electric charge remaining in batteries based on electrode weight and center of gravity

DOEpatents

Rouhani, S.Z.

1996-12-03

In most electrochemical batteries which generate electricity through the reaction of a battery electrode with an electrolyte solution, the chemical composition, and thus the weight and density, of the electrode changes as the battery discharges. The invention measures a parameter of the battery which changes as the weight of the electrode changes as the battery discharges and relates that parameter to the value of the parameter when the battery is fully charged and when the battery is functionally discharged to determine the state-of-charge of the battery at the time the parameter is measured. In one embodiment, the weight of a battery electrode or electrode unit is measured to determine the state-of-charge. In other embodiments, where a battery electrode is located away from the geometrical center of the battery, the position of the center of gravity of the battery or shift in the position of the center of gravity of the battery is measured (the position of the center of gravity changes with the change in weight of the electrode) and indicates the state-of-charge of the battery. 35 figs.

A compact human-powered energy harvesting system

NASA Astrophysics Data System (ADS)

Rao, Yuan; McEachern, Kelly M.; Arnold, David P.

2013-12-01

This paper presents a fully functional, self-sufficient body-worn energy harvesting system for passively capturing energy from human motion, with the long-term vision of supplying power to portable, wearable, or even implanted electronic devices. The system requires no external power supplies and can bootstrap from zero-state-of-charge to generate electrical energy from walking, jogging and cycling; convert the induced ac voltage to a dc voltage; and then boost and regulate the dc voltage to charge a Li-ion-polymer battery. Tested under normal human activities (walking, jogging, cycling) when worn on different parts of the body, the 70 cm3 system is shown to charge a 3.7 V rechargeable battery at charge rates ranging from 33 μW to 234 μW.

Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

DOEpatents

Doeff, Marca M.; Peng, Marcus Y.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard C.

1996-01-01

An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M.sub.x Z.sub.y Mn.sub.(1-y) O.sub.2, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell.

Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

DOEpatents

Doeff, M.M.; Peng, M.Y.; Ma, Y.; Visco, S.J.; DeJonghe, L.C.

1996-09-24

An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M{sub x}Z{sub y}Mn{sub (1{minus}y)}O{sub 2}, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell. 11 figs.

Experiments on the interaction of heavy ions with dense plasma at GSI-Darmstadt

NASA Astrophysics Data System (ADS)

Stöckl, C.; Boine-Frankenheim, O.; Geißel, M.; Roth, M.; Wetzler, H.; Seelig, W.; Iwase, O.; Spiller, P.; Bock, R.; Süß, W.; Hoffmann, D. H. H.

One of the main objectives of the experimental plasma physics activities at the Gesellschaft für Schwerionenforschung (GSI) are the interaction processes of heavy ions with dense ionized matter. Gas-discharge plasma targets were used for energy loss and charge state measurements in a regime of electron density and temperature up to 10 19 cm -3 and 20 eV, respectively. An improved model of the charge exchange processes in fully ionized hydrogen plasma, taking into account multiple excited electronic configurations which subsequently ionize, has removed the discrepancies of previous theoretical descriptions. The energy loss of the ion beam in partially ionized plasmas such as argon was found to agree very well with our simple theoretical model based on the modified Bethe-Bloch theory. A new setup with a 100 J/5 GW Nd-glass laser now provides access to density ranges up to 10 21 cm -3 and temperatures of up to 100 eV. First results of interaction experiments with laser-produced plasma are presented. To fully exploit the experimental possibilities of the new laser-plasma setup both improved charge state detection systems and better plasma diagnostics are indispensable. Present developments and future possibilities in these fields are presented. This paper summarizes the following contributions: Interaction of heavy-ion beams with laser plasma by C. Stöckl et al. Energy Loss of Heavy Ions in a laser-produced plasma by M. Roth et al. Charge state measurements of heavy ions passing a laser produced plasma with high time resolution by W. Süß et al. Plasma diagnostics for laser-produced plasma by O. Iwase et al. Future possibilities of plasma diagnostics at GSI by M. Geißel et al.

Attenuation characteristics of electromagnetic waves in a weak collisional and fully ionized dusty plasma

NASA Astrophysics Data System (ADS)

Dan, Li; Guo, Li-Xin; Li, Jiang-Ting; Chen, Wei; Yan, Xu; Huang, Qing-Qing

2017-09-01

The expression of complex dielectric permittivity for non-magnetized fully ionized dusty plasma is obtained based on the kinetic equation in the Fokker-Planck-Landau collision model and the charging equation of the statistical theory. The influences of density, average size of dust grains, and balanced charging of the charge number of dust particles on the attenuation properties of electromagnetic waves in fully ionized dusty plasma are investigated by calculating the attenuation constant. In addition, the attenuation characteristics of weakly ionized and fully ionized dusty plasmas are compared. Results enriched the physical mechanisms of microwave attenuation for fully ionized dusty plasma and provide a theoretical basis for future studies.

The Relationship Between Islamism and Women in Civil Society: A Look at Turkey and Egypt

DTIC Science & Technology

2015-03-01

Minister Recep Erdogan have successfully led the charge to partially change the laws. Although unsuccessful in 2007, in November 113 “Turkey 2002...Prime Minister Erdogan stated that the ban had prevented the women who wore it from being fully engaged in Turkish society.123 Although secularists

Ab initio studies of isolated hydrogen vacancies in graphane

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Chetty, N.

2016-05-01

We present a density functional study of various hydrogen vacancies located on a single hexagonal ring of graphane (fully hydrogenated graphene) considering the effects of charge states and the position of the Fermi level. We find that uncharged vacancies that lead to a carbon sublattice balance are energetically favorable and are wide band gap systems just like pristine graphane. Vacancies that do create a sublattice imbalance introduce spin polarized states into the band gap, and exhibit a half-metallic behavior with a magnetic moment of 1.00 μB per vacancy. The results show the possibility of using vacancies in graphane for novel spin-based applications. When charging such vacancy configurations, the deep donor (+1/0) and deep acceptor (0/-1) transition levels within the band gap are noted. We also note a half-metallic to metallic transition and a significant reduction of the induced magnetic moment due to both negative and positive charge doping.

Command Surface of Self-Organizing Structures by Radical Polymers with Cooperative Redox Reactivity.

PubMed

Sato, Kan; Mizuma, Takahiro; Nishide, Hiroyuki; Oyaizu, Kenichi

2017-10-04

Robust radical-substituted polymers with ideal redox capability were used as "command surfaces" for liquid crystal orientation. The alignment of the smectic liquid crystal electrolytes with low-dimensional ion conduction pathways was reversible and readily switched in response to the redox states of the polymers. In one example, a charge storage device with a cooperative redox effect was fabricated. The bulk ionic conductivity of the cell was significantly decreased only after the electrode was fully charged, due to the anisotropic ionic conductivity of the electrolytes (ratio >10 3 ). The switching enabled both a rapid cell response and long charge retention. Such a cooperative command surface of self-assembled structures will give rise to new highly energy efficient supramolecular-based devices including batteries, charge carriers, and actuators.

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

Voltage Drop in a Ferroelectric Single Layer Capacitor by Retarded Domain Nucleation.

PubMed

Kim, Yu Jin; Park, Hyeon Woo; Hyun, Seung Dam; Kim, Han Joon; Kim, Keum Do; Lee, Young Hwan; Moon, Taehwan; Lee, Yong Bin; Park, Min Hyuk; Hwang, Cheol Seong

2017-12-13

Ferroelectric (FE) capacitor is a critical electric component in microelectronic devices. Among many of its intriguing properties, the recent finding of voltage drop (V-drop) across the FE capacitor while the positive charges flow in is especially eye-catching. This finding was claimed to be direct evidence that the FE capacitor is in negative capacitance (NC) state, which must be useful for (infinitely) high capacitance and ultralow voltage operation of field-effect transistors. Nonetheless, the NC state corresponds to the maximum energy state of the FE material, so it has been widely accepted in the community that the material alleviates that state by forming ferroelectric domains. This work reports a similar V-drop effect from the 150 nm thick epitaxial BaTiO 3 ferroelectric thin film, but the interpretation was completely disparate; the V-drop can be precisely simulated by the reverse domain nucleation and propagation of which charge effect cannot be fully compensated for by the supplied charge from the external charge source. The disappearance of the V-drop effect was also observed by repeated FE switching only up to 10 cycles, which can hardly be explained by the involvement of the NC effect. The retained reverse domain nuclei even after the subsequent poling can explain such behavior.

Tight-binding molecular-dynamics study of point defects in GaAs

NASA Astrophysics Data System (ADS)

Seong, Hyangsuk; Lewis, Laurent J.

1995-08-01

Tight-binding molecular-dynamics simulations at 0 K have been performed in order to study the effect of defects (vacancies and antisites) in different states of charge on the electronic and structural properties of GaAs. Relaxations are fully included in the model, and for each defect we calculate the local atomic structure, the volume change upon relaxing, the formation energy (including chemical potential contributions), and the ionization levels. We find Ga vacancies to relax by an amount which is independent of the state of charge, consistent with positron lifetime measurements. Our calculations also predict Ga vacancies to exhibit a negative-U effect, and to assume a triply negative charge state for most values of the electron chemical potential. The relaxation of As vacancies, on the contrary, depends sensitively on the state of charge. The model confirms the two experimentally observed ionization levels for this defect, just below the conduction-band minimum. Likewise, Ga antisites exhibit large relaxations. In fact, in the neutral state, relaxation is so large that it leads to a ``broken-bond'' configuration, in excellent accord with the first-principles calculations of Zhang and Chadi [Phys. Rev. Lett. 64, 1789 (1990)]. This system also exhibits a negative-U effect, for values of the electron chemical potential near midgap. For As antisites, we find only a weak relaxation, independent of the charge. The model predicts the neutral state of the defect to be the ground state for values of the electron chemical potential near and above midgap, which supports the view that the EL2 defect is a neutral As antisite. Upon comparing the formation energies of the various defects we finally find that, for all values of the atomic chemical potentials, antisites are most likely to occur than vacancies.

Study on radiation production in the charge stripping section of the RISP linear accelerator

NASA Astrophysics Data System (ADS)

Oh, Joo-Hee; Oranj, Leila Mokhtari; Lee, Hee-Seock; Ko, Seung-Kook

2015-02-01

The linear accelerator of the Rare Isotope Science Project (RISP) accelerates 200 MeV/nucleon 238U ions in a multi-charge states. Many kinds of radiations are generated while the primary beam is transported along the beam line. The stripping process using thin carbon foil leads to complicated radiation environments at the 90-degree bending section. The charge distribution of 238U ions after the carbon charge stripper was calculated by using the LISE++ program. The estimates of the radiation environments were carried out by using the well-proved Monte Carlo codes PHITS and FLUKA. The tracks of 238U ions in various charge states were identified using the magnetic field subroutine of the PHITS code. The dose distribution caused by U beam losses for those tracks was obtained over the accelerator tunnel. A modified calculation was applied for tracking the multi-charged U beams because the fundamental idea of PHITS and FLUKA was to transport fully-ionized ion beam. In this study, the beam loss pattern after a stripping section was observed, and the radiation production by heavy ions was studied. Finally, the performance of the PHITS and the FLUKA codes was validated for estimating the radiation production at the stripping section by applying a modified method.

Helical quantum states in HgTe quantum dots with inverted band structures.

PubMed

Chang, Kai; Lou, Wen-Kai

2011-05-20

We investigate theoretically the electron states in HgTe quantum dots (QDs) with inverted band structures. In sharp contrast to conventional semiconductor quantum dots, the quantum states in the gap of the HgTe QD are fully spin-polarized and show ringlike density distributions near the boundary of the QD and spin-angular momentum locking. The persistent charge currents and magnetic moments, i.e., the Aharonov-Bohm effect, can be observed in such a QD structure. This feature offers us a practical way to detect these exotic ringlike edge states by using the SQUID technique.

Homogeneous-oxide stack in IGZO thin-film transistors for multi-level-cell NAND memory application

NASA Astrophysics Data System (ADS)

Ji, Hao; Wei, Yehui; Zhang, Xinlei; Jiang, Ran

2017-11-01

A nonvolatile charge-trap-flash memory that is based on amorphous indium-gallium-zinc-oxide thin film transistors was fabricated with a homogeneous-oxide structure for a multi-level-cell application. All oxide layers, i.e., tunneling layer, charge trapping layer, and blocking layer, were fabricated with Al2O3 films. The fabrication condition (including temperature and deposition method) of the charge trapping layer was different from those of the other oxide layers. This device demonstrated a considerable large memory window of 4 V between the states fully erased and programmed with the operation voltage less than 14 V. This kind of device shows a good prospect for multi-level-cell memory applications.

Measurement of the electric charge of the top quark in t t ¯ events

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

Abazov, V. M.; Abbott, B.; Acharya, B. S.

2014-09-01

We present a measurement of the electric charge of top quarks usingmore » $$t\\bar{t}$$ events produced in $$p\\bar{p}$$ collisions at the Tevatron. The analysis is based on fully reconstructed $$t\\bar{t}$$ pairs in lepton+jets final states. Using data corresponding to 5.3 $$\\rm fb^{-1}$$ of integrated luminosity, we exclude the hypothesis that the top quark has a charge of $$Q=-4/3\\,e$$ at a significance greater than 5 standard deviations. We also place an upper limit of 0.46 on the fraction of such quarks that can be present in an admixture with the standard model top quarks ($$Q=+2/3\\,e$$) at a 95\\% confidence level.« less

Electron mobility in the inversion layers of fully depleted SOI films

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

Zaitseva, E. G., E-mail: ZaytsevaElza@yandex.ru; Naumova, O. V.; Fomin, B. I.

The dependences of the electron mobility μ{sub eff} in the inversion layers of fully depleted double–gate silicon-on-insulator (SOI) metal–oxide–semiconductor (MOS) transistors on the density N{sub e} of induced charge carriers and temperature T are investigated at different states of the SOI film (inversion–accumulation) from the side of one of the gates. It is shown that at a high density of induced charge carriers of N{sub e} > 6 × 10{sup 12} cm{sup –2} the μeff(T) dependences allow the components of mobility μ{sub eff} that are related to scattering at surface phonons and from the film/insulator surface roughness to be distinguished.more » The μ{sub eff}(N{sub e}) dependences can be approximated by the power functions μ{sub eff}(N{sub e}) ∝ N{sub e}{sup −n}. The exponents n in the dependences and the dominant mechanisms of scattering of electrons induced near the interface between the SOI film and buried oxide are determined for different N{sub e} ranges and film states from the surface side.« less

Beam halo collimation in heavy ion synchrotrons

NASA Astrophysics Data System (ADS)

Strašík, I.; Prokhorov, I.; Boine-Frankenheim, O.

2015-08-01

This paper presents a systematic study of the halo collimation of ion beams from proton up to uranium in synchrotrons. The projected Facility for Antiproton and Ion Research synchrotron SIS100 is used as a reference case. The concepts are separated into fully stripped (e.g., 238U92+ ) and partially stripped (e.g., 238U28+ ) ion collimation. An application of the two-stage betatron collimation system, well established for proton accelerators, is intended also for fully stripped ions. The two-stage system consists of a primary collimator (a scattering foil) and secondary collimators (bulky absorbers). Interaction of the particles with the primary collimator (scattering, momentum losses, and nuclear interactions) was simulated by using fluka. Particle-tracking simulations were performed by using mad-x. Finally, the dependence of the collimation efficiency on the primary ion species was determined. The influence of the collimation system adjustment, lattice imperfections, and beam parameters was estimated. The concept for the collimation of partially stripped ions employs a thin stripping foil in order to change their charge state. These ions are subsequently deflected towards a dump location using a beam optical element. The charge state distribution after the stripping foil was obtained from global. The ions were tracked by using mad-x.

Manipulating topological states by imprinting non-collinear spin textures

DOE PAGES

Streubel, Robert; Han, Luyang; Im, Mi -Young; ...

2015-03-05

Topological magnetic states, such as chiral skyrmions, are of great scientific interest and show huge potential for novel spintronics applications, provided their topological charges can be fully controlled. So far skyrmionic textures have been observed in noncentrosymmetric crystalline materials with low symmetry and at low temperatures. We propose theoretically and demonstrate experimentally the design of spin textures with topological charge densities that can be tailored at ambient temperatures. Tuning the interlayer coupling in vertically stacked nanopatterned magnetic heterostructures, such as a model system of a Co/Pd multilayer coupled to Permalloy, the in-plane non-collinear spin texture of one layer can bemore » imprinted into the out-of-plane magnetised material. We observe distinct spin textures, e.g. vortices, magnetic swirls with tunable opening angle, donut states and skyrmion core configurations. We show that applying a small magnetic field, a reliable switching between topologically distinct textures can be achieved at remanence« less

Cd in SnO: Probing structural effects on the electronic structure of doped oxide semiconductors through the electric field gradient at the Cd nucleus

NASA Astrophysics Data System (ADS)

Errico, Leonardo A.; Rentería, Mario; Petrilli, Helena M.

2007-04-01

We perform an ab initio study of the electric field gradient (EFG) at the nucleus of Cd impurities at substitutional Sn sites in crystalline SnO. The full-potential linearized-augmented plane wave and the projector augmented wave methods used here allow us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host in a fully self-consistent way using a supercell approach in a state-of-the-art way. Effects of the impurity charge state on the electronic and structural properties are also discussed. Since the EFG is a very subtle quantity, its determination is very useful to probe ground-state properties such as the charge density. We show that the EFG is very sensitive to structural relaxations induced by the impurity. Our theoretical predictions are compared with available experimental results.

Molecular sensing using monolayer floating gate, fully depleted SOI MOSFET acting as an exponential transducer.

PubMed

Takulapalli, Bharath R

2010-02-23

Field-effect transistor-based chemical sensors fall into two broad categories based on the principle of signal transduction-chemiresistor or Schottky-type devices and MOSFET or inversion-type devices. In this paper, we report a new inversion-type device concept-fully depleted exponentially coupled (FDEC) sensor, using molecular monolayer floating gate fully depleted silicon on insulator (SOI) MOSFET. Molecular binding at the chemical-sensitive surface lowers the threshold voltage of the device inversion channel due to a unique capacitive charge-coupling mechanism involving interface defect states, causing an exponential increase in the inversion channel current. This response of the device is in opposite direction when compared to typical MOSFET-type sensors, wherein inversion current decreases in a conventional n-channel sensor device upon addition of negative charge to the chemical-sensitive device surface. The new sensor architecture enables ultrahigh sensitivity along with extraordinary selectivity. We propose the new sensor concept with the aid of analytical equations and present results from our experiments in liquid phase and gas phase to demonstrate the new principle of signal transduction. We present data from numerical simulations to further support our theory.

Radiative loss and charge exchange in low energy Na - Ca+ collisions

NASA Astrophysics Data System (ADS)

McLaughlin, B. M.; McAlpine, K.; McCann, J. F.; Pattillo, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.

2016-05-01

Experiments on radiative loss and capture are currently being performed at the University of Connecticut. In response to this experimental effort we have performed detailed calculations for a variety of loss and capture processes. Several low lying states of the NaCa+ cation are used with the accurate potentials energy curves, transition dipole moments and non-adiabatic coupling matrix elements between the states, obtained at the MRCI+Q level of approximation with the MOLPRO suite of quantum chemistry codes. Cross sections and rate coefficients are calculated for radiative charge transfer (RCX), radiative association (RA) and charge exchange in a fully quantum molecular close-coupling (MOCC) approximation at the higher energies. We use a variety of approaches, the optical potential method, semi-classical and MOCC methods to compare and contrast approximations. In addition a kinetic theory recently applied to SiO is utilized which illustrates the dramatic impact resonances have on the radiative association rates. Supported by NASA and HLRS at Stuttgart University.

Charging system and method for multicell storage batteries

DOEpatents

Cox, Jay A.

1978-01-01

A battery-charging system includes a first charging circuit connected in series with a plurality of battery cells for controlled current charging. A second charging circuit applies a controlled voltage across each individual cell for equalization of the cells to the fully charged condition. This controlled voltage is determined at a level above the fully charged open-circuit voltage but at a sufficiently low level to prevent corrosion of cell components by electrochemical reaction. In this second circuit for cell equalization, a transformer primary receives closely regulated, square-wave voltage which is coupled to a plurality of equal secondary coil windings. Each secondary winding is connected in parallel to each cell of a series-connected pair of cells through half-wave rectifiers and a shared, intermediate conductor.

Synthesis and Exciton Dynamics of Donor-Orthogonal Acceptor Conjugated Polymers: Reducing the Singlet-Triplet Energy Gap.

PubMed

Freeman, David M E; Musser, Andrew J; Frost, Jarvist M; Stern, Hannah L; Forster, Alexander K; Fallon, Kealan J; Rapidis, Alexandros G; Cacialli, Franco; McCulloch, Iain; Clarke, Tracey M; Friend, Richard H; Bronstein, Hugo

2017-08-16

The presence of energetically low-lying triplet states is a hallmark of organic semiconductors. Even though they present a wealth of interesting photophysical properties, these optically dark states significantly limit optoelectronic device performance. Recent advances in emissive charge-transfer molecules have pioneered routes to reduce the energy gap between triplets and "bright" singlets, allowing thermal population exchange between them and eliminating a significant loss channel in devices. In conjugated polymers, this gap has proved resistant to modification. Here, we introduce a general approach to reduce the singlet-triplet energy gap in fully conjugated polymers, using a donor-orthogonal acceptor motif to spatially separate electron and hole wave functions. This new generation of conjugated polymers allows for a greatly reduced exchange energy, enhancing triplet formation and enabling thermally activated delayed fluorescence. We find that the mechanisms of both processes are driven by excited-state mixing between π-π*and charge-transfer states, affording new insight into reverse intersystem crossing.

Microfluidic circuit analysis II: implications of ion conservation for microchannels connected in series.

PubMed

Biscombe, Christian J C; Davidson, Malcolm R; Harvie, Dalton J E

2012-01-01

A mathematical framework for analysing electrokinetic flow in microchannel networks is outlined. The model is based on conservation of volume and total charge at network junctions, but in contrast to earlier theories also incorporates conservation of ion charge there. The model is applied to mixed pressure-driven/electro-osmotic flows of binary electrolytes through homogeneous microchannels as well as a 4:1:4 contraction-expansion series network. Under conditions of specified volumetric flow rate and ion currents, non-linear steady-state phenomena may arise: when the direction of the net co-ion flux is opposite to the direction of the net volumetric flow, two different fully developed, steady-state flow solutions may be obtained. Model predictions are compared with two-dimensional computational fluid dynamics (CFD) simulations. For systems where two steady states are realisable, the ultimate steady behaviour is shown to depend in part upon the initial state of the system. Copyright © 2011 Elsevier Inc. All rights reserved.

Ab initio scanning tunneling spectroscopy simulation of graphene with metal adatoms: weak and strong coupling regimes

NASA Astrophysics Data System (ADS)

Kim, Gunn; Parq, Jae-Hyeon; Yu, Jaejun; Kwon, Young-Kyun; Kyung Hee University Collaboration; Seoul National University Collaboration

2011-03-01

Metal atoms on graphene, when ionized, can act as a point-charge impurity to probe a charge response of graphene with the Dirac cone band structure. To understand charge and spin polarization in graphene, we present scanning tunneling spectroscopy STS simulations based on density-functional theory calculations. We find that a Cs atom on graphene is fully ionized with a significant band-bending feature in the STS whereas the charge and magnetic states of Ba and La atoms on graphene appear to be complicated due to orbital hybridization and Coulomb interaction. By applying external electric field, we observe changes in charge donations and spin magnetic moments of the metal adsorbates on graphene. This work was supported by the National Research Foundation of Korea through the ARP (Grant No. R17-2008-033- 01000-0) (J.Y.) and the Basic Science Research Program through the NRF of Korea (Grant No. 2010-0007805) (G.K.).

Ni-MH battery charger with a compensator for electric vehicles

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

Park, H.W.; Han, C.S.; Kim, C.S.

1996-09-01

The development of a high-performance battery and safe and reliable charging methods are two important factors for commercialization of the Electric Vehicles (EV). Hyundai and Ovonic together spent many years in the research on optimum charging method for Ni-MH battery. This paper presents in detail the results of intensive experimental analysis, performed by Hyundai in collaboration with Ovonic. An on-board Ni-MH battery charger and its controller which are designed to use as a standard home electricity supply are described. In addition, a 3 step constant current recharger with the temperature and the battery aging compensator is proposed. This has amore » multi-loop algorithm function to detect its 80% and fully charged state, and carry out equalization charging control. The algorithm is focused on safety, reliability, efficiency, charging speed and thermal management (maintaining uniform temperatures within a battery pack). It is also designed to minimize the necessity for user input.« less

Comparison of $$\

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

Adams, C.; et al.

We measure a large set of observables in inclusive charged current muon neutrino scattering on argon with the MicroBooNE liquid argon time projection chamber operating at Fermilab. We evaluate three neutrino interaction models based on the widely used GENIE event generator using these observables. The measurement uses a data set consisting of neutrino interactions with a final state muon candidate fully contained within the MicroBooNE detector. These data were collected in 2016 with the Fermilab Booster Neutrino Beam, which has an average neutrino energy of 800 MeV, using an exposure corresponding to 5e19 protons-on-target. The analysis employs fully automatic eventmore » selection and charged particle track reconstruction and uses a data-driven technique to separate neutrino interactions from cosmic ray background events. We find that GENIE models consistently describe the shapes of a large number of kinematic distributions for fixed observed multiplicity, but we show an indication that the observed multiplicity fractions deviate from GENIE expectations.« less

Tests of neutrino interaction models with the MicroBooNE detector

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

Rafique, Aleena

2018-01-01

I measure a large set of observables in inclusive charged current muon neutrino scattering on argon with the MicroBooNE liquid argon time projection chamber operating at Fermilab. I evaluate three neutrino interaction models based on the widely used GENIE event generator using these observables. The measurement uses a data set consisting of neutrino interactions with a final state muon candidate fully contained within the MicroBooNE detector. These data were collected in 2016 with the Fermilab Booster Neutrino Beam, which has an average neutrino energy ofmore » $800$ MeV, using an exposure corresponding to $$5.0\\times10^{19}$$ protons-on-target. The analysis employs fully automatic event selection and charged particle track reconstruction and uses a data-driven technique to separate neutrino interactions from cosmic ray background events. I find that GENIE models consistently describe the shapes of a large number of kinematic distributions for fixed observed multiplicity, but I show an indication that the observed multiplicity fractions deviate from GENIE expectations.« less

Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy

PubMed Central

Ferretti, Marco; Hendrikx, Ruud; Romero, Elisabet; Southall, June; Cogdell, Richard J.; Novoderezhkin, Vladimir I.; Scholes, Gregory D.; van Grondelle, Rienk

2016-01-01

Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines the selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. We suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy. PMID:26857477

Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy

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

Ferretti, Marco; Hendrikx, Ruud; Romero, Elisabet

Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines themore » selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. In conclusion, we suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy.« less

Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy

DOE PAGES

Ferretti, Marco; Hendrikx, Ruud; Romero, Elisabet; ...

2016-02-09

Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines themore » selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. In conclusion, we suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy.« less

Applicability of post-ionization theory to laser-assisted field evaporation of magnetite

DOE PAGES

Schreiber, Daniel K.; Chiaramonti, Ann N.; Gordon, Lyle M.; ...

2014-12-15

Analysis of the mean Fe ion charge state from laser-assisted field evaporation of magnetite (Fe3O4) reveals unexpected trends as a function of laser pulse energy that break from conventional post-ionization theory for metals. For Fe ions evaporated from magnetite, the effects of post-ionization are partially offset by the increased prevalence of direct evaporation into higher charge states with increasing laser pulse energy. Therefore the final charge state is related to both the field strength and the laser pulse energy, despite those variables themselves being intertwined when analyzing at a constant detection rate. Comparison of data collected at different base temperaturesmore » also show that the increased prevalence of Fe2+ at higher laser energies is possibly not a direct thermal effect. Conversely, the ratio of 16O+:16O2+ is well-correlated with field strength and unaffected by laser pulse energy on its own, making it a better overall indicator of the field evaporation conditions than the mean Fe charge state. Plotting the normalized field strength versus laser pulse energy also elucidates a non-linear dependence, in agreement with previous observations on semiconductors, that suggests a field-dependent laser absorption efficiency. Together these observations demonstrate that the field evaporation process for laser-pulsed oxides exhibits fundamental differences from metallic specimens that cannot be completely explained by post-ionization theory. Further theoretical studies, combined with detailed analytical observations, are required to understand fully the field evaporation process of non-metallic samples.« less

Are Soft Short Tests Good Indicators of Internal Li-ion Cell Defects?

NASA Technical Reports Server (NTRS)

Jeevarajan, J.; Chung, J.-S.; Jung, K.; Park, J.

2013-01-01

The self discharge test at full state of charge, may not be a good one to detect subtle defects since the li-ion chemistry has the highest self discharge at full state of charge. One should characterize self discharge versus storage time for each cell manufacturer/design to differentiate between normal self discharge and that due to a subtle manufacturing defect. The various soft short test methods indicate that if this test is carried out at full discharge (0% SOC) with all capacity removed (by lowering the current load in a stepwise manner to the same end of discharge voltage), then the cells need to be placed in storage for more than 72 hours to get a good analysis on the presence of subtle defects since it takes more than 72 hours to achieve voltage stabilization. If the cells are to be charged up even to a small percentage (ex. 1%), 72 hours are sufficient to determine issues. However, the pass/fail criteria should be based on a valid OCV decline. Less than 10 mV voltage decline is not a good method to detect subtle defects. As mentioned in the first bullet, self discharge is a competing reaction when a charge is introduced and hence a characterization of the self discharge versus storage time is required to fully correlate voltage decline to a failure due to a subtle defect. Soft short test method cannot be relied on for defect detection because cells with and without voltage decline seemed to have similar defects and characteristics. Screening methods such as internal resistance and capacity as well as a 3-sigma range for OCV, mass and dimensions should be used to screen out outliers. A very critical aspect in the understanding of subtle defects is to carry out destructive analysis of cells from every lot to confirm the quality of production and screen all cells and batteries in a stringent manner to have a high quality set of flight cells. Self Discharge Test: Fully charged cells shall be placed in Open circuit stand for 72 hours (OCV measurement twice a day); continue for total of 14 days with 1 reading per day 2. Soft Short Test 1: Fully charge; cells discharged to manufacturer's end of disch. Voltage (EODV) cutoff at C/5 rate; stand for 30 minutes; discharge with C/500 to the same EODV. stand for another 30 minutes; discharge the cells again using C/1000 current to the same EODV. OCV measurements twice a day for 72 hours and then for total of 14 days (data collection same as in 1.) 3. Soft Short Test 2: Fully charge; cells discharged to the manuf. EODV with a C/13 constant current; provide a 10 hour rest, discharge again to the same EODV with a current of C/250, provide a 10 hour rest, discharge again using a C/250 rate, provide a 24 hour rest, charge using C/250 to 3.15 V (for 12 hours). OCV measurements twice a day for at 72 hours. (data collection same as in 1.) 4. Soft Short Test 3: Fully charge; cells shall be discharged using C/10 current to manuf. EODV. Allow the cell to remain at Open circuit for 10 seconds. Discharge the cell at C/20 rate to the same EODV, hold open circuit for 24 hours. Discharge the cells at C/200 rate to the same end of voltage cutoff and hold open circuit for 24 hours. Discharge the cells one more time at C/200 rate to the same EODV and hold open circuit for 36 hours. Charge at C/200 rate to 3.15 V and hold for 3 days. Record OCV during the open circuit stand periods every 12 hours and at the beginning and end of the 3 day hold (include the 12 hour OCV recording during this time also). Capacity Cycling: Cells with declining voltages - one cell from each manufacturer chosen for cycling Destructive Physical Analysis (DPA): Cells with and without decline chosen from each lot for DPA.

A Battery Charger and State of Charge Indicator

NASA Technical Reports Server (NTRS)

Latos, T. S.

1984-01-01

A battery charger which has a full wave rectifier in series with a transformer isolated 20 kHz dc-dc converter with high frequency switches, which are programmed to actively shape the input dc line current to be a mirror image of the ac line voltage is discussed. The power circuit operates at 2 kW peak and 1 kW average power. The BC/SCI has two major subsystems: (1) the battery charger power electronics with its controls; and (2) a microcomputer subsystem which is used to acquire battery terminal data and exercise the state of charge software programs. The state of charge definition employed is the energy remaining in the battery when extracted at a 10 kW rate divided by the energy capacity of a fully charged new battery. The battery charger circuit is an isolated boost converter operating at an internal frequency of 20 kHz. The switches selected for the battery charger are the single most important item in determining its efficiency. The combination of voltage and current requirements dictate the use of high power NPN Darlington switching transistors. The power circuit topology is a three switch design which utilizes a power FET on the center tap of the isolation transformer and the power Darlingtons on each of the two ends. An analog control system is employed to accomplish active input current waveshaping as well as the necessary regulation.

Piezoelectric-based hybrid reserve power sources for munitions

NASA Astrophysics Data System (ADS)

Rastegar, J.; Kwok, P.

2017-04-01

Reserve power sources are used extensively in munitions and other devices, such as emergency devices or remote sensors that need to be powered only once and for a relatively short duration. Current chemical reserve power sources, including thermal batteries and liquid reserve batteries sometimes require more than 100 msec to become fully activated. In many applications, however, electrical energy is required in a few msec following the launch event. In such applications, other power sources are needed to provide power until the reserve battery is fully activated. The amount of electrical energy that is required by most munitions before chemical reserve batteries are fully activated is generally small and can be provided by properly designed piezoelectric-based energy harvesting devices. In this paper, the development of a hybrid reserve power source that is constructed by integration of a piezoelectric-based energy harvesting device with a reserve battery to provide power almost instantaneously upon munitions firing or other similar events is being reported. A review of the state of the art in piezoelectric-based electrical energy harvesting methods and devices and their charge collection electronics for use in the developed hybrid power sources is provided together with the results of testing of the piezoelectric component of the power source and its electronic safety and charge collection electronics.

Results from the Heavy Ions In Space (HIIS) experiment on the ionic charge state of solar energetic particles

NASA Technical Reports Server (NTRS)

Tylka, Allan J.; Boberg, Paul R.; Adams, James H., Jr.; Beahm, Lorraine P.; Kleis, Thomas

1995-01-01

It has long been known that low-energy solar energetic particles (SEP's) are partially-ionized. For example, in large, so-called 'gradual' solar energetic particle events, at approximately 1 MeV/nucleon the measured mean ionic charge state, Q, of Fe ions is 14.1 +/- 0.2, corresponding to a plasma temperature of approximately 2 MK in the coronal or solar-wind source material. Recent studies, which have greatly clarified the origin of solar energetic particles and their relation to solar flares, suggest that ions in these SEP events are accelerated not at a flare site, but by shocks propagating through relatively low-density regions in the interplanetary medium. As a result, the partially-ionized states observed at low energies are expected to continue to higher energies. However, up to now there have been no high-energy measurements of ionic charge states to confirm this notion. We report here HIIS observations of Fe-group ions at 50-600 MeV/nucleon, at energies and fluences which cannot be explained by fully-ionized galactic cosmic rays, even in the presence of severe geomagnetic cutoff suppression. Above approximately 200 MeV/nucleon, all features of our data -- fluence, energy spectrum, elemental composition, and arrival directions -- can be explained by the large SEP events of October 1989, provided that the mean ionic charge state at these high energies is comparable to the measured value at approximately 1 MeV/nucleon. By comparing the HIIS observations with measurements in interplanetary space in October 1989, we determine the mean ionic charge state of SEP Fe ions at approximately 200-600 MeV/nucleon to be Q = 13.4 plus or minus 1.0, in good agreement with the observed value at approximately 1 MeV/nucleon. The source of the ions below approximately 200 MeV/nucleon is not yet clear. Partially-ionized ions are less effectively deflected by the Earth's magnetic field than fully-ionized cosmic rays and therefore have greatly enhanced access to low-Earth orbit. Moreover, at the high energies observed in HIIS, these ions can penetrate typical amounts of shielding. We discuss the significance of the HIIS results for estimates of the radiation hazard posed by large SEP events to satellites in low-Earth orbit, including the proposed Space Station orbit. Finally, we comment on previous reports of low-energy below-cutoff Fe-group ions, which some authors have interpreted as evidence for partially-ionized galactic cosmic rays. The LDEF flux levels are much smaller than the corresponding fluxes in these previous reports, implying that the source of these ions has an unusual solar-cycle variation and/or strongly increases with decreasing altitude.

Electron capture to the continuum manifestation in fully differential cross sections for ion impact single ionization

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Fojón, O. A.; Rivarola, R. D.

2018-04-01

We present theoretical calculations of single ionization of He atoms by protons and multiply charged ions. The kinematical conditions are deliberately chosen in such a way that the ejected electron velocity matches the projectile impact velocity. The computed fully differential cross sections (FDCS) in the scattering plane using the continuum-distorted wave-eikonal initial state show a distinct peaked structure for a polar electron emission angle θ k = 0°. This element is absent when a first order theory is employed. Consequently, we can argue that this peak is a clear manifestation of a three-body effect, not observed before in FDCS. We discuss a possible interpretation of this new feature.

Effects of functional groups and ionization on the structure of alkanethiol coated gold nanoparticles

NASA Astrophysics Data System (ADS)

Bolintineanu, Dan S.; Lane, J. Matthew D.; Grest, Gary S.

2013-03-01

We report fully atomistic molecular dynamics simulations of alkanethiol coated gold nanoparticles solvated in water and decane. The structure of the coatings is analyzed as a function of various functional end groups, including amine and carboxyl groups in different neutralization states. We study the effects of charge in the end groups for two different chain lengths (10 and 18 carbons) and different counterions (mono- and divalent). For the longer alkanes we find significant local phase segregation of chains on the nanoparticle surface, which results in highly asymmetric coating structures. In general, the charged end groups attenuate this effect by enhancing the water solubility of the nanoparticles. Based on the coating structures and density profiles, we can qualitatively infer the overall solubility of the nanoparticles. The asymmetry in the alkanethiol coatings is also likely to have a significant effect on aggregation behavior. More importantly, our simulations suggest the ability to modulate end group charge states (e.g. by changing the pH of the solution) in order to control coating structure, and therefore control solubility and aggregation behavior.

Condensation of collective charge ordering in chromium

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

Singer, A.; Marsh, M. J.; Dietze, S. H.

2015-03-01

We report on the dynamics of the structural order parameter in a chromium film using synchrotron radiation in response to photoinduced ultrafast excitations. Following transient optical excitations the effective lattice temperature of the film rises close to the Neel temperature and the charge-density wave (CDW) amplitude is reduced but does not appear to ever be fully destroyed. The persistence of the CDW diffraction signal demonstrates that the CDW, if destroyed by the laser pulse, must be reestablished within the 100-ps time resolution of the synchrotron x-ray pulses. Furthermore, at all times after photoexcitation, the CDW retains its low-temperature periodicity, rathermore » than regenerating with its high-temperature period shortly after photoexcitation. The long-term evolution shows that the CDW reverts to its ground state on a time scale of 370 +/- 40 ps. We attribute the apparent persistence of the CDW to the long-lived periodic lattice displacement in chromium. This study highlights the fundamental role of the lattice distortion and its impact on the recondensation dynamics of the charge ordered state in strongly correlated materials.« less

3D Localized Trions in Monolayer WSe2 in a Charge Tunable van der Waals Heterostructure.

PubMed

Chakraborty, Chitraleema; Qiu, Liangyu; Konthasinghe, Kumarasiri; Mukherjee, Arunabh; Dhara, Sajal; Vamivakas, Nick

2018-05-09

Monolayer transition metal dichalcogenides (TMDCs) have recently emerged as a host material for localized optically active quantum emitters that generate single photons. (1-5) Here, we investigate fully localized excitons and trions from such TMDC quantum emitters embedded in a van der Waals heterostructure. We use direct electrostatic doping through the vertical heterostructure device assembly to generate quantum confined trions. Distinct spectral jumps as a function of applied voltage bias, and excitation power-dependent charging, demonstrate the observation of the two different excitonic complexes. We also observe a reduction of the intervalley electron-hole exchange interaction in the confined trion due to the addition of an extra electron, which is manifested by a decrease in its fine structure splitting. We further confirm this decrease of exchange interaction for the case of the charged states by a comparative study of the circular polarization resolved photoluminescence from individual excitonic states. The valley polarization selection rules inherited by the localized trions will provide a pathway toward realizing a localized spin-valley-photon interface.

On the Oxidation State of Manganese Ions in Li-Ion Battery Electrolyte Solutions.

PubMed

Banerjee, Anjan; Shilina, Yuliya; Ziv, Baruch; Ziegelbauer, Joseph M; Luski, Shalom; Aurbach, Doron; Halalay, Ion C

2017-02-08

We demonstrate herein that Mn 3+ and not Mn 2+ , as commonly accepted, is the dominant dissolved manganese cation in LiPF 6 -based electrolyte solutions of Li-ion batteries with lithium manganate spinel positive and graphite negative electrodes chemistry. The Mn 3+ fractions in solution, derived from a combined analysis of electron paramagnetic resonance and inductively coupled plasma spectroscopy data, are ∼80% for either fully discharged (3.0 V hold) or fully charged (4.2 V hold) cells, and ∼60% for galvanostatically cycled cells. These findings agree with the average oxidation state of dissolved Mn ions determined from X-ray absorption near-edge spectroscopy data, as verified through a speciation diagram analysis. We also show that the fractions of Mn 3+ in the aprotic nonaqueous electrolyte solution are constant over the duration of our experiments and that disproportionation of Mn 3+ occurs at a very slow rate.

Facile fabrication of all-solid-state SnO2/NiCo2O4 biosensor for self-powered glucose detection

NASA Astrophysics Data System (ADS)

Cai, Bin; Mao, Weiwei; Ye, Zhizhen; Huang, Jingyun

2016-09-01

With increasing attention on daily diabetes management, we develop an all-solid-state self-powered glucose biosensor, with simultaneous solar energy conversion, electrochemical energy storage and glucose sensing. The SnO2 nanosheet arrays are used to obtain photogenerated electron-hole pairs, and rhombus-shaped NiCo2O4 nanorod arrays are developed for solar energy storage. A stable open circuit voltage ~0.58 V is obtained after being fully charged, which is a suitable voltage for the oxidation of glucose. The biosensor can work under two different modes without any external bias voltage, and both show large linear range and excellent selectivity. Under the sunlight, photocurrent shows a sensitive decrease upon different glucose additions. Meanwhile, in the dark condition, the open circuit voltage of the charged biosensor also exhibits a corresponding response to glucose.

Evidences For Charge Transfer-Induced Conformational Changes In Carbon Nanostructure-Protein Corona

PubMed Central

Podila, R.; Vedantam, P.; Ke, P. C.; Brown, J. M.; Rao, A. M.

2012-01-01

The binding of proteins to a nanostructure often alters protein secondary and tertiary structures. However, the main physical mechanisms that elicit protein conformational changes in the presence of the nanostructure have not yet been fully established. Here we performed a comprehensive spectroscopic study to probe the interactions between bovine serum albumin (BSA) and carbon-based nanostructures of graphene and single-walled carbon nanotubes (SWNTs). Our results showed that the BSA “corona” acted as a weak acceptor to facilitate charge transfer from the carbon nanostructures. Notably, we observed that charge transfer occurred only in the case of SWNTs but not in graphene, resulting from the sharp and discrete electronic density of states of the former. Furthermore, the relaxation of external α–helices in BSA secondary structure increased concomitantly with the charge transfer. These results may help guide controlled nanostructure-biomolecular interactions and prove beneficial for developing novel drug delivery systems, biomedical devices and engineering of safe nanomaterials. PMID:23243478

Modelling nuclear effects in neutrino scattering

NASA Astrophysics Data System (ADS)

Leitner, T.; Alvarez-Ruso, L.; Mosel, U.

2006-07-01

We have developed a model to describe the interactions of neutrinos with nucleons and nuclei via charged and neutral currents, focusing on the region of the quasielastic and Δ(1232) peaks. For νN collisions a fully relativistic formalism is used. The extension to finite nuclei has been done in the framework of a coupled-channel BUU transport model where we have studied exclusive channels taking into account in-medium effects and final state interactions.

Implementation of a transcutaneous charger for fully implantable middle ear hearing device.

PubMed

Lim, H; Yoon, Y; Lee, C; Park, I; Song, B; Cho, J

2005-01-01

A transcutaneous charger for the fully implantable middle ear hearing device (F-IMEHD), which can monitor the charging level of battery, has been designed and implemented. In order to recharge the battery of F-IMEHD, the electromagnetic coupling between primary coil at outer body and secondary coil at inner body has been used. Considering the implant condition of the F-IMEHD, the primary coil and the secondary coil have been designed. Using the resonance of LC tank circuit at each coil, transmission efficiency was increased. Since the primary and the secondary coil are magnetically coupled, the current variation of the primary coil is related with the impedance of internal resonant circuit. Using the principle mentioned above, the implanted module could transmit outward the information about charging state of battery or coupling between two coils by the changing internal impedance. As in the demonstrated results of experiment, the implemented charger has supplied the sufficient operating voltage for the implanted battery within about 10 mm distance. And also, it has been confirmed that the implanted module can transmit information outward by control of internal impedance.

The NSCL electron beam ion trap for the reacceleration of rare isotopes coming to life: first extraction tests with a high-current electron gun.

PubMed

Schwarz, S; Bollen, G; Johnson, M; Kester, O; Kostin, M; Ottarson, J; Portillo, M; Wilson, C; López-Urrutia, J R Crespo; Dilling, J

2010-02-01

NSCL is currently constructing the ReA3 reaccelerator, which will accelerate rare isotopes obtained from gas stopping of fast-fragment beams to energies of up to 3 MeV/u for uranium and higher for lighter ions. A high-current charge breeder, based on an electron beam ion trap (EBIT), has been chosen as the first step in the acceleration process, as it has the potential to efficiently produce highly charged ions in a single charge state. These ions are fed into a compact linear accelerator consisting of a radio frequency quadrupole structure and superconducting cavities. The NSCL EBIT has been fully designed with most of the parts constructed. The design concept of the EBIT and results from initial commissioning tests of the electron gun and collector with a temporary 0.4 T magnet are presented.

Single DNA molecules on freestanding and supported cationic lipid bilayers: diverse conformational dynamics controlled by the local bilayer properties

NASA Astrophysics Data System (ADS)

Herold, Christoph; Schwille, Petra; Petrov, Eugene P.

2016-02-01

We present experimental results on the interaction of DNA macromolecules with cationic lipid membranes with different properties, including freestanding membranes in the fluid and gel state, and supported lipid membranes in the fluid state and under conditions of fluid-gel phase coexistence. We observe diverse conformational dynamics of membrane-bound DNA molecules controlled by the local properties of the lipid bilayer. In case of fluid-state freestanding lipid membranes, the behaviour of DNA on the membrane is controlled by the membrane charge density: whereas DNA bound to weakly charged membranes predominantly behaves as a 2D random coil, an increase in the membrane charge density leads to membrane-driven irreversible DNA collapse and formation of subresolution-sized DNA globules. On the other hand, electrostatic binding of DNA macromolecules to gel-state freestanding membranes leads to completely arrested diffusion and conformational dynamics of membrane-adsorbed DNA. A drastically different picture is observed in case of DNA interaction with supported cationic lipid bilayers: When the supported bilayer is in the fluid state, membrane-bound DNA molecules undergo 2D translational Brownian motion and conformational fluctuations, irrespectively of the charge density of the supported bilayer. At the same time, when the supported cationic membrane shows fluid-gel phase coexistence, membrane-bound DNA molecules are strongly attracted to micrometre-sized gel-phase domains enriched with the cationic lipid, which results in 2D compaction of the membrane-bound macromolecules. This DNA compaction, however, is fully reversible, and disappears as soon as the membrane is heated above the fluid-gel coexistence. We also discuss possible biological implications of our experimental findings.

Charge transfer mechanism in titanium-doped microporous silica for photocatalytic water-splitting applications

DOE PAGES

Sapp, Wendi; Koodali, Ranjit; Kilin, Dmitri

2016-02-29

Solar energy conversion into chemical form is possible using artificial means. One example of a highly-efficient fuel is solar energy used to split water into oxygen and hydrogen. Efficient photocatalytic water-splitting remains an open challenge for researchers across the globe. Despite significant progress, several aspects of the reaction, including the charge transfer mechanism, are not fully clear. Density functional theory combined with density matrix equations of motion were used to identify and characterize the charge transfer mechanism involved in the dissociation of water. A simulated porous silica substrate, using periodic boundary conditions, with Ti 4+ ions embedded on the innermore » pore wall was found to contain electron and hole trap states that could facilitate a chemical reaction. A trap state was located within the silica substrate that lengthened relaxation time, which may favor a chemical reaction. A chemical reaction would have to occur within the window of photoexcitation; therefore, the existence of a trapping state may encourage a chemical reaction. Furthermore, this provides evidence that the silica substrate plays an integral part in the electron/hole dynamics of the system, leading to the conclusion that both components (photoactive materials and support) of heterogeneous catalytic systems are important in optimization of catalytic efficiency.« less

The fifth electron in the fully reduced caa(3) from Thermus thermophilus is competent in proton pumping.

PubMed

Siletsky, Sergey A; Belevich, Ilya; Soulimane, Tewfik; Verkhovsky, Michael I; Wikström, Mårten

2013-01-01

The time-resolved kinetics of membrane potential generation coupled to oxidation of the fully reduced (five-electron) caa(3) cytochrome oxidase from Thermus thermophilus by oxygen was studied in a single-turnover regime. In order to calibrate the number of charges that move across the vesicle membrane in the different reaction steps, the reverse electron transfer from heme a(3) to heme a and further to the cytochrome c/Cu(A) has been resolved upon photodissociation of CO from the mixed valence enzyme in the absence of oxygen. The reverse electron transfer from heme a(3) to heme a and further to the cytochrome c/Cu(A) pair is resolved as a single transition with τ~40 μs. In the reaction of the fully reduced cytochrome caa(3) with oxygen, the first electrogenic phase (τ~30 μs) is linked to OO bond cleavage and generation of the P(R) state. The next electrogenic component (τ~50 μs) is associated with the P(R)→F transition and together with the previous reaction step it is coupled to translocation of about two charges across the membrane. The three subsequent electrogenic phases, with time constants of ~0.25 ms, ~1.4 ms and ~4 ms, are linked to the conversion of the binuclear center through the F→O(H)→E(H) transitions, and result in additional transfer of four charges through the membrane dielectric. This indicates that the delivery of the fifth electron from heme c to the binuclear center is coupled to pumping of an additional proton across the membrane. Copyright © 2012 Elsevier B.V. All rights reserved.

Battery charger and state of charge indicator. Final report

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

Latos, T.S.

1984-04-15

The battery charger has a full-wave rectifier in series with a transformer isolated 20 kHz dc-dc converter with high frequency switches which are programmed to actively shape the input ac line current to be a mirror image of the ac line voltage. The power circuit is capable of operating at 2 kW peak and 1 kW average power. The BC/SCI has two major subsystems: (1) the battery charger power electronics with its controls; and (2) a microcomputer subsystem which is used to acquire battery terminal data and exercise the state-of-charge software programs. The state-of-charge definition employed is the energy remainingmore » in the battery when extracted at a 10 kW rate divided by the energy capacity of a fully charged new battery. The battery charger circuit is an isolated boost converter operating at an internal frequency of 20 kHz. The switches selected for the battery charger are the single most important item in determining its efficiency. The combination of voltage and current requirements dictated the use of high power NPN Darlington switching transistors. The power circuit topology developed is a three switch design utilizing a power FET on the center tap of the isolation transformer and the power Darlingtons on each of the two ends. An analog control system is employed to accomplish active input current waveshaping as well as the necessary regulation.« less

Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

NASA Technical Reports Server (NTRS)

Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

2004-01-01

In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further details of the instrumentation used for insulator measurements and representative measurements of insulating spacecraft materials are provided in other Spacecraft Charging Conference presentations. The NASA Space Environments and Effects Program, the Air Force Office of Scientific Research, the Boeing Corporation, NASA Graduate Research Fellowships, and the NASA Rocky Mountain Space Grant Consortium have provided support.

On determination of charge transfer efficiency of thick, fully depleted CCDs with 55 Fe x-rays

DOE PAGES

Yates, D.; Kotov, I.; Nomerotski, A.

2017-07-01

Charge transfer efficiency (CTE) is one of the most important CCD characteristics. Our paper examines ways to optimize the algorithms used to analyze 55Fe x-ray data on the CCDs, as well as explores new types of observables for CTE determination that can be used for testing LSST CCDs. Furthermore, the observables are modeled employing simple Monte Carlo simulations to determine how the charge diffusion in thick, fully depleted silicon affects the measurement. The data is compared to the simulations for one of the observables, integral flux of the x-ray hit.

Mechanical and electrochemical response of a LiCoO 2 cathode using reconstructed microstructures

DOE PAGES

Mendoza, Hector; Roberts, Scott Alan; Brunini, Victor; ...

2016-01-01

As LiCoO 2 cathodes are charged, delithiation of the LiCoO 2 active material leads to an increase in the lattice spacing, causing swelling of the particles. When these particles are packed into a bicontinuous, percolated network, as is the case in a battery electrode, this swelling leads to the generation of significant mechanical stress. In this study we performed coupled electrochemical-mechanical simulations of the charging of a LiCoO 2 cathode in order to elucidate the mechanisms of stress generation and the effect of charge rate and microstructure on these stresses. Energy dispersive spectroscopy combined with scanning electron microscopy imaging wasmore » used to create 3D reconstructions of a LiCoO 2 cathode, and the Conformal Decomposition Finite Element Method is used to automatically generate computational meshes on this reconstructed microstructure. Replacement of the ideal solution Fickian diffusion model, typically used in battery simulations, with a more general non-ideal solution model shows substantially smaller gradients of lithium within particles than is typically observed in the literature. Using this more general model, lithium gradients only appear at states of charge where the open-circuit voltage is relatively constant. While lithium gradients do affect the mechanical stress state in the particles, the maximum stresses are always found in the fully-charged state and are strongly affected by the local details of the microstructure and particle-to-particle contacts. These coupled electrochemical-mechanical simulations begin to yield insight into the partitioning of volume change between reducing pore space and macroscopically swelling the electrode. Lastly, preliminary studies that include the presence of the polymeric binder suggest that it can greatly impact stress generation and that it is an important area for future research.« less

Melissa Rowland and the rights of pregnant women.

PubMed

Minkoff, Howard; Paltrow, Lynn M

2004-12-01

On March 11, 2004, the State of Utah charged Melissa Rowland with the murder of her stillborn fetus, claiming that the death resulted from her rejection of the advice of her physicians to have a cesarean delivery. Although Ms. Rowland avoided the homicide charge by pleading guilty to lesser child endangerment charges, the approach taken by the State raises important and troubling issues regarding the autonomy rights of pregnant women, as well as their right to speak on behalf their unborn children. We use this case to review relevant ethical principals and legal precedents. We conclude that if Ms. Rowland is to be judged legally culpable for the death of her fetus, then the courts must first create a new and significant exception to the doctrine of informed consent and the common law and constitutional principles upon which it is based. Such a precedent could introduce a substantial disparity between the rights of pregnant women and those of all other persons. We would argue that a better means of assuring the health interests of the pregnant woman and the fetus in similar circumstances is through advocacy by obstetricians for pregnant women's fully realized rights, including the right to informed consent.

Photoinduced ICT vs. excited rotamer intercoversion in two quadrupolar polyaromatic N-methylpyridinium cations.

PubMed

Cesaretti, A; Carlotti, B; Elisei, F; Fortuna, C G; Spalletti, A

2018-01-24

The excited state dynamics of two quadrupolar polyaromatic N-methylpyridinium cations have been fully investigated in order to acquire detailed information on their photo-induced behavior. The two molecules are symmetric push-pull compounds having a D-π-A + -π-D motif, with the same electron-acceptor central unit (A = N-methylpyridinium) and two distinctive electron-donor polyaromatic side groups (D), namely naphthyl and pyrenyl substituents. Both molecules undergo charge transfer during the absorption, as revealed by a significant solvatochromism exhibited with solvent polarity, but the fate of their excited state was found to be markedly different. The careful analysis of the data gathered from femtosecond-resolved fluorescence up-conversion and transient absorption experiments, supported by DFT quantum mechanical calculations and temperature-dependent stationary measurements, shows the leading role of intramolecular charge transfer, assisted by symmetry breaking, in the pyrenyl derivative and that of rotamer interconversion in the naphthtyl one. Both excited state processes are controlled by the viscosity rather than polarity of the solvent, and they occur during inertial solvation in low-viscous media and lengthening up to tens of picoseconds in highly viscous solvents.

Reconstructing $$t\\bar{t}$$ events with one lost jet

DOE PAGES

Demina, Regina; Harel, Amnon; Orbaker, Douglas

2015-04-02

We present a technique for reconstructing the kinematics of pair-produced top quarks that decay to a charged lepton, a neutrino and four final state quarks in the subset of events where only three jets are reconstructed. We present a figure of merit that allows for a fair comparison of reconstruction algorithms without requiring their calibration. As a result, the new reconstruction of events with only three jets is fully competitive with the full reconstruction typically used for four-jet events.

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

Probing interfacial energetics and charge transfer kinetics in semiconductor nanocomposites: New insights into heterostructured TiO 2/BiVO 4 photoanodes

DOE PAGES

Hess, Lucas H.; Cooper, Jason K.; Loiudice, Anna; ...

2017-02-28

Heterostructured nanocomposites offer promise for creating systems exhibiting functional properties that exceed those of the isolated components. For solar energy conversion, such combinations of semiconducting nanomaterials can be used to direct charge transfer along pathways that reduce recombination and promote efficient charge extraction. However, interfacial energetics and associated kinetic pathways often differ significantly from predictions derived from the characteristics of pure component materials, particularly at the nanoscale. Here, the emergent properties of TiO 2/BiVO 4 nanocomposite photoanodes are explored using a combination of X-ray and optical spectroscopies, together with photoelectrochemical (PEC) characterization. Application of these methods to both the puremore » components and the fully assembled nanocomposites reveals unpredicted interfacial energetic alignment, which promotes ultrafast injection of electrons from BiVO 4 into TiO 2. Physical charge separation yields extremely long-lived photoexcited states and correspondingly enhanced photoelectrochemical functionality. This work highlights the importance of probing emergent interfacial energetic alignment and kinetic processes for understanding mechanisms of solar energy conversion in complex nanocomposites.« less

Elemental and charge state composition of the fast solar wind observed with SMS instruments on WIND

NASA Technical Reports Server (NTRS)

Gloeckler, G.; Galvin, A. B.; Ipavich, F. M.; Hamilton, D. C.; Bochsler, P.; Geiss, J.; Fisk, L. A.; Wilken, B.

1995-01-01

The elemental composition and charge state distributions of heavy ions of the solar wind provide essential information about: (1) atom-ion separation processes in the solar atmosphere leading to the 'FIP effect' (the overabundance of low First Ionization potential (FIP) elements in the solar wind compared to the photosphere); and (2) coronal temperature profiles, as well as mechanisms which heat the corona and accelerate the solar wind. This information is required for solar wind acceleration models. The SWICS instrument on Ulysses measures for all solar wind flow conditions the relative abundance of about 8 elements and 20 charge states of the solar wind. Furthermore, the Ulysses high-latitude orbit provides an unprecedented look at the solar wind from the polar coronal holes near solar minimum conditions. The MASS instrument on the WIND spacecraft is a high-mass resolution solar wind ion mass spectrometer that will provide routinely not only the abundances and charge state of all elements easily measured with SWICS, but also of N, Mg, S. The MASS sensor was fully operational at the end of 1994 and has sampled the in-ecliptic solar wind composition in both the slow and the corotating fast streams. This unique combination of SWICS on Ulysses and MASS on WIND allows us to view for the first time the solar wind from two regions of the large coronal hole. Observations with SWICS in the coronal hole wind: (1) indicate that the FIP effect is small; and (2) allow us determine the altitude of the maximum in the electron temperature profile, and indicate a maximum temperature of approximately 1.5 MK. New results from the SMS instruments on Wind will be compared with results from SWICS on Ulysses.

Quantitative characterization of galectin-3-C affinity mass spectrometry measurements: Comprehensive data analysis, obstacles, shortcuts and robustness.

PubMed

Haramija, Marko; Peter-Katalinić, Jasna

2017-10-30

Affinity mass spectrometry (AMS) is an emerging tool in the field of the study of protein•carbohydrate complexes. However, experimental obstacles and data analysis are preventing faster integration of AMS methods into the glycoscience field. Here we show how analysis of direct electrospray ionization mass spectrometry (ESI-MS) AMS data can be simplified for screening purposes, even for complex AMS spectra. A direct ESI-MS assay was tested in this study and binding data for the galectin-3C•lactose complex were analyzed using a comprehensive and simplified data analysis approach. In the comprehensive data analysis approach, noise, all protein charge states, alkali ion adducts and signal overlap were taken into account. In a simplified approach, only the intensities of the fully protonated free protein and the protein•carbohydrate complex for the main protein charge state were taken into account. In our study, for high intensity signals, noise was negligible, sodiated protein and sodiated complex signals cancelled each other out when calculating the K d value, and signal overlap influenced the Kd value only to a minor extent. Influence of these parameters on low intensity signals was much higher. However, low intensity protein charge states should be avoided in quantitative AMS analyses due to poor ion statistics. The results indicate that noise, alkali ion adducts, signal overlap, as well as low intensity protein charge states, can be neglected for preliminary experiments, as well as in screening assays. One comprehensive data analysis performed as a control should be sufficient to validate this hypothesis for other binding systems as well. Copyright © 2017 John Wiley & Sons, Ltd.

Fully implicit Particle-in-cell algorithms for multiscale plasma simulation

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

Chacon, Luis

The outline of the paper is as follows: Particle-in-cell (PIC) methods for fully ionized collisionless plasmas, explicit vs. implicit PIC, 1D ES implicit PIC (charge and energy conservation, moment-based acceleration), and generalization to Multi-D EM PIC: Vlasov-Darwin model (review and motivation for Darwin model, conservation properties (energy, charge, and canonical momenta), and numerical benchmarks). The author demonstrates a fully implicit, fully nonlinear, multidimensional PIC formulation that features exact local charge conservation (via a novel particle mover strategy), exact global energy conservation (no particle self-heating or self-cooling), adaptive particle orbit integrator to control errors in momentum conservation, and canonical momenta (EM-PICmore » only, reduced dimensionality). The approach is free of numerical instabilities: ω peΔt >> 1, and Δx >> λ D. It requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant CPU gains (vs explicit PIC) have been demonstrated. The method has much potential for efficiency gains vs. explicit in long-time-scale applications. Moment-based acceleration is effective in minimizing N FE, leading to an optimal algorithm.« less

Propagation of electromagnetic waves in a weak collisional and fully ionized dusty plasma

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

Jia, Jieshu; Yuan, Chengxun, E-mail: yuancx@hit.edu.cn; Gao, Ruilin

2016-04-15

The propagation properties of electromagnetic (EM) waves in fully ionized dusty plasmas is the subject of this study. The dielectric relationships for EM waves propagating in a fully ionized dusty plasma was derived from the Boltzmann distribution law, taking into consideration the collision and charging effects of the dust grains. The propagation properties of the EM waves in a dusty plasma were numerically calculated and studied. The study results indicated that the dusty grains with an increased radius and charge were more likely to impede the penetration of EM waves. Dust grains with large radii and high charge cause themore » attenuation of the EM wave in the dusty plasma. The different density of the dust in the plasma appeared to have no obvious effect on the transmission of the EM waves. The propagation of the EM waves in a weakly ionized dusty plasma varies from that in a fully ionized dusty plasma. The results are helpful to analyze the effects of dust in dusty plasmas and also provide a theoretical basis for future studies.« less

Solar Wind Charge Exchange Studies Of Highly Charged Ions On Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Draganić, I. N.; Seely, D. G.; McCammon, D.; Havener, C. C.

2011-06-01

Accurate studies of low-energy charge exchange (CX) are critical to understanding underlying soft X-ray radiation processes in the interaction of highly charged ions from the solar wind with the neutral atoms and molecules in the heliosphere, cometary comas, planetary atmospheres, interstellar winds, etc.. Particularly important are the CX cross sections for bare, H-like, and He-like ions of C, N, O and Ne, which are the dominant charge states for these heavier elements in the solar wind. Absolute total cross sections for single electron capture by H-like ions of C, N, O and fully-stripped O ions from atomic hydrogen have been measured in an expanded range of relative collision energies (5 eV/u-20 keV/u) and compared to previous H-oven measurements. The present measurements are performed using a merged-beams technique with intense highly charged ion beams extracted from a 14.5 GHz ECR ion source installed on a high voltage platform at the Oak Ridge National Laboratory. For the collision energy range of 0.3 keV/u-3.3 keV/u, which corresponds to typical ion velocities in the solar wind, the new measurements are in good agreement with previous H-oven measurements. The experimental results are discussed in detail and compared with theoretical calculations where available.

Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study.

PubMed

Kang, Guo-Jun; Song, Chao; Ren, Xue-Feng

2016-11-25

The electronic geometries and optical properties of two D-π-A type zinc porphyrin dyes (NCH₃-YD2 and TPhe-YD) were systematically investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) to reveal the origin of significantly altered charge transfer enhancement by changing the electron donor of the famous porphyrin-based sensitizer YD2-o-C8. The molecular geometries and photophysical properties of dyes before and after binding to the TiO₂ cluster were fully investigated. From the analyses of natural bond orbital (NBO), extended charge decomposition analysis (ECDA), and electron density variations (Δρ) between the excited state and ground state, it was found that the introduction of N(CH₃)₂ and 1,1,2-triphenylethene groups enhanced the intramolecular charge-transfer (ICT) character compared to YD2-o-C8. The absorption wavelength and transition possess character were significantly influenced by N(CH₃)₂ and 1,1,2-triphenylethene groups. NCH₃-YD2 with N(CH₃)₂ groups in the donor part is an effective way to improve the interactions between the dyes and TiO₂ surface, light having efficiency (LHE), and free energy change (ΔG inject ), which is expected to be an efficient dye for use in dye-sensitized solar cells (DSSCs).

Alkali-metal induced band structure deformation investigated by angle-resolved photoemission spectroscopy and first-principles calculations

NASA Astrophysics Data System (ADS)

Ito, S.; Feng, B.; Arita, M.; Someya, T.; Chen, W.-C.; Takayama, A.; Iimori, T.; Namatame, H.; Taniguchi, M.; Cheng, C.-M.; Tang, S.-J.; Komori, F.; Matsuda, I.

2018-04-01

Alkali-metal adsorption on the surface of materials is widely used for in situ surface electron doping, particularly for observing unoccupied band structures by angle-resolved photoemission spectroscopy (ARPES). However, the effects of alkali-metal atoms on the resulting band structures have yet to be fully investigated, owing to difficulties in both experiments and calculations. Here, we combine ARPES measurements on cesium-adsorbed ultrathin bismuth films with first-principles calculations of the electronic charge densities and demonstrate a simple method to evaluate alkali-metal induced band deformation. We reveal that deformation of bismuth surface bands is directly correlated with vertical charge-density profiles at each electronic state of bismuth. In contrast, a change in the quantized bulk bands is well described by a conventional rigid-band-shift picture. We discuss these two aspects of the band deformation holistically, considering spatial distributions of the electronic states and cesium-bismuth hybridization, and provide a prescription for applying alkali-metal adsorption to a wide range of materials.

Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms.

PubMed

King, Andrew W; Baskerville, Adam L; Cox, Hazel

2018-03-13

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

Adiabatic charging of nickel-hydrogen batteries

NASA Technical Reports Server (NTRS)

Lurie, Chuck; Foroozan, S.; Brewer, Jeff; Jackson, Lorna

1995-01-01

Battery management during prelaunch activities has always required special attention and careful planning. The transition from nickel-cadium to nickel-hydrogen batteries, with their high self discharge rate and lower charge efficiency, as well as longer prelaunch scenarios, has made this aspect of spacecraft battery management even more challenging. The AXAF-I Program requires high battery state of charge at launch. The use of active cooling, to ensure efficient charging, was considered and proved to be difficult and expensive. Alternative approaches were evaluated. Optimized charging, in the absence of cooling, appeared promising and was investigated. Initial testing was conducted to demonstrate the feasibility of the 'Adiabatic Charging' approach. Feasibility was demonstrated and additional testing performed to provide a quantitative, parametric data base. The assumption that the battery is in an adiabatic environment during prelaunch charging is a conservative approximation because the battery will transfer some heat to its surroundings by convective air cooling. The amount is small compared to the heat dissipated during battery overcharge. Because the battery has a large thermal mass, substantial overcharge can occur before the cells get too hot to charge efficiently. The testing presented here simulates a true adiabatic environment. Accordingly the data base may be slightly conservative. The adiabatic charge methodology used in this investigation begins with stabilizing the cell at a given starting temperature. The cell is then fully insulated on all sides. Battery temperature is carefully monitored and the charge terminated when the cell temperature reaches 85 F. Charging has been evaluated with starting temperatures from 55 to 75 F.

Lead-acid battery research and development—a vital key to winning new business

NASA Astrophysics Data System (ADS)

Bullock, Kathryn R.

Battery strings are operated in a partial-state-of-charge mode (PSoC) in several new and changing applications for lead-acid batteries, in which the battery is seldom, if ever, fully charged or discharged. The lead battery industry faces new challenges as additional failure modes become evident in these PSoC applications. Without overcharge, cell imbalances caused by variations in cell temperature will cause premature failures. Valve-regulated lead-acid batteries are especially susceptible because of the heat generated by oxygen recombination at the negative plate. Improved thermal properties are shown by a proprietary battery design that combines absorptive glass mat and gelled acid technologies. Well-designed power systems are also required to reduce cell-to-cell temperature variations and, thereby, increase battery life.

Topological States in Partially-PT -Symmetric Azimuthal Potentials

NASA Astrophysics Data System (ADS)

Kartashov, Yaroslav V.; Konotop, Vladimir V.; Torner, Lluis

2015-11-01

We introduce partially-parity-time (p PT ) -symmetric azimuthal potentials composed from individual PT -symmetric cells located on a ring, where two azimuthal directions are nonequivalent in a sense that in such potential excitations carrying topological dislocations exhibit different dynamics for different directions of energy circulation in the initial field distribution. Such nonconservative ratchetlike structures support rich families of stable vortex solitons in cubic nonlinear media, whose properties depend on the sign of the topological charge due to the nonequivalence of azimuthal directions. In contrast, oppositely charged vortex solitons remain equivalent in similar fully-P T -symmetric potentials. The vortex solitons in the p P T - and P T -symmetric potentials are shown to feature qualitatively different internal current distributions, which are described by different discrete rotation symmetries of the intensity profiles.

Determination of the lead-acid battery's dynamic response using Butler-Volmer equation for advanced battery management systems in automotive applications

NASA Astrophysics Data System (ADS)

Piłatowicz, Grzegorz; Budde-Meiwes, Heide; Kowal, Julia; Sarfert, Christel; Schoch, Eberhard; Königsmann, Martin; Sauer, Dirk Uwe

2016-11-01

Micro-hybrid vehicles (μH) are currently starting to dominate the European market and seize constantly growing share of other leading markets in the world. On the one hand, the additional functionality of μH reduces the CO2 emissions and improves the fuel economy, but, on the other hand, the additional stress imposed on the lead-acid battery reduces significantly its expected service life in comparison to conventional vehicles. Because of that μH require highly accurate battery state detection solutions. They are necessary to ensure the vehicle reliability requirements, prolong service life and reduce warranty costs. This paper presents an electrical model based on Butler-Volmer equation. The main novelty of the presented approach is its ability to predict accurately dynamic response of a battery considering a wide range of discharge current rates, state-of-charges and temperatures. Presented approach is fully implementable and adaptable in state-of-the-art low-cost platforms. Additionally, shown results indicate that it is applicable as a supporting tool for state-of-charge and state-of-health estimation and scalable for the different battery technologies and sizes. Validation using both static pulses and dynamic driving profile resulted in average absolute error of 124 mV regarding cranking current rate of 800 A respectively.

Glucose Sensing Using Functionalized Amorphous In-Ga-Zn-O Field-Effect Transistors.

PubMed

Du, Xiaosong; Li, Yajuan; Motley, Joshua R; Stickle, William F; Herman, Gregory S

2016-03-01

Recent advances in glucose sensing have focused on the integration of sensors into contact lenses to allow noninvasive continuous glucose monitoring. Current technologies focus primarily on enzyme-based electrochemical sensing which requires multiple nontransparent electrodes to be integrated. Herein, we leverage amorphous indium gallium zinc oxide (IGZO) field-effect transistors (FETs), which have found use in a wide range of display applications and can be made fully transparent. Bottom-gated IGZO-FETs can have significant changes in electrical characteristics when the back-channel is exposed to different environments. We have functionalized the back-channel of IGZO-FETs with aminosilane groups that are cross-linked to glucose oxidase and have demonstrated that these devices have high sensitivity to changes in glucose concentrations. Glucose sensing occurs through the decrease in pH during glucose oxidation, which modulates the positive charge of the aminosilane groups attached to the IGZO surface. The change in charge affects the number of acceptor-like surface states which can deplete electron density in the n-type IGZO semiconductor. Increasing glucose concentrations leads to an increase in acceptor states and a decrease in drain-source conductance due to a positive shift in the turn-on voltage. The functionalized IGZO-FET devices are effective in minimizing detection of interfering compounds including acetaminophen and ascorbic acid. These studies suggest that IGZO FETs can be effective for monitoring glucose concentrations in a variety of environments, including those where fully transparent sensing elements may be of interest.

22 CFR 1423.7 - Investigation of charges.

Code of Federal Regulations, 2010 CFR

2010-04-01

... persons are expected to cooperate fully with the Regional Director. (d) The purposes and policies of the... PRACTICE PROCEEDINGS § 1423.7 Investigation of charges. (a) The Regional Director, on behalf of the General Counsel, shall conduct such investigation of the charge as the Regional Director deems necessary. (b...

22 CFR 1423.7 - Investigation of charges.

Code of Federal Regulations, 2011 CFR

2011-04-01

... persons are expected to cooperate fully with the Regional Director. (d) The purposes and policies of the... PRACTICE PROCEEDINGS § 1423.7 Investigation of charges. (a) The Regional Director, on behalf of the General Counsel, shall conduct such investigation of the charge as the Regional Director deems necessary. (b...

On-line adaptive battery impedance parameter and state estimation considering physical principles in reduced order equivalent circuit battery models part 2. Parameter and state estimation

NASA Astrophysics Data System (ADS)

Fleischer, Christian; Waag, Wladislaw; Heyn, Hans-Martin; Sauer, Dirk Uwe

2014-09-01

Lithium-ion battery systems employed in high power demanding systems such as electric vehicles require a sophisticated monitoring system to ensure safe and reliable operation. Three major states of the battery are of special interest and need to be constantly monitored. These include: battery state of charge (SoC), battery state of health (capacity fade determination, SoH), and state of function (power fade determination, SoF). The second paper concludes the series by presenting a multi-stage online parameter identification technique based on a weighted recursive least quadratic squares parameter estimator to determine the parameters of the proposed battery model from the first paper during operation. A novel mutation based algorithm is developed to determine the nonlinear current dependency of the charge-transfer resistance. The influence of diffusion is determined by an on-line identification technique and verified on several batteries at different operation conditions. This method guarantees a short response time and, together with its fully recursive structure, assures a long-term stable monitoring of the battery parameters. The relative dynamic voltage prediction error of the algorithm is reduced to 2%. The changes of parameters are used to determine the states of the battery. The algorithm is real-time capable and can be implemented on embedded systems.

Stationary to nonstationary transition in crossed-field devices

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

Marini, Samuel; Rizzato, Felipe B.; Pakter, Renato

2016-03-15

The previous results based on numerical simulations showed that a cold electron beam injected in a crossed field gap does not reach a time independent stationary state in the space charge limited regime [P. J. Christenson and Y. Y. Lau, Phys. Plasmas 1, 3725 (1994)]. In this work, the effect of finite injection temperature in the transition from stationary to nonstationary states is investigated. A fully kinetic model for the electron flow is derived and used to determine the possible stationary states of the system. It is found that although there is always a stationary solution for any set ofmore » parameters, depending on the injection temperature the electron flow becomes very sensitive to fluctuations and the stationary state is never reached. By investigating the nonlinear dynamics of a characteristic electron, a theory based on a single free parameter is constructed to predict when the transition between stationary and nonstationary states occurs. In agreement with the previous numerical results, the theory indicates that for vanishing temperatures the system never reaches the time independent stationary state in the space charge limited regime. Nevertheless, as the injection temperature is raised it is found a broad range of system parameters for which the stationary state is indeed attained. By properly adjusting the free parameter in the theory, one can be able to describe, to a very good accuracy, when the transition occurs.« less

Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution.

PubMed

Young, Meggie N; Bleiholder, Christian

2017-04-01

Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass ~3 kDa or momentum transfer cross-section 400-500 Å 2 would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C 960 (~12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ. Graphical Abstract ᅟ.

Quasi-four-body treatment of charge transfer in the collision of protons with atomic helium: II. Second-order non-Thomas mechanisms and the cross sections

NASA Astrophysics Data System (ADS)

Safarzade, Zohre; Akbarabadi, Farideh Shojaei; Fathi, Reza; Brunger, Michael J.; Bolorizadeh, Mohammad A.

2018-05-01

A fully quantum mechanical four-body treatment of charge transfer collisions between energetic protons and atomic helium is developed here. The Pauli exclusion principle is applied to both the wave function of the initial and final states as well as the operators involved in the interaction. Prior to the collision, the helium atom is assumed as a two-body system composed of the nucleus, He2+, and an electron cloud composed of two electrons. Nonetheless, four particles are assumed in the final state. As the double interactions contribute extensively in single charge transfer collisions, the Faddeev-Lovelace-Watson scattering formalism describes it best physically. The treatment of the charge transfer cross section, under this quasi-four-body treatment within the FWL formalism, showed that other mechanisms leading to an effect similar to the Thomas one occur at the same scattering angle. Here, we study the two-body interactions which are not classically described but which lead to an effect similar to the Thomas mechanism and finally we calculate the total singlet and triplet amplitudes as well as the angular distributions of the charge transfer cross sections. As the incoming projectiles are assumed to be plane waves, the present results are calculated for high energies; specifically a projectile energy of 7.42 MeV was assumed as this is where experimental results are available in the literature for comparison. Finally, when possible we compare the present results with the other available theoretical data.

Cyclic steady states in diffusion-induced plasticity with applications to lithium-ion batteries

NASA Astrophysics Data System (ADS)

Peigney, Michaël

2018-02-01

Electrode materials in lithium-ion batteries offer an example of medium in which stress and plastic flow are generated by the diffusion of guest atoms. In such a medium, deformation and diffusion are strongly coupled processes. For designing electrodes with improved lifetime and electro-mechanical efficiency, it is crucial to understand how plasticity and diffusion evolve over consecutive charging-recharging cycles. With such questions in mind, this paper provides general results for the large-time behavior of media coupling plasticity with diffusion when submitted to cyclic chemo-mechanical loadings. Under suitable assumptions, we show that the stress, the plastic strain rate, the chemical potential and the flux of guest atoms converge to a cyclic steady state which is largely independent of the initial state. A special emphasis is laid on the special case of elastic shakedown, which corresponds to the situation where the plastic strain stops evolving after a sufficiently large number of cycles. Elastic shakedown is expected to be beneficial for the fatigue behavior and - in the case of lithium-ion batteries - for the electro-chemical efficiency. We provide a characterization of the chemo-mechanical loadings for which elastic shakedown occurs. Building on that characterization, we suggest a general method for designing structures in such fashion that they operate in the elastic shakedown regime, whatever the initial state is. An attractive feature of the proposed method is that incremental analysis of the fully coupled plasticity-diffusion problem is avoided. The results obtained are applied to the model problem of a battery electrode cylinder particle under cyclic charging. Closed-form expressions are obtained for the set of charging rates and charging amplitudes for which elastic shakedown occurs, as well as for the corresponding cyclic steady states of stress, lithium concentration and chemical potential. Some results for a spherical particle are also presented.

Battery Charge Affects the Stability of Light Intensity from Light-emitting Diode Light-curing Units.

PubMed

Tongtaksin, A; Leevailoj, C

This study investigated the influence of battery charge levels on the stability of light-emitting diode (LED) curing-light intensity by measuring the intensity from fully charged through fully discharged batteries. The microhardness of resin composites polymerized by the light-curing units at various battery charge levels was measured. The light intensities of seven fully charged battery LED light-curing units-1) LY-A180, 2) Bluephase, 3) Woodpecker, 4) Demi Plus, 5) Saab II, 6) Elipar S10, and 7) MiniLED-were measured with a radiometer (Kerr) after every 10 uses (20 seconds per use) until the battery was discharged. Ten 2-mm-thick cylindrical specimens of A3 shade nanofilled resin composite (PREMISE, Kerr) were prepared per LED light-curing unit group. Each specimen was irradiated by the fully charged light-curing unit for 20 seconds. The LED light-curing units were then used until the battery charge fell to 50%. Specimens were prepared again as described above. This was repeated again when the light-curing units' battery charge fell to 25% and when the light intensity had decreased to 400 mW/cm 2 . The top/bottom surface Knoop hardness ratios of the specimens were determined. The microhardness data were analyzed by one-way analysis of variance with Tukey test at a significance level of 0.05. The Pearson correlation coefficient was used to determine significant correlations between surface hardness and light intensity. We found that the light intensities of the Bluephase, Demi Plus, and Elipar S10 units were stable. The intensity of the MiniLED unit decreased slightly; however, it remained above 400 mW/cm 2 . In contrast, the intensities of the LY-A180, Woodpecker, and Saab II units decreased below 400 mW/cm 2 . There was also a significant decrease in the surface microhardnesses of the resin composite specimens treated with MiniLED, LY-A180, Woodpecker, and Saab II. In conclusion, the light intensity of several LED light-curing units decreased as the battery was discharged, with a coincident reduction in the units' ability to polymerize resin composite. Therefore, the intensity of an LED light-curing unit should be evaluated during the life of its battery charge to ensure that sufficient light intensity is being generated.

Electron transfer in a virtual quantum state of LiBH4 induced by strong optical fields and mapped by femtosecond x-ray diffraction.

PubMed

Stingl, J; Zamponi, F; Freyer, B; Woerner, M; Elsaesser, T; Borgschulte, A

2012-10-05

Transient polarizations connected with a spatial redistribution of electronic charge in a mixed quantum state are induced by optical fields of high amplitude. We determine for the first time the related transient electron density maps, applying femtosecond x-ray powder diffraction as a structure probe. The prototype ionic material LiBH4 driven nonresonantly by an intense sub-40 fs optical pulse displays a large-amplitude fully reversible electron transfer from the BH4(-) anion to the Li+ cation during excitation. Our results establish this mechanism as the source of the strong optical polarization which agrees quantitatively with theoretical estimates.

One-Dimensional Brownian Motion of Charged Nanoparticles along Microtubules: A Model System for Weak Binding Interactions

PubMed Central

Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko

2010-01-01

Abstract Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. PMID:20409479

One-dimensional Brownian motion of charged nanoparticles along microtubules: a model system for weak binding interactions.

PubMed

Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko

2010-04-21

Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Density functional theory study of hydrogen atom abstraction from a series of para-substituted phenols: why is the Hammett σ(p)+ constant able to represent radical reaction rates?

PubMed

Yoshida, Tatsusada; Hirozumi, Koji; Harada, Masataka; Hitaoka, Seiji; Chuman, Hiroshi

2011-06-03

The rate of hydrogen atom abstraction from phenolic compounds by a radical is known to be often linear with the Hammett substitution constant σ(+), defined using the S(N)1 solvolysis rates of substituted cumyl chlorides. Nevertheless, a physicochemical reason for the above "empirical fact" has not been fully revealed. The transition states of complexes between the 2,2-diphenyl-1-picrylhydrazyl radical (dpph·) and a series of para-substituted phenols were determined by DFT (Density Functional Theory) calculations, and then the activation energy as well as the homolytic bond dissociation energy of the O-H bond and charge distribution in the transition state were calculated. The heterolytic bond dissociation energy of the C-Cl bond and charge distribution in the corresponding para-substituted cumyl chlorides were calculated in parallel. Excellent correlations among σ(+), charge distribution, and activation and bond dissociation energies revealed quantitatively that there is a strong similarity between the two reactions, showing that the electron-deficiency of the π-electron system conjugated with a substituent plays a crucial role in determining rates of the two reactions. The results provide a new insight into and physicochemical understanding of σ(+) in the hydrogen abstraction from substituted phenols by a radical.

Probing quantum Hall states with single-electron transistors at high magnetic fields

NASA Astrophysics Data System (ADS)

Gustafsson, Martin; Yankowitz, Matthew; Forsythe, Carlos; Zhu, Xiaoyang; Dean, Cory

The sequence of fractional quantum Hall states in graphene is not yet fully understood, largely due to disorder-induced limitations of conventional transport studies. Measurements of magnetotransport in other 2D crystals are further complicated by the difficulties in making ohmic contact to the materials. On the other hand, bulk electronic compressibility can provide clear signatures of the integer and fractional quantum Hall effects, does not require ohmic contact, and can be localized to regions of low disorder. The single-electron transistor (SET) is a suitable tool for such experiments due to its small size and high charge sensitivity, which allow electric fields penetrating the 2D electron system to be detected locally and with high fidelity. Here we report studies of exfoliated 2D van der Waals materials fully encapsulated in flakes of hexagonal boron nitride. SETs are fabricated lithographically on top of the encapsulation, yielding a structure which lends itself to experiments at high electric and magnetic fields. We demonstrate the method on monolayer graphene, where we observe fractional quantum Hall states at all filling factors ν = n / 3 up to n = 17 and extract their associated energy gaps for magnetic fields up to 31 tesla.

Preliminary Ionization Efficiencies of {sup 11}C and {sup 14}O with the LBNL ECR Ion Sources

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

Xie, Z.Q.; Cerny, J.; Guo, F.Q.

1998-10-05

High charge states, up to fully stripped {sup 11}C and {sup 14}O ion, beams have been produced with the electron cyclotron resonance ion sources (LBNL, ECR and AECR-U) at Lawrence Berkeley National Laboratory. The radioactive atoms of {sup 11}C and {sup 14}O were collected in batch mode with an LN{sub 2} trap and then bled into the ECR ion sources. Ionization efficiency as high as 11% for {sup 11}C{sup 4+} was achieved.

Role of Entropy and Structural Parameters in the Spin State Transition of LaCoO3

NASA Astrophysics Data System (ADS)

Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

The spin state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge consistent Density Functional Theory + Dynamical Mean Field Theory (DFT+DMFT). We show, from first principles, that LaCoO3 cannot be described by a single, pure spin state at any temperature, but instead shows a gradual change in the population of higher spin multiples as temperature is increased. We explicitly elucidate the critical role of the lattice expansion and oxygen octahedral rotations in the spin state transition. We also show that the spin state transition and the metal-insulator transition in the compound occur at different temperatures. In addition, our results shed light on the importance of electronic entropy, which has so far been ignored in all first principles studies of this material.

Recent BaBar Results on Hadron Spectroscopy

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

Robutti, E.; /INFN, Genoa

2005-08-29

Recent results from on hadronic spectroscopy are presented, based on data collected by the BaBar experiment between 1999 and 2004. The properties of the recently discovered D*{sub sJ}(2317){sup +} and D{sub sJ}(2460){sup +} states are studied: resonance parameters and ratios of decay rates are measured from continuum e{sup +}e{sup -} production, and production rates are measured from B decays. A search for the D*{sub sJ}(2632){sup +} state whose observation has been recently reported by the SELEX Collaboration, and a search for a charged partner of the charmonium-like X(3872) state, are performed, yielding negative results. Finally, extensive searches for several pentaquarkmore » candidates, both fully inclusive and in B decays, result in no positive evidence.« less

CMOS serial link for fully duplexed data communication

NASA Astrophysics Data System (ADS)

Lee, Kyeongho; Kim, Sungjoon; Ahn, Gijung; Jeong, Deog-Kyoon

1995-04-01

This paper describes a CMOS serial link allowing fully duplexed 500 Mbaud serial data communication. The CMOS serial link is a robust and low-cost solution to high data rate requirements. A central charge pump PLL for generating multiphase clocks for oversampling is shared by several serial link channels. Fully duplexed serial data communication is realized in the bidirectional bridge by separating incoming data from the mixed signal on the cable end. The digital PLL accomplishes process-independent data recovery by using a low-ratio oversampling, a majority voting, and a parallel data recovery scheme. Mostly, digital approach could extend its bandwidth further with scaled CMOS technology. A single channel serial link and a charge pump PLL are integrated in a test chip using 1.2 micron CMOS process technology. The test chip confirms upto 500 Mbaud unidirectional mode operation and 320 Mbaud fully duplexed mode operation with pseudo random data patterns.

Application of adenylate energy charge to problems of environmental impact assessment in aquatic organisms

NASA Astrophysics Data System (ADS)

Ivanovici, A. M.

1980-03-01

Various physiological and biochemical methods have been proposed for assessing the effects of environmental perturbation on aquatic organisms. The success of these methods as diagnostic tools has, however, been limited. This paper proposes that adenylate energy charge overcomes some of these limitations. The adenylate energy charge (AEC) is calculated from concentrations of adenine nucleotides ([ATP+½ADP]/[ATP+ADP+AMP]), and is a reflection of metabolic potential available to an organism. Several features of this method are: correlation of specific values with physiological condition or growth state, a defined range of values, fast response times and high precision. Several examples from laboratory and field experiments are given to demonstrate these features. The test organisms used (mollusc species) were exposed to a variety of environmental perturbations, including salinity reduction, hydrocarbons and low doses of heavy metal. The studies performed indicate that the energy charge may be a useful measure in the assessment of environmental impact. Its use is restricted, however, as several limitations exist which need to be fully evaluated. Further work relating values to population characteristics of multicellular organisms needs to be completed before the method can become a predictive tool for management.

Energy and charge transfer in ionized argon coated water clusters.

PubMed

Kočišek, J; Lengyel, J; Fárník, M; Slavíček, P

2013-12-07

We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H2O)n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar(+) and water occurs above the threshold; at higher electron energies above ~28 eV, an excitonic transfer process between Ar(+)* and water opens leading to new products Ar(n)H(+) and (H2O)(n)H(+). On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H2O)(n)H2(2+) and (H2O)(n)(2+) ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

Search for electroweak production of a vector-like quark decaying to a top quark and a Higgs boson using boosted topologies in fully hadronic final states

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

Sirunyan, A. M.; Tumasyan, A.; Adam, W.

A search is performed for electroweak production of a vector-like top quark partner T of charge 2/3 in association with a standard model top or bottom quark, using 2.3 fb –1 of proton-proton collision data atmore » $$\\sqrt{s}$$ = 13 TeV collected by the CMS experiment at the CERN LHC. The search targets T quarks decaying to a top quark and a Higgs boson in fully hadronic final states. For a T quark with mass above 1 TeV the daughter top quark and Higgs boson are highly Lorentz-boosted and can each appear as a single hadronic jet. Jet substructure and b tagging techniques are used to identify the top quark and Higgs boson jets, and to suppress the standard model backgrounds. An excess of events is searched for in the T quark candidate mass distribution in the data, which is found to be consistent with the expected backgrounds. Upper limits at 95% confidence level are set on the product of the single T quark production cross sections and the branching fraction B(T → tH), and these vary between 0.31 and 0.93 pb for T quark masses in the range 1000-1800 GeV. Finally, this is the first search for single electroweak production of a vector-like T quark in fully hadronic final states.« less

Search for electroweak production of a vector-like quark decaying to a top quark and a Higgs boson using boosted topologies in fully hadronic final states

NASA Astrophysics Data System (ADS)

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Waltenberger, W.; Wulz, C.-E.; Chekhovsky, V.; Dvornikov, O.; Dydyshka, Y.; Emeliantchik, I.; Litomin, A.; Makarenko, V.; Mossolov, V.; Stefanovitch, R.; Suarez Gonzalez, J.; Zykunov, V.; Shumeiko, N.; Alderweireldt, S.; De Wolf, E. A.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Salva, S.; Schöfbeck, R.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Bakhshiansohi, H.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Nuttens, C.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; De Oliveira Martins, C.; De Souza, S. Fonseca; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Cheng, T.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Ruan, M.; Shaheen, S. 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A.; Uribe Estrada, C.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Saddique, A.; Shah, M. A.; Shoaib, M.; Waqas, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Walczak, M.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Calpas, B.; Di Francesco, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Hollar, J.; Leonardo, N.; Lloret Iglesias, L.; Nemallapudi, M. 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P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Cuevas, J.; Fernandez Menendez, J.; Gonzalez Caballero, I.; González Fernández, J. R.; Palencia Cortezon, E.; Sanchez Cruz, S.; Suárez Andrés, I.; Vizan Garcia, J. M.; Cabrillo, I. J.; Calderon, A.; Castiñeiras De Saa, J. R.; Curras, E.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Martinez Rivero, C.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; Chen, Y.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Roeck, A.; Di Marco, E.; Dobson, M.; Dorney, B.; du Pree, T.; Duggan, D.; Dünser, M.; Dupont, N.; Elliott-Peisert, A.; Everaerts, P.; Fartoukh, S.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Girone, M.; Glege, F.; Gulhan, D.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kieseler, J.; Kirschenmann, H.; Knünz, V.; Kornmayer, A.; Kortelainen, M. J.; Kousouris, K.; Krammer, M.; Lange, C.; Lecoq, P.; Lourenço, C.; Lucchini, M. T.; Malgeri, L.; Mannelli, M.; Martelli, A.; Meijers, F.; Merlin, J. A.; Mersi, S.; Meschi, E.; Milenovic, P.; Moortgat, F.; Morovic, S.; Mulders, M.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Peruzzi, M.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Racz, A.; Reis, T.; Rolandi, G.; Rovere, M.; Sakulin, H.; Sauvan, J. B.; Schäfer, C.; Schwick, C.; Seidel, M.; Sharma, A.; Silva, P.; Sphicas, P.; Steggemann, J.; Stoye, M.; Takahashi, Y.; Tosi, M.; Treille, D.; Triossi, A.; Tsirou, A.; Veckalns, V.; Veres, G. I.; Verweij, M.; Wardle, N.; Wöhri, H. K.; Zagozdzinska, A.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Casal, B.; Dissertori, G.; Dittmar, M.; Donegà, M.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lecomte, P.; Lustermann, W.; Mangano, B.; Marionneau, M.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meinhard, M. T.; Meister, D.; Micheli, F.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrin, G.; Perrozzi, L.; Quittnat, M.; Rossini, M.; Schönenberger, M.; Starodumov, A.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.; Aarrestad, T. K.; Amsler, C.; Caminada, L.; Canelli, M. F.; De Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Ngadiuba, J.; Pinna, D.; Rauco, G.; Robmann, P.; Salerno, D.; Yang, Y.; Zucchetta, A.; Candelise, V.; Doan, T. H.; Jain, Sh.; Khurana, R.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Pozdnyakov, A.; Yu, S. S.; Kumar, Arun; Chang, P.; Chang, Y. H.; Chao, Y.; Chen, K. F.; Chen, P. H.; Fiori, F.; Hou, W.-S.; Hsiung, Y.; Liu, Y. F.; Lu, R.-S.; Miñano Moya, M.; Paganis, E.; Psallidas, A.; Tsai, J. f.; Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Damarseckin, S.; Demiroglu, Z. S.; Dozen, C.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Hos, I.; Kangal, E. E.; Kara, O.; Kayis Topaksu, A.; Kiminsu, U.; Oglakci, M.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Tali, B.; Turkcapar, S.; Zorbakir, I. S.; Zorbilmez, C.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.; Yetkin, T.; Cakir, A.; Cankocak, K.; Sen, S.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Seif El Nasr-storey, S.; Smith, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Di Maria, R.; Dunne, P.; Elwood, A.; Futyan, D.; Haddad, Y.; Hall, G.; Iles, G.; James, T.; Lane, R.; Laner, C.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mastrolorenzo, L.; Nash, J.; Nikitenko, A.; Pela, J.; Penning, B.; Pesaresi, M.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Summers, S.; Tapper, A.; Uchida, K.; Vazquez Acosta, M.; Virdee, T.; Wright, J.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.; Cooper, S. I.; Henderson, C.; Rumerio, P.; West, C.; Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.; Benelli, G.; Cutts, D.; Garabedian, A.; Hakala, J.; Heintz, U.; Hogan, J. M.; Jesus, O.; Kwok, K. H. M.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Spencer, E.; Syarif, R.; Breedon, R.; Burns, D.; Calderon De La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Flores, C.; Funk, G.; Gardner, M.; Ko, W.; Lander, R.; Mclean, C.; Mulhearn, M.; Pellett, D.; Pilot, J.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Bravo, C.; Cousins, R.; Dasgupta, A.; Florent, A.; Hauser, J.; Ignatenko, M.; Mccoll, N.; Saltzberg, D.; Schnaible, C.; Valuev, V.; Weber, M.; Bouvier, E.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Ghiasi Shirazi, S. M. A.; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Olmedo Negrete, M.; Paneva, M. I.; Shrinivas, A.; Si, W.; Wei, H.; Wimpenny, S.; Yates, B. R.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Derdzinski, M.; Gerosa, R.; Holzner, A.; Klein, D.; Krutelyov, V.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wood, J.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Amin, N.; Bhandari, R.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Franco Sevilla, M.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Heller, R.; Incandela, J.; Mullin, S. D.; Ovcharova, A.; Qu, H.; Richman, J.; Stuart, D.; Suarez, I.; Yoo, J.; Anderson, D.; Bendavid, J.; Bornheim, A.; Bunn, J.; Duarte, J.; Lawhorn, J. M.; Mott, A.; Newman, H. B.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.; Andrews, M. B.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Weinberg, M.; Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.; Winn, D.; Abdullin, S.; Albrow, M.; Apollinari, G.; Apresyan, A.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Cremonesi, M.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, M.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Ristori, L.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strait, J.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Wu, Y.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Low, J. F.; Ma, P.; Matchev, K.; Mei, H.; Mitselmakher, G.; Rank, D.; Shchutska, L.; Sperka, D.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, T.; Askew, A.; Bein, S.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Santra, A.; Yohay, R.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Noonan, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Jung, K.; Sandoval Gonzalez, I. D.; Varelas, N.; Wang, H.; Wu, Z.; Zakaria, M.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.; Al-bataineh, A.; Baringer, P.; Bean, A.; Boren, S.; Bowen, J.; Castle, J.; Forthomme, L.; Kenny, R. P.; Khalil, S.; Kropivnitskaya, A.; Majumder, D.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Tapia Takaki, J. D.; Wang, Q.; Wilson, G.; Ivanov, A.; Kaadze, K.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Ricci-Tam, F.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Abercrombie, D.; Allen, B.; Apyan, A.; Azzolini, V.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; D'Alfonso, M.; Demiragli, Z.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Maier, B.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bartek, R.; Bloom, K.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Malta Rodrigues, A.; Meier, F.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Bhattacharya, S.; Charaf, O.; Hahn, K. A.; Kumar, A.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Hurtado Anampa, K.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Wayne, M.; Wolf, M.; Woodard, A.; Alimena, J.; Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Winer, B. L.; Wulsin, H. W.; Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Lange, D.; Luo, J.; Marlow, D.; Medvedeva, T.; Mei, K.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Svyatkovskiy, A.; Tully, C.; Malik, S.; Barker, A.; Barnes, V. E.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Khatiwada, A.; Miller, D. H.; Neumeister, N.; Schulte, J. F.; Shi, X.; Sun, J.; Wang, F.; Xie, W.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Agapitos, A.; Chou, J. P.; Gershtein, Y.; Gómez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Kyriacou, S.; Lath, A.; Nash, K.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Delannoy, A. G.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Juska, E.; Kamon, T.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; De Guio, F.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Gurpinar, E.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Peltola, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Sturdy, J.; Belknap, D. A.; Buchanan, J.; Caillol, C.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

2017-04-01

A search is performed for electroweak production of a vector-like top quark partner T of charge 2/3 in association with a standard model top or bottom quark, using 2.3 fb-1 of proton-proton collision data at √{s}=13 TeV collected by the CMS experiment at the CERN LHC. The search targets T quarks decaying to a top quark and a Higgs boson in fully hadronic final states. For a T quark with mass above 1 TeV the daughter top quark and Higgs boson are highly Lorentz-boosted and can each appear as a single hadronic jet. Jet substructure and b tagging techniques are used to identify the top quark and Higgs boson jets, and to suppress the standard model backgrounds. An excess of events is searched for in the T quark candidate mass distribution in the data, which is found to be consistent with the expected backgrounds. Upper limits at 95% confidence level are set on the product of the single T quark production cross sections and the branching fraction B(T\\to tH) , and these vary between 0.31 and 0.93 pb for T quark masses in the range 1000-1800 GeV. This is the first search for single electroweak production of a vector-like T quark in fully hadronic final states. [Figure not available: see fulltext.

Search for electroweak production of a vector-like quark decaying to a top quark and a Higgs boson using boosted topologies in fully hadronic final states

DOE PAGES

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

2017-04-21

A search is performed for electroweak production of a vector-like top quark partner T of charge 2/3 in association with a standard model top or bottom quark, using 2.3 fb –1 of proton-proton collision data atmore » $$\\sqrt{s}$$ = 13 TeV collected by the CMS experiment at the CERN LHC. The search targets T quarks decaying to a top quark and a Higgs boson in fully hadronic final states. For a T quark with mass above 1 TeV the daughter top quark and Higgs boson are highly Lorentz-boosted and can each appear as a single hadronic jet. Jet substructure and b tagging techniques are used to identify the top quark and Higgs boson jets, and to suppress the standard model backgrounds. An excess of events is searched for in the T quark candidate mass distribution in the data, which is found to be consistent with the expected backgrounds. Upper limits at 95% confidence level are set on the product of the single T quark production cross sections and the branching fraction B(T → tH), and these vary between 0.31 and 0.93 pb for T quark masses in the range 1000-1800 GeV. Finally, this is the first search for single electroweak production of a vector-like T quark in fully hadronic final states.« less

Determination of layer-charge characteristics of smectites

USGS Publications Warehouse

Christidis, G.E.; Eberl, D.D.

2003-01-01

A new method for calculation of layer charge and charge distribution of smectites is proposed. The method is based on comparisons between X-ray diffraction (XRD) patterns of K-saturated, ethylene glycol-solvated, oriented samples and calculated XRD patterns for three-component, mixed-layer systems. For the calculated patterns it is assumed that the measured patterns can be modeled as random interstratifications of fully expanding 17.1 Å layers, partially expanding 13.5 Å layers and non-expanding 9.98 Å layers. The technique was tested using 29 well characterized smectites. According to their XRD patterns, smectites were classified as group 1 (low-charge smectites) and group 2 (high-charge smectites). The boundary between the two groups is at a layer charge of −0.46 equivalents per half unit-cell. Low-charge smectites are dominated by 17.1 Å layers, whereas high-charge smectites contain only 20% fully expandable layers on average. Smectite properties and industrial applications may be dictated by the proportion of 17.1 Å layers present. Non-expanding layers may control the behavior of smectites during weathering, facilitating the formation of illite layers after subsequent cycles of wetting and drying. The precision of the method is better than 3.5% at a layer charge of −0.50; therefore the method should be useful for basic research and for industrial purposes.

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.

Rechargeable Battery Auto-Cycler Requiring Lower Power and Dissipating Reduced Waste Heat

NASA Technical Reports Server (NTRS)

Hanson, Thomas David (Inventor)

2018-01-01

A battery charger system includes a power supply and a switch connected to the power supply wherein the switch has a first switch half and a second switch half. First and second batteries are selectively connected to the power supply via the switch. The first and second switch halves are moved between a plurality of operational positions to fully charge the first battery, discharge the first battery into the second battery, discharge the second battery into the first battery, and fully charge the second battery.

Graphene-Like-Graphite as Fast-Chargeable and High-Capacity Anode Materials for Lithium Ion Batteries.

PubMed

Cheng, Qian; Okamoto, Yasuharu; Tamura, Noriyuki; Tsuji, Masayoshi; Maruyama, Shunya; Matsuo, Yoshiaki

2017-11-01

Here we propose the use of a carbon material called graphene-like-graphite (GLG) as anode material of lithium ion batteries that delivers a high capacity of 608 mAh/g and provides superior rate capability. The morphology and crystal structure of GLG are quite similar to those of graphite, which is currently used as the anode material of lithium ion batteries. Therefore, it is expected to be used in the same manner of conventional graphite materials to fabricate the cells. Based on the data obtained from various spectroscopic techniques, we propose a structural GLG model in which nanopores and pairs of C-O-C units are introduced within the carbon layers stacked with three-dimensional regularity. Three types of highly ionic lithium ions are found in fully charged GLG and stored between its layers. The oxygen atoms introduced within the carbon layers seem to play an important role in accommodating a large amount of lithium ions in GLG. Moreover, the large increase in the interlayer spacing observed for fully charged GLG is ascribed to the migration of oxygen atoms within the carbon layer introduced in the state of C-O-C to the interlayer space maintaining one of the C-O bonds.

Vehicle Charging on the 29.036 and 29.037 Rockets of the EQUIS II Campaign.

NASA Astrophysics Data System (ADS)

Barjatya, A.; Swenson, C.; Fish, C.; Hummel, A.; Hysell, D.

2004-12-01

The rocket investigation "Scattering Layer in the Bottomside Equatorial F-region Ionosphere", was part of the NASA EQUIS II campaign. Two salvos of sounding rockets were launched from Roi Namur in Kwajalein on August 7th and 15th of 2004. The project's mission was to investigate the thin scattering layers in the post sunset equatorial F region ionosphere that act as precursors to a fully developed equatorial spread F. Each of the salvos consisted of one instrumented and two chemical release payloads. The instrumented rockets were launched westward into equatorial spread F precursor that was first observed from ground using the Altair radar. The instrumented rockets reached an apogee of ~450 km. The instruments consisted of a Sweeping Langmuir Probe (SLP), a fixed bias DC Probe (DCP), a Plasma Impedance Probe consisting of a Plasma Frequency Probe and a Plasma Sweeping Probe built at Utah State University. The instrument suite also included an Electric Field Probe built by Penn State University. This poster presents observations of vehicle charging and preliminary data from the SLP and DCP.

Perovskite Photovoltachromic Supercapacitor with All-Transparent Electrodes.

PubMed

Zhou, Feichi; Ren, Zhiwei; Zhao, Yuda; Shen, Xinpeng; Wang, Aiwu; Li, Yang Yang; Surya, Charles; Chai, Yang

2016-06-28

Photovoltachromic cells (PVCCs) are of great interest for the self-powered smart windows of architectures and vehicles, which require widely tunable transmittance and automatic color change under photostimuli. Organolead halide perovskite possesses high light absorption coefficient and enables thin and semitransparent photovoltaic device. In this work, we demonstrate co-anode and co-cathode photovoltachromic supercapacitors (PVCSs) by vertically integrating a perovskite solar cell (PSC) with MoO3/Au/MoO3 transparent electrode and electrochromic supercapacitor. The PVCSs provide a seamless integration of energy harvesting/storage device, automatic and wide color tunability, and enhanced photostability of PSCs. Compared with conventional PVCC, the counter electrodes of our PVCSs provide sufficient balancing charge, eliminate the necessity of reverse bias voltage for bleaching the device, and realize reasonable in situ energy storage. The color states of PVCSs not only indicate the amount of energy stored and energy consumed in real time, but also enhance the photostability of photovoltaic component by preventing its long-time photoexposure under fully charged state of PVCSs. This work designs PVCS devices for multifunctional smart window applications commonly made of glass.

Circuit for Full Charging of Series Lithium-Ion Cells

NASA Technical Reports Server (NTRS)

Ott, William E.; Saunders, David L.

2007-01-01

An advanced charger has been proposed for a battery that comprises several lithium-ion cells in series. The proposal is directed toward charging the cells in as nearly an optimum manner as possible despite unit-to-unit differences among the nominally identical cells. The particular aspect of the charging problem that motivated the proposal can be summarized as follows: During bulk charging (charging all the cells in series at the same current), the voltages of individual cells increase at different rates. Once one of the cells reaches full charge, bulk charging must be stopped, leaving other cells less than fully charged. To make it possible to bring all cells up to full charge once bulk charging has been completed, the proposed charger would include a number of top-off chargers one for each cell. The top-off chargers would all be powered from the same DC source, but their outputs would be DC-isolated from each other and AC-coupled to their respective cells by means of transformers, as described below. Each top-off charger would include a flyback transformer, an electronic switch, and an output diode. For suppression of undesired electromagnetic emissions, each top-off charger would also include (1) a resistor and capacitor configured to act as a snubber and (2) an inductor and capacitor configured as a filter. The magnetic characteristics of the flyback transformer and the duration of its output pulses determine the energy delivered to the lithium-ion cell. It would be necessary to equip the cell with a precise voltage monitor to determine when the cell reaches full charge. In response to a full-charge reading by this voltage monitor, the electronic switch would be held in the off state. Other cells would continue to be charged similarly by their top-off chargers until their voltage monitors read full charge.

Charge Islands Through Tunneling

NASA Technical Reports Server (NTRS)

Robinson, Daryl C.

2002-01-01

It has been recently reported that the electrical charge in a semiconductive carbon nanotube is not evenly distributed, but rather it is divided into charge "islands." This paper links the aforementioned phenomenon to tunneling and provides further insight into the higher rate of tunneling processes, which makes tunneling devices attractive. This paper also provides a basis for calculating the charge profile over the length of the tube so that nanoscale devices' conductive properties may be fully exploited.

Accelerator Technology Division: Annual Report FY 1990

DTIC Science & Technology

1991-05-01

new version of PARMTEQ that includes 3-D space - charge and image- charge effects in the Figure 2.4. Preliminary concept for the SSC RFQ Linac 25...developing a better space - charge model based on the work of Sachercr. We have successfully demonstrated the ability to include off-axis effects in...a way fully consistent with the space - charge forces. Modifying BEDLAM to include these effects will leave almost all of the code (the integrator

Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn2O4 spinel

NASA Astrophysics Data System (ADS)

Santos-Carballal, David; Ngoepe, Phuti E.; de Leeuw, Nora H.

2018-02-01

The spinel-structured lithium manganese oxide (LiMn2O4 ) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of the inversion thermodynamics and electronic behavior of LiMn2O4 derived from spin-polarized density functional theory calculations with a Hubbard Hamiltonian and long-range dispersion corrections (DFT+U-D3). Based on the analysis of the configurational free energy, we have elucidated a partially inverse equilibrium cation distribution for the LiMn2O4 spinel. This equilibrium degree of inversion is rationalized in terms of the crystal field stabilization effects and the difference between the size of the cations. We compare the atomic charges with the oxidation numbers for each degree of inversion. We found segregation of the Mn charge once these ions occupy the tetrahedral and octahedral sites of the spinel. We have obtained the atomic projections of the electronic band structure and density of states, showing that the normal LiMn2O4 has half-metallic properties, while the fully inverse spinel is an insulator. This material is in the ferrimagnetic state for the inverse and partially inverse cation arrangement. The optimized lattice and oxygen parameters, as well as the equilibrium degree of inversion, are in agreement with the available experimental data. The partial equilibrium degree of inversion is important in the interpretation of the lithium ion migration and surface properties of the LiMn2O4 spinel.

Topological gapped edge states in fractional quantum Hall-superconductor heterostructures

NASA Astrophysics Data System (ADS)

Cook, Ashley; Repellin, Cécile; Regnault, Nicolas; Neupert, Titus

We propose and implement a numerical setup for studying edge states of fractional quantum Hall droplets with a superconducting instability. We focus on a time-reversal symmetric bilayer fractional quantum Hall system of Laughlin ν = 1 / 3 states. The fully gapped edges carry a topological parafermionic degree of freedom that can encode quantum information protected against local perturbations. We numerically simulate such a system using exact diagonalization by restricting the calculation to the Laughlin quasihole subspace. We study the quantization of the total charge on each edge and show that the ground states are permuted by spin flux insertion and the parafermionic Josephson effect, evidencing their topological nature and the Cooper pairing of fractionalized quasiparticles. The full affiliation for Author 3 is: Laboratoire Pierre Aigrain, Ecole Normale Supérieure-PSL Research University, CNRS, Université Pierre et Marie Curie-Sorbonne Universités, Université Paris Diderot-Sorbonne Paris Cité, 24 rue Lhomond, 75231 Paris.

Ohm's law in the fast lane: general relatiivistic charge dynamics

NASA Technical Reports Server (NTRS)

Meier, D.

2004-01-01

Fully relativistic and causal equations for the flow of charge in curved spacetime are derived. It is believed that this is the first set of equations to be published that correctly describes the flow of charge, as well as the evolution of the electromagnetic field, in highly dynamical relativistic environments on timescales much shorter than the collapse time (GM/c3).

Method and apparatus for simultaneous detection and measurement of charged particles at one or more levels of particle flux for analysis of same

DOEpatents

Denton, M Bonner [Tucson, AZ; Sperline, Roger , Koppenaal, David W. , Barinaga, Charles J. , Hieftje, Gary , Barnes, IV, James H.; Atlas, Eugene [Irvine, CA

2009-03-03

A charged particle detector and method are disclosed providing for simultaneous detection and measurement of charged particles at one or more levels of particle flux in a measurement cycle. The detector provides multiple and independently selectable levels of integration and/or gain in a fully addressable readout manner.

Visible-regime polarimetric imager: a fully polarimetric, real-time imaging system.

PubMed

Barter, James D; Thompson, Harold R; Richardson, Christine L

2003-03-20

A fully polarimetric optical camera system has been constructed to obtain polarimetric information simultaneously from four synchronized charge-coupled device imagers at video frame rates of 60 Hz and a resolution of 640 x 480 pixels. The imagers view the same scene along the same optical axis by means of a four-way beam-splitting prism similar to ones used for multiple-imager, common-aperture color TV cameras. Appropriate polarizing filters in front of each imager provide the polarimetric information. Mueller matrix analysis of the polarimetric response of the prism, analyzing filters, and imagers is applied to the detected intensities in each imager as a function of the applied state of polarization over a wide range of linear and circular polarization combinations to obtain an average polarimetric calibration consistent to approximately 2%. Higher accuracies can be obtained by improvement of the polarimetric modeling of the splitting prism and by implementation of a pixel-by-pixel calibration.

A Measurement of the Charged and Neutral B Meson Lifetimes Using Fully Reconstructed Decays

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

Barrera, Barbara

Data collected with the BABAR detector at the PEP-II asymmetric B Factory at SLAC are used to study the lifetimes of the B{sup 0} and B{sup +} mesons. The data sample consists of 7.4 fb{sup -1} collected near the {Upsilon}(4S) resonance. B{sup 0} and B{sup +} mesons are fully reconstructed in several exclusive hadronic decay modes to charm and charmonium final states. The B lifetimes are determined from the flight length difference between the two B mesons which are pair-produced in the {Upsilon}(4S) decay. The preliminary measurements of the lifetimes are {tau}B{sup 0} = 1.506 {+-} 0.052 (stat) {+-} 0.029more » (syst) ps, {tau}B{sup +} = 1.602 {+-} 0.049 (stat) {+-} 0.035 (syst) ps, and of their ratio is {tau}B{sup +}/{tau}B{sup 0} = 1.065 {+-} 0.044 (stat) {+-} 0.021 (syst).« less

A Measurement of the Charged and Neutral B Meson Lifetimes Using Fully Reconstructed Decays

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

Barrera, Barbara

Data collected with the BABAR detector at the PEP-II asymmetric B Factory at SLAC are used to study the lifetimes of the B{sup 0} and B{sup +} mesons. The data sample consists of 7.4 fb{sup {minus}1} collected near the Upsilon(4S) resonance. B{sup 0} and B{sup +} mesons are fully reconstructed in several exclusive hadronic decay modes to charm and charmonium final states. The B lifetimes are determined from the flight length difference between the two B mesons which are pair-produced in the Upsilon(4S) decay. The preliminary measurements of the lifetimes are tau{sub B0} = 1.506 {+-} 0.052 (stat) {+-} 0.029more » (syst) ps, tau{sub B+} = 1.602 {+-} 0.049 (stat) {+-} 0.035 (syst) ps, and of their ratio is tau{sub B+}/tau{sub B0} = 1.065 {+-} 0.044 (stat) {+-} 0.021 (syst).« less

Performance of a 12-coil superconducting bumpy torus magnet facility

NASA Technical Reports Server (NTRS)

Roth, J. R.; Holmes, A. D.; Keller, T. A.; Krawczonek, W. M.

1972-01-01

The bumpy torus facility consists of 12 superconducting coils, each 19 cm i.d. and capable of 3.0 teslas on their axes. The coils are equally spaced around a toroidal array with a major diameter of 1.52 m, and are mounted with the major axis of the torus vertical in a single vacuum tank 2.6 m in diameter. Final shakedown tests of the facility mapped out its magnetic, cryogenic, vacuum, mechanical, and electrical performance. The facility is now ready for use as a plasma physics research facility. A maximum magnetic field on the magnetic axis of 3.23 teslas was held for a period of more than sixty minutes without a coil normalcy. The design field was 3.00 teslas. The steady-state liquid helium boil-off rate was 87 liters per hour of liquid helium without the coils charged. The coil array was stable when subjected to an impulsive loading, even with the magnets fully charged. When the coils were charged to a maximum magnetic field of 3.35 teslas, the system was driven normal without damage.

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

Jadidian, Jouya; Zahn, Markus; Lavesson, Nils

Streamer branching in liquid dielectrics is driven by stochastic and deterministic factors. The presence of stochastic causes of streamer branching such as inhomogeneities inherited from noisy initial states, impurities, or charge carrier density fluctuations is inevitable in any dielectric. A fully three-dimensional streamer model presented in this paper indicates that deterministic origins of branching are intrinsic attributes of streamers, which in some cases make the branching inevitable depending on shape and velocity of the volume charge at the streamer frontier. Specifically, any given inhomogeneous perturbation can result in streamer branching if the volume charge layer at the original streamer headmore » is relatively thin and slow enough. Furthermore, discrete nature of electrons at the leading edge of an ionization front always guarantees the existence of a non-zero inhomogeneous perturbation ahead of the streamer head propagating even in perfectly homogeneous dielectric. Based on the modeling results for streamers propagating in a liquid dielectric, a gauge on the streamer head geometry is introduced that determines whether the branching occurs under particular inhomogeneous circumstances. Estimated number, diameter, and velocity of the born branches agree qualitatively with experimental images of the streamer branching.« less

X-ray Spectroscopic Characterization of Plasma for a Charged-Particle Energy-Loss Experiment

NASA Astrophysics Data System (ADS)

Hoffman, Nm; Lee, Cl; Wilson, Dc; Barnes, Cris W.; Petrasso, Rd; Li, C.; Hicks, D.

2000-10-01

We are pursuing an approach to a charged-particle energy-loss experiment in which charged fusion products from an imploded ICF capsule travel through a well characterized, spatially separate plasma. For this purpose, a fully ionized, uniform, nearly steady-state carbon-hydrogen plasma will be created by laser irradiation of a plastic foil. The temperature and density structure of this plasma must be determined accurately in order to relate observed energy losses to predictions of theory. Various methods for diagnosing the plasma are possible, including Thomson scattering. Alternatively, if a small admixture of higher-Z material such as chlorine is included in the plastic, x-ray spectroscopic techniques will allow the plasma's temperature and density to be determined. Electron temperature is inferred from the ratios of line strengths of various chlorine ion stages, while electron density is determined from the spectra of lithium-like satellite lines near the He beta line of helium-like chlorine. We present results from detailed-configuration accounting (DCA) models of line emission from C+H+Cl plasmas, and estimate the accuracy with which such plasmas can be characterized.

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.

Ion heat transport in improved confinement MST plasmas

NASA Astrophysics Data System (ADS)

Xing, Zichuan; Nornberg, Mark; den Hartog, Daniel J.; Kumar, Santhosh; Anderson, Jay K.

2016-10-01

Ion power balance in improved confinement (PPCD) plasmas in MST is dominated by electron collisional heating balanced by charge exchange transport. Neoclassical effects on ions in the RFP are inherently small and PPCD plasmas have reduced turbulence and stochasticity. Thus PPCD plasmas provide a good starting point for a transport model developed to account for collisional equilibration between species, classical conductive energy transport, and energy loss due to charge exchange collisions. This model also allows a possible noncollisional anomalous term to be isolated for study, and correlations between residual magnetic fluctuations during PPCD plasmas and anomalous heating and transport will be investigated. Recent modeling with DEGAS2 Monte Carlo neutral simulation suggests higher core neutral temperature than previously estimated with more simplistic assumptions. However, the working model does not fully account for the electron density increase in the core during PPCD, which is higher than expected from classical particle transport, and neutral and impurity ionization. Other possible mechanisms are considered and analyzed, including more complex impurity charge-state balance and pinch effects. Work supported by the US DOE. DEGAS2 is provided by PPPL.

Evolution of Nanowire Transmon Qubits and Their Coherence in a Magnetic Field

NASA Astrophysics Data System (ADS)

Luthi, F.; Stavenga, T.; Enzing, O. W.; Bruno, A.; Dickel, C.; Langford, N. K.; Rol, M. A.; Jespersen, T. S.; Nygârd, J.; Krogstrup, P.; DiCarlo, L.

2018-03-01

We present an experimental study of flux- and gate-tunable nanowire transmons with state-of-the-art relaxation time allowing quantitative extraction of flux and charge noise coupling to the Josephson energy. We evidence coherence sweet spots for charge, tuned by voltage on a proximal side gate, where first order sensitivity to switching two-level systems and background 1 /f noise is minimized. Next, we investigate the evolution of a nanowire transmon in a parallel magnetic field up to 70 mT, the upper bound set by the closing of the induced gap. Several features observed in the field dependence of qubit energy relaxation and dephasing times are not fully understood. Using nanowires with a thinner, partially covering Al shell will enable operation of these circuits up to 0.5 T, a regime relevant for topological quantum computation and other applications.

Lead-acid batteries in micro-hybrid applications. Part I. Selected key parameters

NASA Astrophysics Data System (ADS)

Schaeck, S.; Stoermer, A. O.; Kaiser, F.; Koehler, L.; Albers, J.; Kabza, H.

Micro-hybrid electric vehicles were launched by BMW in March 2007. These are equipped with brake energy regeneration (BER) and the automatic start and stop function (ASSF) of the internal combustion engine. These functions are based on common 14 V series components and lead-acid (LA) batteries. The novelty is given by the intelligent onboard energy management, which upgrades the conventional electric system to the micro-hybrid power system (MHPS). In part I of this publication the key factors for the operation of LA batteries in the MHPS are discussed. Especially for BER one is high dynamic charge acceptance (DCA) for effective boost charging. Vehicle rest time is identified as a particular negative parameter for DCA. It can be refreshed by regular fully charging at elevated charge voltage. Thus, the batteries have to be outstandingly robust against overcharge and water loss. This can be accomplished for valve-regulated lead-acid (VRLA) batteries at least if they are mounted in the trunk. ASSF goes along with frequent high-rate loads for warm cranking. The internal resistance determines the drop of the power net voltage during cranking and is preferably low for reasons of power net stability even after years of operation. Investigations have to be done with aged 90 Ah VRLA-absorbent glass mat (AGM) batteries. Battery operation at partial state-of-charge gives a higher risk of deep discharging (overdischarging). Subsequent re-charging then is likely to lead to the formation of micro-short circuits in the absorbent glass mat separator.

Mott glass from localization and confinement

NASA Astrophysics Data System (ADS)

Chou, Yang-Zhi; Nandkishore, Rahul M.; Radzihovsky, Leo

2018-05-01

We study a system of fermions in one spatial dimension with linearly confining interactions and short-range disorder. We focus on the zero-temperature properties of this system, which we characterize using bosonization and the Gaussian variational method. We compute the static compressibility and ac conductivity, and thereby demonstrate that the system is incompressible, but exhibits gapless optical conductivity. This corresponds to a "Mott glass" state, distinct from an Anderson and a fully gapped Mott insulator, arising due to the interplay of disorder and charge confinement. We argue that this Mott glass phenomenology should persist to nonzero temperatures.

Penetration of analogues of H2O and CO2 in proteins studied by room temperature phosphorescence of tryptophan.

PubMed

Wright, W W; Owen, C S; Vanderkooi, J M

1992-07-21

The influence of the protein matrix on the reactivity of external molecules with a species buried within the protein interior is considered in two general ways: (1) there may be structural fluctuations that allow for the diffusive penetration of the small molecules and/or (2) the external molecule may react over a distance. As a means to study the protein matrix, a reactive species within the protein can be formed by exciting tryptophan to the triplet state, and then the reaction of the triplet-state molecule with an external molecule can be monitored by a decrease in phosphorescence. In this work, the quenching ability (i.e., reactivity) was examined for H2S, CS2, and NO2- acting on tryptophan phosphorescence in parvalbumin, azurin, horse liver alcohol dehydrogenase, and alkaline phosphatase. A comparison of charged versus uncharged quenchers (H2S vs SH- and CS2 vs NO2-) reveals that the uncharged molecules are much more effective than charged species in quenching the phosphorescence of fully buried tryptophan, whereas the quenching for exposed tryptophan is relatively independent of the charge of the quencher. This is consistent with the view that uncharged triatomic molecules can penetrate the protein matrix to some extent. The energies of activation of the quenching reaction are low for the charged quenchers and higher for the uncharged CS2. A model is presented in which the quenchability of a buried tryptophan is inversely related to the distance from the surface when diffusion through the protein is the rate-limiting step.(ABSTRACT TRUNCATED AT 250 WORDS)

Studies of the aggregation of mutant proteins in vitro provide insights into the genetics of amyloid diseases.

PubMed

Chiti, Fabrizio; Calamai, Martino; Taddei, Niccolo; Stefani, Massimo; Ramponi, Giampietro; Dobson, Christopher M

2002-12-10

Protein aggregation and the formation of highly insoluble amyloid structures is associated with a range of debilitating human conditions, which include Alzheimer's disease, Parkinson's disease, and the Creutzfeldt-Jakob disease. Muscle acylphosphatase (AcP) has already provided significant insights into mutational changes that modulate amyloid formation. In the present paper, we have used this system to investigate the effects of mutations that modify the charge state of a protein without affecting significantly the hydrophobicity or secondary structural propensities of the polypeptide chain. A highly significant inverse correlation was found to exist between the rates of aggregation of the protein variants under denaturing conditions and their overall net charge. This result indicates that aggregation is generally favored by mutations that bring the net charge of the protein closer to neutrality. In light of this finding, we have analyzed natural mutations associated with familial forms of amyloid diseases that involve alteration of the net charge of the proteins or protein fragments associated with the diseases. Sixteen mutations have been identified for which the mechanism of action that causes the pathological condition is not yet known or fully understood. Remarkably, 14 of these 16 mutations cause the net charge of the corresponding peptide or protein that converts into amyloid deposits to be reduced. This result suggests that charge has been a key parameter in molecular evolution to ensure the avoidance of protein aggregation and identifies reduction of the net charge as an important determinant in at least some forms of protein deposition diseases.

David Norris with Ford Focus electric cars

NASA Image and Video Library

2017-09-29

David Norris, Marshall transportation specialist, stands alongside two new, fully electric cars capable of traveling approximately 115 miles on a 5 1/2-hour charge using Marshall's 240-volt charging station. The electric cars join five "green" vehicles in use at Marshall since spring 2016.

Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells

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

Wu, Qinghe; Zhao, Donglin; Goldey, Matthew B.

Two types of electron acceptors were synthesized by coupling two kinds of electron-rich cores with four equivalent perylene diimides (PDIs) at the a position. With fully aromatic cores, TPB and TPSe have pi-orbitals spread continuously over the whole aromatic conjugated backbone, unlike TPC and TPSi, which contain isolated PDI units due to the use of a tetrahedron carbon or silicon linker. Density functional theory calculations of the projected density of states showed that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) for TPB are localized in separate regions of space. Further, the LUMO of TPB showsmore » a greater contribution from the orbitals belonging to the connective core of the molecules than that of TPC. Overall, the properties of the HOMO and LUMO point at increased intra-molecular delocalization of negative charge carriers for TPB and TPSe than for TPC and TPSi and hence at a more facile intra-molecular charge transfer for the former. The film absorption and emission spectra showed evidences for the inter -molecular electron delocalization in TPB and TPSe, which is consistent with the network structure revealed by X-ray diffraction studies on single crystals of TPB. These features benefit the formation of charge transfer states and/or facilitate charge transport. Thus, higher electron mobility and higher charge dissociation probabilities under J(sc) condition were observed in blend films of TPB:PTB7-Th and TPSe:PTB7-Th than those in TPC:PTB7Th and TPSi:PTB7-Th blend films. As a result, the J(sc) and fill factor values of 15.02 mA/cm(2), 0.58 and 14.36 mA/cm(2), 0.55 for TPB- and TPSe-based solar cell are observed, whereas those for TPC and TPSi are 11.55 mA/cm2, 0.47 and 10.35 mA/cm(2), 0.42, respectively.« less

Search for charged Higgs bosons decaying via H ± → τ ± ν in fully hadronic final states using pp collision data at s $$ \\sqrt{s} $$ = 8 TeV with the ATLAS detector

DOE PAGES

Aad, G.; Abbott, B.; Abdallah, J.; ...

2015-03-17

The results of a search for charged Higgs bosons decaying to a τ lepton and a neutrino, H ± → τ ± ν, are presented. The analysis is based on 19.5 fb –1 of proton-proton collision data at √s = 8 TeV collected by the ATLAS experiment at the Large Hadron Collider. Charged Higgs bosons are searched for in events consistent with top-quark pair production or in associated production with a top quark, depending on the considered H ± mass. The final state is characterized by the presence of a hadronic τ decay, missing transverse momentum, b-tagged jets, amore » hadronically decaying W boson, and the absence of any isolated electrons or muons with high transverse momenta. The data are consistent with the expected background from Standard Model processes. A statistical analysis leads to 95% confidence-level upper limits on the product of branching ratios Β(t → bH ±) × Β(H ± → τ ± ν), between 0.23% and 1.3% for charged Higgs boson masses in the range 80-160GeV. It also leads to 95% confidence-level upper limits on the production cross section times branching ratio, σ(pp → tH ±+ X) × Β(H ± → τ ± ν), between 0.76 pb and 4.5 fb, for charged Higgs boson masses ranging from 180 GeV to 1000 GeV. In the context of different scenarios of the Minimal Supersymmetric Standard Model, these results exclude nearly all values of tan β above one for charged Higgs boson masses between 80 GeV and 160 GeV, and exclude a region of parameter space with high tan β for H ± masses between 200 GeV and 250 GeV.« less

SU-F-J-202: Secondary Radiation Measurements for Charged Particle Therapy Monitoring: Fragmentation of Therapeutic He, C and O Ion Beams Impinging On a PMMA Target

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

Rucinski, A; Mancini-Terracciano, C; Paramatti, R

Purpose: In Charged Particle Therapy (CPT), besides protons, there has been recently a growing interest in 4He, 12C and 16O beams. The secondary radiation produced in the interaction of those beams with a patient could be potentially used for on-line monitoring of range uncertainties in order to fully exploit the advantages of those light ions resulting from increased Radio Biological Effectiveness, reduced multiple scattering and Oxygen Enhancement Ratio. The study and precise characterization of secondary radiation (beta+, prompt gamma, charged fragments) is the cornerstone of any R&D activity aiming for online monitoring development and purpose of the analysis presented here.more » Methods: We present the measurements of the secondary radiation generated by He, C and O beams impinging on a beam stopping PMMA target. The data has been collected at the Heidelberg Ionbeam Therapy center (HIT), where several millions of collisions were recorded at different energies, relevant for therapeutical applications. Results: The experimental setup, as well as the analysis strategies will be reviewed. The detected particle fluxes as a function of the primary beam energy and the emission angle with respect to the beam direction will be presented and compared to the results of other available measurements. In addition, the energy spectra and emission shapes of charged secondary particles will be shown and discussed in the context of the primary beam range monitoring technique that is being developed by the ARPG collaboration, within the INSIDE project funded by the Italian research ministry. The implications for dose monitoring applications will be discussed, in the context of the current (or planned) state-of- the-art detector solutions. Conclusion: The characterization of the radiation produced by 12C, 4He and 16O beams fully supports the feasibility of on-line range monitoring in the clinical practice of CPT by means of secondary particles detection.« less

Search for pair-produced vectorlike B quarks in proton-proton collisions at √{s }=8 TeV

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Knünz, V.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; de Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Ochesanu, S.; Rougny, R.; van de Klundert, M.; van Haevermaet, H.; van Mechelen, P.; van Remortel, N.; van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; de Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; van Doninck, W.; van Mulders, P.; van Onsem, G. P.; van Parijs, I.; Barria, P.; Caillol, C.; Clerbaux, B.; de Lentdecker, G.; Delannoy, H.; Dobur, D.; Fasanella, G.; Favart, L.; Gay, A. P. R.; Grebenyuk, A.; Lenzi, T.; Léonard, A.; Maerschalk, T.; Mohammadi, A.; Perniè, L.; Randle-Conde, A.; Reis, T.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Yonamine, R.; Zenoni, F.; Zhang, F.; Beernaert, K.; Benucci, L.; Cimmino, A.; Crucy, S.; Fagot, A.; Garcia, G.; Gul, M.; McCartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva, S.; Sigamani, M.; Strobbe, N.; Tytgat, M.; van Driessche, W.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bondu, O.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; da Silveira, G. G.; Delaere, C.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Mertens, A.; Nuttens, C.; Perrini, L.; Pin, A.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Beliy, N.; Caebergs, T.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Dos Reis Martins, T.; Hensel, C.; Mora Herrera, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; da Costa, E. M.; de Jesus Damiao, D.; de Oliveira Martins, C.; Fonseca de Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; de Souza Santos, A.; Dogra, S.; Tomei, T. R. Fernandez Perez; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Genchev, V.; Hadjiiska, R.; Iaydjiev, P.; Marinov, A.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Zou, W.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Bodlak, M.; Finger, M.; Finger, M.; Aly, R.; Aly, S.; Assran, Y.; Elgammal, S.; Ellithi Kamel, A.; Lotfy, A.; Mahmoud, M. A.; Radi, A.; Sayed, A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Dahms, T.; Davignon, O.; Filipovic, N.; Florent, A.; Granier de Cassagnac, R.; Lisniak, S.; Mastrolorenzo, L.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Merlin, J. A.; Skovpen, K.; van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Bouvier, E.; Brochet, S.; Carrillo Montoya, C. A.; Chasserat, J.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Ruiz Alvarez, J. D.; Sabes, D.; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.; Toriashvili, T.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Edelhoff, M.; Feld, L.; Heister, A.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Ostapchuk, A.; Preuten, M.; Raupach, F.; Sammet, J.; Schael, S.; Schulte, J. F.; Verlage, T.; Weber, H.; Wittmer, B.; Zhukov, V.; Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Millet, P.; Olschewski, M.; Padeken, K.; Papacz, P.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Cherepanov, V.; Erdogan, Y.; Flügge, G.; Geenen, H.; Geisler, M.; Haj Ahmad, W.; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Künsken, A.; Lingemann, J.; Nehrkorn, A.; Nowack, A.; Nugent, I. M.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Asin, I.; Bartosik, N.; Behnke, O.; Behrens, U.; Bell, A. J.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Gunnellini, P.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Korol, I.; Lange, W.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Nayak, A.; Ntomari, E.; Perrey, H.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Ribeiro Cipriano, P. M.; Roland, B.; Sahin, M. Ö.; Salfeld-Nebgen, J.; Saxena, P.; Schoerner-Sadenius, T.; Schröder, M.; Seitz, C.; Spannagel, S.; Trippkewitz, K. D.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Erfle, J.; Garutti, E.; Goebel, K.; Gonzalez, D.; Görner, M.; Haller, J.; Hoffmann, M.; Höing, R. S.; Junkes, A.; Klanner, R.; Kogler, R.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Nowatschin, D.; Ott, J.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Pietsch, N.; Poehlsen, J.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schwandt, J.; Seidel, M.; Sola, V.; Stadie, H.; Steinbrück, G.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Akbiyik, M.; Amstutz, C.; Barth, C.; Baus, C.; Berger, J.; Beskidt, C.; Böser, C.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; de Boer, W.; Descroix, A.; Dierlamm, A.; Eber, R.; Feindt, M.; Fink, S.; Fischer, M.; Frensch, F.; Freund, B.; Friese, R.; Funke, D.; Giffels, M.; Gilbert, A.; Haitz, D.; Harbaum, T.; Harrendorf, M. A.; Hartmann, F.; Husemann, U.; Kassel, F.; Katkov, I.; Kornmayer, A.; Kudella, S.; Lobelle Pardo, P.; Maier, B.; Mildner, H.; Mozer, M. U.; Müller, T.; Müller, Th.; Plagge, M.; Printz, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Markou, A.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Bencze, G.; Hajdu, C.; Hazi, A.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Szillasi, Z.; Bartók, M.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Mal, P.; Mandal, K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Nishu, N.; Singh, J. B.; Walia, G.; Kumar, Ashok; Kumar, Arun; Bhardwaj, A.; Choudhary, B. C.; Garg, R. B.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, R.; Sharma, V.; Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dey, S.; Dutta, S.; Jain, Sa.; Jain, Sh.; Khurana, R.; Majumdar, N.; Modak, A.; Mondal, K.; Mukherjee, S.; Mukhopadhyay, S.; Roy, A.; Roy, D.; Roy Chowdhury, S.; Sarkar, S.; Sharan, M.; Abdulsalam, A.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Mahakud, B.; Maity, M.; Majumder, G.; Mazumdar, K.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sarkar, T.; Sudhakar, K.; Sur, N.; Sutar, B.; Wickramage, N.; Sharma, S.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Caputo, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; Cristella, L.; de Filippis, N.; de Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Viliani, L.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Calvelli, V.; Ferro, F.; Lo Vetere, M.; Robutti, E.; Tosi, S.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Malvezzi, S.; Manzoni, R. A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; di Guida, S.; Esposito, M.; Fabozzi, F.; Iorio, A. O. M.; Lanza, G.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Carvalho Antunes de Oliveira, A.; Checchia, P.; Dall'Osso, M.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Simonetto, F.; Torassa, E.; Tosi, M.; Ventura, S.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Braghieri, A.; Gabusi, M.; Magnani, A.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Foà, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Barone, L.; Cavallari, F.; D'Imperio, G.; Del Re, D.; Diemoz, M.; Gelli, S.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Traczyk, P.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Costa, M.; Covarelli, R.; de Remigis, P.; Degano, A.; Demaria, N.; Finco, L.; Mariotti, C.; Maselli, S.; Mazza, G.; Migliore, E.; Monaco, V.; Monteil, E.; Musich, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. L.; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.; Zanetti, A.; Chang, S.; Kropivnitskaya, A.; Nam, S. K.; Kim, D. H.; Kim, G. N.; Kim, M. S.; Kong, D. J.; Lee, S.; Oh, Y. D.; Sakharov, A.; Son, D. C.; Brochero Cifuentes, J. A.; Kim, H.; Kim, T. J.; Ryu, M. S.; Song, S.; Choi, S.; Go, Y.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, Y.; Lee, B.; Lee, K.; Lee, K. S.; Lee, S.; Park, S. K.; Roh, Y.; Yoo, H. D.; Choi, M.; Kim, J. H.; Lee, J. S. H.; Park, I. C.; Ryu, G.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Yu, I.; Juodagalvis, A.; Vaitkus, J.; Ahmed, I.; Ibrahim, Z. A.; Komaragiri, J. R.; Md Ali, M. A. B.; Mohamad Idris, F.; Wan Abdullah, W. A. T.; Casimiro Linares, E.; Castilla-Valdez, H.; de La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Sanchez-Hernandez, A.; Carrillo Moreno, S.; Vazquez Valencia, F.; Carpinteyro, S.; Pedraza, I.; Salazar Ibarguen, H. A.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Reucroft, S.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Khurshid, T.; Shoaib, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.; Brona, G.; Bunkowski, K.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Walczak, M.; Bargassa, P.; Beirão da Cruz E Silva, C.; di Francesco, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.; Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Vlasov, E.; Zhokin, A.; Bylinkin, A.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.; Baskakov, A.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Myagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; de La Cruz, B.; Delgado Peris, A.; Domínguez Vázquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernández Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro de Martino, E.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Albajar, C.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Palencia Cortezon, E.; Vizan Garcia, J. M.; Cabrillo, I. J.; Calderon, A.; Castiñeiras de Saa, J. R.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodríguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Berruti, G. M.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Colafranceschi, S.; D'Alfonso, M.; D'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; de Gruttola, M.; de Guio, F.; de Roeck, A.; de Visscher, S.; di Marco, E.; Dobson, M.; Dordevic, M.; Du Pree, T.; Dupont, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Hansen, M.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Kortelainen, M. J.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenço, C.; Lucchini, M. T.; Magini, N.; Malgeri, L.; Mannelli, M.; Marrouche, J.; Martelli, A.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Nemallapudi, M. V.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Piparo, D.; Racz, A.; Rolandi, G.; Rovere, M.; Ruan, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Sharma, A.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Wöhri, H. K.; Zagozdzinska, A.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Dissertori, G.; Dittmar, M.; Donegà, M.; Dünser, M.; Eller, P.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lustermann, W.; Mangano, B.; Marini, A. C.; Marionneau, M.; Martinez Ruiz Del Arbol, P.; Masciovecchio, M.; Meister, D.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrozzi, L.; Peruzzi, M.; Quittnat, M.; Rossini, M.; Starodumov, A.; Takahashi, M.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.; Weber, H. A.; Aarrestad, T. K.; Amsler, C.; Canelli, M. F.; Chiochia, V.; de Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Salerno, D.; Taroni, S.; Yang, Y.; Cardaci, M.; Chen, K. H.; Doan, T. H.; Ferro, C.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.; Bartek, R.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Grundler, U.; Hou, W.-S.; Hsiung, Y.; Kao, K. Y.; Liu, Y. F.; Lu, R.-S.; Miñano Moya, M.; Petrakou, E.; Tsai, J. F.; Tzeng, Y. M.; Asavapibhop, B.; Kovitanggoon, K.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Cerci, S.; Dozen, C.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Kayis Topaksu, A.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Tali, B.; Topakli, H.; Vergili, M.; Zorbilmez, C.; Akin, I. V.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Surat, U. E.; Yalvac, M.; Zeyrek, M.; Albayrak, E. A.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, T.; Cankocak, K.; Sen, S.; Vardarlı, F. I.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Seif El Nasr-Storey, S.; Senkin, S.; Smith, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Thomas, L.; Tomalin, I. R.; Williams, T.; Womersley, W. J.; Worm, S. D.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Cripps, N.; Dauncey, P.; Davies, G.; de Wit, A.; Della Negra, M.; Dunne, P.; Elwood, A.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A.; Uchida, K.; Vazquez Acosta, M.; Virdee, T.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Borzou, A.; Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Pastika, N.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.; Avetisyan, A.; Bose, T.; Fantasia, C.; Gastler, D.; Lawson, P.; Rankin, D.; Richardson, C.; Rohlf, J.; St. John, J.; Sulak, L.; Zou, D.; Alimena, J.; Berry, E.; Bhattacharya, S.; Cutts, D.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Sagir, S.; Sinthuprasith, T.; Breedon, R.; Breto, G.; Calderon de La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Saltzberg, D.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Ivova Paneva, M.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Olmedo Negrete, M.; Shrinivas, A.; Sumowidagdo, S.; Wei, H.; Wimpenny, S.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; MacNeill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Welke, C.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Incandela, J.; Justus, C.; McColl, N.; Mullin, S. D.; Richman, J.; Stuart, D.; Suarez, I.; To, W.; West, C.; Yoo, J.; Anderson, D.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Gaz, A.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Nauenberg, U.; Smith, J. G.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Sun, W.; Tan, S. M.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Wittich, P.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Hu, Z.; Jindariani, S.; Johnson, M.; Joshi, U.; Jung, A. W.; Klima, B.; Kreis, B.; Kwan, S.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes de Sá, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Martinez Outschoorn, V. I.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Whitbeck, A.; Yang, F.; Yin, H.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Low, J. F.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rank, D.; Shchutska, L.; Snowball, M.; Sperka, D.; Wang, S.; Yelton, J.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.; Bhopatkar, V.; Hohlmann, M.; Kalakhety, H.; Mareskas-Palcek, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Sandoval Gonzalez, I. D.; Silkworth, C.; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tan, P.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Nash, K.; Osherson, M.; Swartz, M.; Xiao, M.; Xin, Y.; Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Gray, J.; Kenny, R. P.; Majumder, D.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Wang, Q.; Wood, J. S.; Chakaberia, I.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.; Toda, S.; Lange, D.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Baty, A.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; McGinn, C.; Niu, X.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Sumorok, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Dahmes, B.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Monroy, J.; Ratnikov, F.; Siado, J. E.; Snow, G. R.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira de Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Zhang, J.; Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Trovato, M.; Velasco, M.; Won, S.; Brinkerhoff, A.; Dev, N.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Pearson, T.; Planer, M.; Ruchti, R.; Smith, G.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Liu, B.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Malik, S.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Miller, D. H.; Neumeister, N.; Primavera, F.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Hindrichs, O.; Khukhunaishvili, A.; Petrillo, G.; Verzetti, M.; Demortier, L.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Lath, A.; Panwalkar, S.; Park, M.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Foerster, M.; Riley, G.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Dalchenko, M.; de Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Krutelyov, V.; Montalvo, R.; Mueller, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wolfe, E.; Wood, J.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Christian, A.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Gomber, B.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Ruggles, T.; Sarangi, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.; Cms Collaboration

2016-06-01

A search for the production of a heavy B quark, having electric charge -1 /3 and vector couplings to W , Z , and H bosons, is carried out using proton-proton collision data recorded at the CERN LHC by the CMS experiment, corresponding to an integrated luminosity of 19.7 fb-1 . The B quark is assumed to be pair produced and to decay in one of three ways: to t W , b Z , or b H . The search is carried out in final states with one, two, and more than two charged leptons, as well as in fully hadronic final states. Each of the channels in the exclusive final-state topologies is designed to be sensitive to specific combinations of the B quark-antiquark pair decays. The observed event yields are found to be consistent with the standard model expectations in all the final states studied. A statistical combination of these results is performed, and upper limits are set on the cross section of the strongly produced B quark-antiquark pairs as a function of the B quark mass. Lower limits on the B quark mass between 740 and 900 GeV are set at a 95% confidence level, depending on the values of the branching fractions of the B quark to t W , b Z , and b H . Overall, these limits are the most stringent to date.

Use of a mixture of n-dodecyl-beta-D-maltoside and sodium dodecyl sulfate in poly(dimethylsiloxane) microchips to suppress adhesion and promote separation of proteins.

PubMed

Huang, Bo; Kim, Samuel; Wu, Hongkai; Zare, Richard N

2007-12-01

Dynamic modification of poly(dimethylsiloxane) channels using a mixture of n-dodecyl-beta-D-maltoside (DDM) and sodium dodecyl sulfate (SDS) is able to suppress analyte adsorption and control electroosmotic flow (EOF). In this mixed surfactant system, the nonionic surfactant DDM functions as a surface blocking reagent, whereas the anionic surfactant SDS introduces negative charges to the channel walls. Changing the DDM/SDS mixing ratio tunes the surface charge density and the strength of EOF. Using 0.1% (w/v) DDM and 0.03% (w/v) SDS, Alexa Fluor 647 labeled streptavidin can be analyzed according to the charges added by the fluorophores. Protein molecules with different numbers of fluorophores are well resolved. DDM and SDS also form negatively charged mixed micelles, which act as a separation medium. The low critical micellar concentration of DDM/SDS mixed micelles also allows the use of SDS at a nondenaturing concentration, which enables the analysis of proteins in their native state. The immunocomplex between a membrane protein, beta2 adrenergic receptor, and anti-FLAG antibody has been fully separated using 0.1% (w/v) DDM and 0.03% (w/v) SDS. We have also analyzed the composition of light-harvesting protein-chromophore complexes in cyanobacteria.

Multispecies diffusion models: A study of uranyl species diffusion

NASA Astrophysics Data System (ADS)

Liu, Chongxuan; Shang, Jianying; Zachara, John M.

2011-12-01

Rigorous numerical description of multispecies diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication in imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multispecies diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multispecies diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multispecies U(VI) diffusion under a steady state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that for multispecies U(VI) diffusion under transient chemical conditions, a fully coupled diffusion model could be well approximated by a component-based diffusion model when the diffusion coefficient for each chemical component was properly selected. The component-based diffusion model considers the difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be enforced, if necessary, by adding a secondary migration term resulting from model simplification. The effect of ion activity coefficient gradients on multispecies diffusion is also discussed. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from U.S. Department of Energy's Hanford 300A, where intragranular diffusion is a rate-limiting process controlling U(VI) adsorption and desorption. The grain-scale reactive diffusion model was able to describe U(VI) adsorption/desorption kinetics that had been previously described using a semiempirical, multirate model. Compared with the multirate model, the diffusion models have the advantage to provide spatiotemporal speciation evolution within the diffusion domains.

Improved Control of Charging Voltage for Li-Ion Battery

NASA Technical Reports Server (NTRS)

Timmerman, Paul; Bugga, Ratnakumar

2006-01-01

The protocol for charging a lithium-ion battery would be modified, according to a proposal, to compensate for the internal voltage drop (charging current internal resistance of the battery). The essence of the modification is to provide for measurement of the internal voltage drop and to increase the terminal-voltage setting by the amount of the internal voltage drop. Ordinarily, a lithium-ion battery is charged at constant current until its terminal voltage attains a set value equal to the nominal full-charge potential. The set value is chosen carefully so as not to exceed the lithium-plating potential, because plated lithium in metallic form constitutes a hazard. When the battery is charged at low temperature, the internal voltage drop is considerable because the electrical conductivity of the battery electrolyte is low at low temperature. Charging the battery at high current at any temperature also gives rise to a high internal voltage drop. In some cases, the internal voltage drop can be as high as 1 volt per cell. Because the voltage available for charging is less than the terminal voltage by the amount of the internal voltage drop, the battery is not fully charged (see figure), even when the terminal voltage reaches the set value. In the modified protocol, the charging current would be periodically interrupted so that the zero-current battery-terminal voltage indicative of the state of charge could be measured. The terminal voltage would also be measured at full charging current. The difference between the full-current and zero-current voltages would equal the internal voltage drop. The set value of terminal voltage would then be increased beyond the nominal full-charge potential by the amount of the internal voltage drop. This adjustment would be performed repeatedly, in real time, so that the voltage setting would track variations in the internal voltage drop to afford full charge without risk of lithium plating. If the charging current and voltage settings were controlled by a computer, then this method of charge control could readily be implemented in software.

Polypeptide multilayer films on colloidal particles: an in situ electro-optical study.

PubMed

Radeva, Tsetska; Kamburova, Kamelia

2007-04-15

The buildup of poly(L-glutamic acid) (PGA) and poly(L-lysine) (PLL) multilayers on beta-FeOOH colloidal particles was investigated by means of electro-optics and electrophoresis. The films were built at different (acidic) pH in the absence of salt. We found that the thickness of the film grows linearly when the fully charged PLL (at pH 5.5) is combined with almost fully charged PGA (at pH 6.5), with a thickness of about 2 nm per single layer. When the fully charged PLL is combined with weakly charged PGA (at pH 4.5), the film thickness increases exponentially with the number of deposited layers. The thickness of the exponentially growing film increases to 300 nm after deposition of 16 layers. The exponential film growth is attributed to the ability of the PLL to diffuse "in" and "out" of the film bulk at each deposition step. The variation in the electrical polarizability of the film-coated particles was also monitored as a function of the number of adsorbed layers. The result reveals that the PLL chains, which can diffuse into the film bulk, have no measurable contribution to the electro-optical effect of the films terminated with PLL. It is only due to the polarization of counterions of the PLL adsorbed on the film surface.

Design of a 10 GHz, 10 MW Gyrotron.

DTIC Science & Technology

1985-11-27

beam, which can be located close to the cavity wall, reducing space charge effects . In addition, high current density beams can be generated (6) with the...calculates electron trajectories within potential boundaries, including the effects of beam space charge , and is fully relativistic. Modeling the... space charge would cause the bottom electrons to have too little perpendicular energy, and vice versa, as illustrated in Figures 11 and 12. The

46 CFR 132.350 - Tests and inspections of fire-extinguishing equipment.

Code of Federal Regulations, 2012 CFR

2012-10-01

... serviceable condition to the satisfaction of the Coast Guard inspector. Dry chemical (cartridge-operated... chemical is free-flowing (not caked) and that extinguisher contains full charge. Dry chemical (stored... determine that extinguisher is fully charged with dry chemical. Recharge if pressure is low or if dry...

46 CFR 132.350 - Tests and inspections of fire-extinguishing equipment.

Code of Federal Regulations, 2014 CFR

2014-10-01

... serviceable condition to the satisfaction of the Coast Guard inspector. Dry chemical (cartridge-operated... chemical is free-flowing (not caked) and that extinguisher contains full charge. Dry chemical (stored... determine that extinguisher is fully charged with dry chemical. Recharge if pressure is low or if dry...

46 CFR 132.350 - Tests and inspections of fire-extinguishing equipment.

Code of Federal Regulations, 2013 CFR

2013-10-01

... serviceable condition to the satisfaction of the Coast Guard inspector. Dry chemical (cartridge-operated... chemical is free-flowing (not caked) and that extinguisher contains full charge. Dry chemical (stored... determine that extinguisher is fully charged with dry chemical. Recharge if pressure is low or if dry...

An Energy- and Charge-conserving, Implicit, Electrostatic Particle-in-Cell Algorithm in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.; Barnes, D. C.

2012-03-01

A recent proof-of-principle study proposes an energy- and charge-conserving, fully implicit particle-in-cell algorithm in one dimension [1], which is able to use timesteps comparable to the dynamical timescale of interest. Here, we generalize the method to employ non-uniform meshes via a curvilinear map. The key enabling technology is a hybrid particle pusher [2], with particle positions updated in logical space and particle velocities updated in physical space. The self-adaptive, charge-conserving particle mover of Ref. [1] is extended to the non-uniform mesh case. The fully implicit implementation, using a Jacobian-free Newton-Krylov iterative solver, remains exactly charge- and energy-conserving. The extension of the formulation to multiple dimensions will be discussed. We present numerical experiments of 1D electrostatic, long-timescale ion-acoustic wave and ion-acoustic shock wave simulations, demonstrating that charge and energy are conserved to round-off for arbitrary mesh non-uniformity, and that the total momentum remains well conserved.[4pt] [1] Chen, Chac'on, Barnes, J. Comput. Phys. 230 (2011). [0pt] [2] Camporeale and Delzanno, Bull. Am. Phys. Soc. 56(6) (2011); Wang, et al., J. Plasma Physics, 61 (1999).

Dynamic conductivity from audio to optical frequencies of semiconducting manganites approaching the metal-insulator transition

NASA Astrophysics Data System (ADS)

Lunkenheimer, P.; Mayr, F.; Loidl, A.

2006-07-01

We report the frequency-dependent conductivity of the manganite system La1-xSrxMnO3 (x0.2) when approaching the metal-insulator transition from the insulating side. Results from low-frequency dielectric measurements are combined with spectra in the infrared region. For low doping levels the behavior is dominated by hopping transport of localized charge carriers at low frequencies and by phononic and electronic excitations in the infrared region. For the higher Sr contents the approach of the metallic state is accompanied by the successive suppression of the hopping contribution at low frequencies and by the development of polaronic excitations in the infrared region, which finally become superimposed by a strong Drude contribution in the fully metallic state.

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

Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco

Essential-state models efficiently describe linear and nonlinear spectral properties of different families of charge-transfer chromophores. Here, the essential-state machinery is applied to the calculation of the early-stage dynamics after ultrafast (coherent) excitation of polar and quadrupolar chromophores. The fully non-adiabatic treatment of coupled electronic and vibrational motion allows for a reliable description of the dynamics of these intriguing systems. In particular, the proposed approach is reliable even when the adiabatic and harmonic approximations do not apply, such as for quadrupolar dyes that show a multistable, broken-symmetry excited state. Our approach quite naturally leads to a clear picture for a dynamicalmore » Jahn-Teller effect in these systems. The recovery of symmetry due to dynamical effects is however disrupted in polar solvents where a static symmetry lowering is observed. More generally, thermal disorder in polar solvents is responsible for dephasing phenomena, damping the coherent oscillations with particularly important effects in the case of polar dyes.« less

Double ionization of helium by ion impact: second Born order treatment at the fully differential level

NASA Astrophysics Data System (ADS)

López, S. D.; Otranto, S.; Garibotti, C. R.

2015-01-01

In this work, a theoretical study of the double ionization of He by ion impact at the fully differential level is presented. Emphasis is made in the role played by the projectile in the double emission process depending on its charge and the amount of momentum transferred to the target. A Born-CDW model including a second-order term in the projectile charge is introduced and evaluated within an on-shell treatment. We find that emission geometries for which the second-order term dominates lead to asymmetric structures around the momentum transfer direction, a typical characteristic of higher order transitions.

Spin-resolved band structure of a densely packed Pb monolayer on Si(111)

NASA Astrophysics Data System (ADS)

Brand, C.; Muff, S.; Fanciulli, M.; Pfnür, H.; Tringides, M. C.; Dil, J. H.; Tegenkamp, C.

2017-07-01

Monolayer structures of Pb on Si(111) attracted recently considerable interest as superconductivity was found in these truly two-dimensional (2D) structures. In this study, we analyzed the electronic surface band structure of the so-called striped incommensurate Pb phase with 4/3 ML coverage by means of spin-resolved photoemission spectroscopy. Our results fully agree with density functional theory calculations done by Ren et al. [Phys. Rev. B 94, 075436 (2016), 10.1103/PhysRevB.94.075436]. We observe a local Zeeman-type splitting of a fully occupied and spin-polarized surface band at the K¯√{3} points. The growth of this densely packed Pb structure results in the formation of imbalanced rotational domains, which triggered the detection of C3 v symmetry forbidden spin components for surface states around the Fermi energy. Moreover, the Fermi surface of the metallic surface state of this phase is Rashba spin split and revealed a pronounced warping. However, the 2D nesting vectors are incommensurate with the atomic structure, thus keeping this system rather immune against charge density wave formation and possibly enabling a superconducting behavior.

Applications of high-energy heavy-ions from superconducting cyclotrons

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

Grimm, T. L.

1999-06-10

The superconducting cyclotrons of the National Superconducting Cyclotron Laboratory (NSCL), a major nuclear physics facility, can provide ions of any element from hydrogen to uranium. A major upgrade to the NSCL is underway and will consist of an electron cyclotron resonance (ECR) ion source followed by two large superconducting cyclotrons (K500 and K1200). Ions can be extracted at any point along this chain allowing a large range of energies and charge states. The ion energies range from a few keV to over 20 GeV, and charge states up to fully stripped {sup 197}Au{sup 79+} and two electron {sup 238}U{sup 90+}more » are possible. The long range of the high-energy heavy-ions allows them to penetrate deeply into a target that is placed in air, outside a vacuum chamber. The ion beams have already been used for a number of applications including; ion implantation, atomic physics, single event effects in integrated circuits, DNA radiation studies, radiation detector studies, flux pinning in high-T{sub c} superconductors, calibration of a space-based spectrometer, isotropic ratio measurements, material wear studies, and continuous positron emission tomography imaging.« less

3D Band Diagram and Photoexcitation of 2D-3D Semiconductor Heterojunctions.

PubMed

Li, Bo; Shi, Gang; Lei, Sidong; He, Yongmin; Gao, Weilu; Gong, Yongji; Ye, Gonglan; Zhou, Wu; Keyshar, Kunttal; Hao, Ji; Dong, Pei; Ge, Liehui; Lou, Jun; Kono, Junichiro; Vajtai, Robert; Ajayan, Pulickel M

2015-09-09

The emergence of a rich variety of two-dimensional (2D) layered semiconductor materials has enabled the creation of atomically thin heterojunction devices. Junctions between atomically thin 2D layers and 3D bulk semiconductors can lead to junctions that are fundamentally electronically different from the covalently bonded conventional semiconductor junctions. Here we propose a new 3D band diagram for the heterojunction formed between n-type monolayer MoS2 and p-type Si, in which the conduction and valence band-edges of the MoS2 monolayer are drawn for both stacked and in-plane directions. This new band diagram helps visualize the flow of charge carriers inside the device in a 3D manner. Our detailed wavelength-dependent photocurrent measurements fully support the diagrams and unambiguously show that the band alignment is type I for this 2D-3D heterojunction. Photogenerated electron-hole pairs in the atomically thin monolayer are separated and driven by an external bias and control the "on/off" states of the junction photodetector device. Two photoresponse regimes with fast and slow relaxation are also revealed in time-resolved photocurrent measurements, suggesting the important role played by charge trap states.

A fully on-chip fast-transient NMOS low dropout voltage regulator with quasi floating gate pass element

NASA Astrophysics Data System (ADS)

Wang, Han; Gou, Chao; Luo, Kai

2017-04-01

This paper presents a fully on-chip NMOS low-dropout regulator (LDO) for portable applications with quasi floating gate pass element and fast transient response. The quasi floating gate structure makes the gate of the NMOS transistor only periodically charged or refreshed by the charge pump, which allows the charge pump to be a small economical circuit with small silicon area. In addition, a variable reference circuit is introduced enlarging the dynamic range of error amplifier during load transient. The proposed LDO has been implemented in a 0.35 μm BCD process. From experimental results, the regulator can operate with a minimum dropout voltage of 250 mV at a maximum 1 A load and {I}{{Q}} of 395 μA. Under full-range load current step, the voltage undershoot and overshoot of the proposed LDO are reduced to 50 and 26 mV, respectively.

Molecular dynamics simulations of glyphosate in a DPPC lipid bilayer.

PubMed

Frigini, Ezequiel N; López Cascales, J J; Porasso, Rodolfo D

2018-07-01

Extensive molecular dynamics simulations have been performed to study the effect of glyphosate (in their neutral and charged forms, GLYP and GLYP 2- , respectively) on fully hydrated DiPalmitoylPhosphatidylCholine (DPPC) lipid bilayer. First, we calculated the free energy profile (using the Umbrella Sampling technique) for both states of charge of glyphosate. The minimum value for the free energy for GLYP is ∼-60 kJ mol -1 located at z = ±1.7 nm (from the lipid bilayer center), and there is almost no maximum at the center of the lipid bilayer. By contrast, the minimum for GLYP 2- is ∼-35 kJ mol -1 located at z = ± 1.4 nm (from the lipid bilayer center), and the maximum reaches ∼35 kJ mol -1 at the center of the lipid bilayer. Then, different lipid bilayer properties were analyzed for different glyphosate:lipid (G:L) ratios. The mean area per lipid was slightly affected, increasing only 5% (in the presence of glyphosate at high concentrations), which is in agreement with the slight decrease in deuterium order parameters. As for the thickness of the bilayer, it is observed that the state of charge produces opposite effects. On one hand, the neutral state produces an increase in the thickness of the lipid bilayer; on the other, the charged form produces a decrease in the thickness, which not depend linearly on the G:L ratios, either. The orientation of the DPPC head groups is practically unaffected throughout the range of the G:L ratios studied. Finally, the mobility of the lipids of the bilayer is strongly affected by the presence of glyphosate, considerably increasing its lateral diffusion coefficient noteworthy (one order of magnitude), with increasing G:L ratio. Copyright © 2018 Elsevier B.V. All rights reserved.

Probing the catalytic roles of n2-site glutamate residues in Escherichia coli glutamine synthetase by mutagenesis.

PubMed Central

Witmer, M. R.; Palmieri-Young, D.; Villafranca, J. J.

1994-01-01

The contribution of metal ion ligand type and charge to catalysis and regulation at the lower affinity metal ion site (n2 site) of Escherichia coli glutamine synthetase (GS) was tested by mutagenesis and kinetic analysis. The 2 glutamate residues at the n2 site, E129 and E357, were changed to E129D, E129H, E357H, E357Q, and E357D, representing conservative and nonconservative alterations. Unadenylylated and fully adenylylated enzyme forms were studied. The Mn(2+)-KD values, UV-cis and fluorescence emission properties were similar for all mutants versus WTGS, except E129H. For kinetic determinations with both Mn2+ and Mg2+, nonconservative mutants (E357H, E129H, E357Q) showed lower biosynthetic activities than conservative mutants (E129D, E357D). Relative to WTGS, all the unadenylylated Mn(2+)-activated enzymes showed reduced kcat/Km values for ATP (> 7-fold) and for glutamate (> 10-fold). Of the unadenylylated Mg(2+)-activated enzymes, only E129D showed kinetic parameters competitive with WTGS, and adenylylated E129D was a 20-fold better catalyst than WTGS. We propose the n2-site metal ion activates ADP for departure in the phosphorylation of glutamate by ATP to generate gamma-glutamyl phosphate. Alteration of the charge density at this metal ion alters the transition-state energy for phosphoryl group transfer and may affect ATP binding and/or ADP release. Thus, the steady-state kinetic data suggest that modifying the charge density increases the transition-state energies for chemical steps. Importantly, the data demonstrate that each ligand position has a specialized spatial environment and the charge of the ligand modulates the catalytic steps occurring at the metal ion. The data are discussed in the context of the known X-ray structures of GS. PMID:7849593

Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids

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

Deshlahra, Prashant; Carr, Robert T.; Iglesia, Enrique

Reactivity descriptors describe catalyst properties that determine the stability of kinetically relevant transition states and adsorbed intermediates. Theoretical descriptors, such as deprotonation energies (DPE), rigorously account for Brønsted acid strength for catalytic solids with known structure. Here, mechanistic interpretations of methanol dehydration turnover rates are used to assess how charge reorganization (covalency) and electrostatic interactions determine DPE and how such interactions are recovered when intermediates and transition states interact with the conjugate anion in W and Mo polyoxometalate (POM) clusters and gaseous mineral acids. Turnover rates are lower and kinetically relevant species are less stable on Mo than W POMmore » clusters with similar acid strength, and such species are more stable on mineral acids than that predicted from W-POM DPE–reactivity trends, indicating that DPE and acid strength are essential but incomplete reactivity descriptors. Born–Haber thermochemical cycles indicate that these differences reflect more effective charge reorganization upon deprotonation of Mo than W POM clusters and the much weaker reorganization in mineral acids. Such covalency is disrupted upon deprotonation but cannot be recovered fully upon formation of ion pairs at transition states. Predictive descriptors of reactivity for general classes of acids thus require separate assessments of the covalent and ionic DPE components. Here, we describe methods to estimate electrostatic interactions, which, taken together with energies derived from density functional theory, give the covalent and ionic energy components of protons, intermediates, and transition states. In doing so, we provide a framework to predict the reactive properties of protons for chemical reactions mediated by ion-pair transition states.« less

Charge and spin control of ultrafast electron and hole dynamics in single CdSe/ZnSe quantum dots

NASA Astrophysics Data System (ADS)

Hinz, C.; Gumbsheimer, P.; Traum, C.; Holtkemper, M.; Bauer, B.; Haase, J.; Mahapatra, S.; Frey, A.; Brunner, K.; Reiter, D. E.; Kuhn, T.; Seletskiy, D. V.; Leitenstorfer, A.

2018-01-01

We study the dynamics of photoexcited electrons and holes in single negatively charged CdSe/ZnSe quantum dots with two-color femtosecond pump-probe spectroscopy. An initial characterization of the energy level structure is performed at low temperatures and magnetic fields of up to 5 T. Emission and absorption resonances are assigned to specific transitions between few-fermion states by a theoretical model based on a configuration interaction approach. To analyze the dynamics of individual charge carriers, we initialize the quantum system into excited trion states with defined energy and spin. Subsequently, the time-dependent occupation of the trion ground state is monitored by spectrally resolved differential transmission measurements. We observe subpicosecond dynamics for a hole excited to the D shell. The energy dependence of this D -to-S shell intraband transition is investigated in quantum dots of varying size. Excitation of an electron-hole pair in the respective p shells leads to the formation of singlet and triplet spin configurations. Relaxation of the p -shell singlet is observed to occur on a time scale of a few picoseconds. Pumping of p -shell triplet transitions opens up two pathways with distinctly different scattering times. These processes are shown to be governed by the mixing of singlet and triplet states due to exchange interactions enabling simultaneous electron and hole spin flips. To isolate the relaxation channels, we align the spin of the residual electron by a magnetic field and employ laser pulses of defined helicity. This step provides ultrafast preparation of a fully inverted trion ground state of the quantum dot with near unity probability, enabling deterministic addition of a single photon to the probe pulse. Therefore our experiments represent a significant step towards using single quantum emitters with well-controled inversion to manipulate the photon statistics of ultrafast light pulses.

Electron Capture in Slow Collisions of Si4+ With Atomic Hydrogen

NASA Astrophysics Data System (ADS)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-10-01

In recent years the charge transfer involving Si4+ and H at low energies has drawn considerable attention both theoretically and experimentally due to its importance not only in astronomical environments but also in modern semiconductor industries. Accurate information regarding its molecular structures and interactions are essential to understand the low energy collision dynamics. Ab initio calculations are performed using the multireference single- and double-excitation configuration-interaction (MRD-CI) method to evaluate potential energies. State selective cross sections are calculate using fully quantum and semi-classical molecular-orbital close coupling (MOCC) methods in the adiabatic representation. Detail results will be presented in the conference.

Stochastic and deterministic causes of streamer branching in liquid dielectrics

NASA Astrophysics Data System (ADS)

Jadidian, Jouya; Zahn, Markus; Lavesson, Nils; Widlund, Ola; Borg, Karl

2013-08-01

Streamer branching in liquid dielectrics is driven by stochastic and deterministic factors. The presence of stochastic causes of streamer branching such as inhomogeneities inherited from noisy initial states, impurities, or charge carrier density fluctuations is inevitable in any dielectric. A fully three-dimensional streamer model presented in this paper indicates that deterministic origins of branching are intrinsic attributes of streamers, which in some cases make the branching inevitable depending on shape and velocity of the volume charge at the streamer frontier. Specifically, any given inhomogeneous perturbation can result in streamer branching if the volume charge layer at the original streamer head is relatively thin and slow enough. Furthermore, discrete nature of electrons at the leading edge of an ionization front always guarantees the existence of a non-zero inhomogeneous perturbation ahead of the streamer head propagating even in perfectly homogeneous dielectric. Based on the modeling results for streamers propagating in a liquid dielectric, a gauge on the streamer head geometry is introduced that determines whether the branching occurs under particular inhomogeneous circumstances. Estimated number, diameter, and velocity of the born branches agree qualitatively with experimental images of the streamer branching.

A rare-earth-magnet ion trap for confining low-Z, bare nuclei

NASA Astrophysics Data System (ADS)

Brewer, Samuel M.; Tan, Joseph N.

2009-05-01

Simplifications in the theory for Rydberg states of hydrogenlike ions allow a substantial improvement in the accuracy of predicted levels, which can yield information on the values of fundamental constants and test theory if they can be compared with precision frequency measurements.[1] We consider the trapping of bare nuclei (fully-stripped) to be used in making Rydberg states of one-electron ions with atomic number 1< Z < 11. Numerical simulation is used here to study ion confinement in a compact, Penning-style ion trap consisting of electrodes integrated with rare-earth permanent magnets, and to model the capture of charge-state-selected ions extracted from an electron beam ion trap (EBIT). An experimental apparatus adapted to the NIST EBIT will also be discussed. Reference: [1] U.D. Jentschura, P.J. Mohr, J.N. Tan, and B.J. Wundt, ``Fundamental constants and tests of theory in Rydberg states of hydrogenlike ions,'' Phys. Rev. Lett. 100, 160404 (2008).

Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.

PubMed

Deeth, Robert J; Halcrow, Malcolm A; Kershaw Cook, Laurence J; Raithby, Paul R

2018-04-06

A ligand field molecular mechanics (LFMM) force field has been constructed for the spin states of [Fe(bpp) 2 ] 2+ (bpp=2,6-di(pyrazol-1-yl)pyridine) and related complexes. A new charge scheme is employed which interpolates between partial charges for neutral bpp and protonated [H 3 bpp] 3+ to achieve a target metal charge. The LFMM angular overlap model (AOM) parameters are fitted to fully ab initio d orbital energies. However, several AOM parameter sets are possible. The ambiguity is resolved by calculating the Jahn-Teller distortion mode for high spin, which indicates that in [Fe(bpp) 2 ] 2+ pyridine is a π-acceptor and pyrazole a weak π-donor. The alternative fit, assumed previously, where both ligands act as π-donors leads to an inconsistent distortion. LFMM optimisations in the presence of [BF 4 ] - or [PF 6 ] - anions are in good agreement with experiment and the model also correctly predicts the spin state energetics for 3-pyrazolyl substituents where the interactions are mainly steric. However, for 4-pyridyl or 4-pyrazolyl substituents, LFMM only treats the electrostatic contribution which, for the pyridyl substituents, generates a fair correlation with the spin crossover transition temperatures, T 1/2 , but in the reverse sense to the dominant electronic effect. Thus, LFMM generates its smallest spin state energy difference for the substituent with the highest T 1/2 . One parameter set for all substituted bpp ligands is insufficient and further LFMM development will be required. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Picosecond to nanosecond dynamics provide a source of conformational entropy for protein folding.

PubMed

Stadler, Andreas M; Demmel, Franz; Ollivier, Jacques; Seydel, Tilo

2016-08-03

Myoglobin can be trapped in fully folded structures, partially folded molten globules, and unfolded states under stable equilibrium conditions. Here, we report an experimental study on the conformational dynamics of different folded conformational states of apo- and holomyoglobin in solution. Global protein diffusion and internal molecular motions were probed by neutron time-of-flight and neutron backscattering spectroscopy on the picosecond and nanosecond time scales. Global protein diffusion was found to depend on the α-helical content of the protein suggesting that charges on the macromolecule increase the short-time diffusion of protein. With regard to the molten globules, a gel-like phase due to protein entanglement and interactions with neighbouring macromolecules was visible due to a reduction of the global diffusion coefficients on the nanosecond time scale. Diffusion coefficients, residence and relaxation times of internal protein dynamics and root mean square displacements of localised internal motions were determined for the investigated structural states. The difference in conformational entropy ΔSconf of the protein between the unfolded and the partially or fully folded conformations was extracted from the measured root mean square displacements. Using thermodynamic parameters from the literature and the experimentally determined ΔSconf values we could identify the entropic contribution of the hydration shell ΔShydr of the different folded states. Our results point out the relevance of conformational entropy of the protein and the hydration shell for stability and folding of myoglobin.

Fully Printed Ultraflexible Supercapacitor Supported by a Single-Textile Substrate.

PubMed

Zhang, Huihui; Qiao, Yan; Lu, Zhisong

2016-11-30

Textile-based supercapacitors have recently attracted much attention owing to their great potential as energy storage components in wearable electronics. However, fabrication of a high-performance, fully printed, and ultraflexible supercapacitor based on a single textile still remains a great challenge. Herein, a facile, low-cost, and textile-compatible method involving screen printing and transfer printing is developed to construct all-solid-state supercapacitors on a single silk fabric. The system exhibits a high specific capacitance of 19.23 mF cm -2 at a current density of 1 mA cm -2 and excellent cycling stability with capacitance retention of 84% after 2000 charging/discharging cycles. In addition, the device possesses superior mechanical stability with stable performance and structures after 100 times of bending and twisting. A butterfly-patterned supercapacitor was manufactured to demonstrate the compatibility of the printing approaches to textile aesthetics. This work may provide a facile and versatile approach for fabricating rationally designed ultraflexible textile-based power-storage elements for potential applications in smart textiles and stretchable/flexible electronics.

Detection of High Energy Cosmic Rays with Advanced Thin Ionization Calorimeter, ATIC

NASA Technical Reports Server (NTRS)

Adams, J. H.; Ahn, E. J.; Ahn, H. S.; Bashindzhagyan, G.; Case, G.; Chang, J.; Christl, M.; Ellison, S.; Fazely, A. R.; Ganel, O.

2002-01-01

The author presents preliminary results of the first flight of the Advanced Thin Ionization Calorimeter (ATIC). ATIC is a multiple, long duration balloon flight, investigation for the study of cosmic ray spectra from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Germanate (BGO) calorimeter. It is equipped with the first large area mosaic of small fully depleted silicon detector pads capable of charge identification of cosmic rays from H to Fe. As a redundancy check for the charge identification and a coarse particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the center and below a Carbon interaction 'target'.

Combination of searches for WW, WZ, and ZZ resonances in pp collisions at √{ s} = 8 TeV with the ATLAS detector

NASA Astrophysics Data System (ADS)

Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Aben, R.; Abolins, M.; Abouzeid, O. S.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Alimonti, G.; Alio, L.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Altheimer, A.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amram, N.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Antos, J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Aurousseau, M.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bacci, C.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Bain, T.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. 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B.; Simak, V.; Simard, O.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sisakyan, A. N.; Sivoklokov, S. Yu.; Sjölin, J.; Sjursen, T. B.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snidero, G.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans, C. A.; Solar, M.; Solc, J.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Song, H. Y.; Soni, N.; Sood, A.; Sopczak, A.; Sopko, B.; Sopko, V.; Sorin, V.; Sosa, D.; Sosebee, M.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Spearman, W. R.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Staerz, S.; Stahlman, J.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, J.; Staroba, P.; Starovoitov, P.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, E.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Subramaniam, R.; Succurro, A.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeda, H.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tam, J. Y. C.; Tan, K. G.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tarrade, F.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, F. E.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira Dias Castanheira, M.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, R. J.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Thun, R. P.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tiouchichine, E.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tollefson, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tremblet, L.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tsarouchas, C.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsionou, D.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tykhonov, A.; Tylmad, M.; Tyndel, M.; Ueda, I.; Ueno, R.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Vallecorsa, S.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vannucci, F.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veloce, L. M.; Veloso, F.; Velz, T.; Veneziano, S.; Ventura, A.; Ventura, D.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigne, R.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vivarelli, I.; Vlachos, S.; Vladoiu, D.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Radziewski, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Wasicki, C.; Watkins, P. M.; Watson, A. T.; Watson, I. J.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Wharton, A. M.; White, A.; White, M. J.; White, R.; White, S.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, A.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wollstadt, S. J.; Wolter, M. W.; Wolters, H.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yakabe, R.; Yamada, M.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yurkewicz, A.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zur Nedden, M.; Zurzolo, G.; Zwalinski, L.; Atlas Collaboration

2016-04-01

The ATLAS experiment at the CERN Large Hadron Collider has performed searches for new, heavy bosons decaying to WW, WZ and ZZ final states in multiple decay channels using 20.3 fb-1 of pp collision data at √{ s} = 8 TeV. In the current study, the results of these searches are combined to provide a more stringent test of models predicting heavy resonances with couplings to vector bosons. Direct searches for a charged diboson resonance decaying to WZ in the ℓνℓ‧ℓ‧ (ℓ = μ , e), ℓℓq q bar , ℓνq q bar and fully hadronic final states are combined and upper limits on the rate of production times branching ratio to the WZ bosons are compared with predictions of an extended gauge model with a heavy W‧ boson. In addition, direct searches for a neutral diboson resonance decaying to WW and ZZ in the ℓℓq q bar , ℓνq q bar , and fully hadronic final states are combined and upper limits on the rate of production times branching ratio to the WW and ZZ bosons are compared with predictions for a heavy, spin-2 graviton in an extended Randall-Sundrum model where the Standard Model fields are allowed to propagate in the bulk of the extra dimension.

Combination of searches for WW, WZ, and ZZ resonances in pp collisions at s = 8  TeV with the ATLAS detector

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

Aad, G.

2016-02-11

In this study, the ATLAS experiment at the CERN Large Hadron Collider has performed searches for new, heavy bosons decaying to WW, WZ, and ZZ final states in multiple decay channels using 20.3 fb -12 of pp collision data at √s=8 TeV. In the current study, the results of these searches are combined to provide a more stringent test of models predicting heavy resonances with couplings to vector bosons. Direct searches for a charged diboson resonance decaying to WZ in the ℓνℓ'ℓ' (ℓ=μ,e), ℓℓqq¯,ℓνqq¯ and fully hadronic final states are combined and upper limits on the rate of production timesmore » branching ratio to the WZ bosons are compared with predictions of an extended gauge model with a heavy W' boson. Also, direct searches for a neutral diboson resonance decaying to WW and ZZ in the ℓℓqq¯, ℓνqq¯, and fully hadronic final states are combined and upper limits on the rate of production times branching ratio to the WW and ZZ bosons are compared with predictions for a heavy, spin-2 graviton in an extended Randall–Sundrum model where the Standard Model fields are allowed to propagate in the bulk of the extra dimension.« less

Search for pair-produced vector-like B quarks in proton-proton collisions at $$\\sqrt{s}$$ = 8 TeV

DOE PAGES

Khachatryan, Vardan

2015-07-28

A search for the production of a heavy B quark, having electric charge -1/3 and vector couplings to W, Z, and H bosons, is carried out using proton-proton collision data recorded at the CERN LHC by the CMS experiment, corresponding to an integrated luminosity of 19.7 fb -1. The B quark is assumed to be pair-produced and to decay in one of three ways: to tW, bZ, or bH. The search is carried out in final states with one, two, and more than two charged leptons, as well as in fully hadronic final states. Each of the channels in themore » exclusive final-state topologies is designed to be sensitive to specific combinations of the B quark-antiquark pair decays. The observed event yields are found to be consistent with the standard model expectations in all the fi- nal states studied. Our statistical combination of these results was performed and upper limits were set on the cross section of the strongly produced B quark-antiquark pairs as a function of the B quark mass. Additionally, lower limits on the B quark mass between 740 and 900 GeV are set at a 95% confidence level, depending on the values of the branching fractions of the B quark to tW, bZ, and bH. Overall, these limits are the most stringent to date.« less

Superconducting pairing and the pseudogap in the nematic dynamical stripe phase of La2-xSrxCuO4

NASA Astrophysics Data System (ADS)

Sugai, S.; Takayanagi, Y.; Hayamizu, N.; Muroi, T.; Shiozaki, R.; Nohara, J.; Takenaka, K.; Okazaki, K.

2013-11-01

Fully absorption coefficient corrected Raman spectra were obtained in La2-xSrxCuO4. The B1g spectra have a Fleury-Loudon type two-magnon peak (resonant term) whose energy decreases from 3180 cm-1 (394 meV) to 440 cm-1 (55 meV) on increasing the carrier density from x = 0 to 0.25, while the B2g spectra have a 1000-3500 cm-1 (124-434 meV) hump (hill) whose lower-edge energy increases from x = 0 to 0.115 and then stays constant to x = 0.25. The B2g hump is assigned to the electronic scattering (non-resonant term) of the spectral function with magnetic self-energy. The completely different carrier density dependence arises from anisotropic magnetic excitations of spin-charge stripes. The B1g spectra were assigned to the sum of k ∥ and k⊥ stripe excitations and the B2g spectra to k⊥ stripe excitations according to the calculation by Seibold and Lorenzana (2006 Phys. Rev. B 73 144515). The k ∥ and k⊥ stripe excitations in fluctuating spin-charge stripes were separately detected for the first time. The appearance of only k⊥ stripe excitations in the electronic scattering arises from the charge hopping perpendicular to the stripe. This is the same direction as the Burgers vector of the edge dislocation in metal. The successive charge hopping in the Burgers vector direction across the charge stripes may cause Cooper pairs as predicted by Zaanen et al (2004 Ann. Phys. 310 181). Indeed, this is supported by the experimental fact that the superconducting coherent length coincides with the inter-charge stripe distance in the wide carrier density range. The one-directional charge hopping perpendicular to the stripe causes the flat Fermi surface and the pseudogap near (π,0) and (0,π), but the states around (π/2,π/2) cannot be produced. The low-energy Raman scattering disclosed that the electronic states at the Fermi arc around (π/2,π/2) are coupled to the A1g soft phonon of the tetragonal-orthorhombic phase transition. This suggests that the Fermi arc is produced by the electron-phonon interaction. All the present Raman data suggest that Cooper pairs are formed at moving edge dislocations of dynamical charge stripes.

Mechanical abuse simulation and thermal runaway risks of large-format Li-ion batteries

NASA Astrophysics Data System (ADS)

Wang, Hsin; Lara-Curzio, Edgar; Rule, Evan T.; Winchester, Clinton S.

2017-02-01

Internal short circuit of large-format Li-ion pouch cells induced by mechanical abuse was simulated using a modified mechanical pinch test. A torsion force was added manually at ∼40% maximum compressive loading force during the pinch test. The cell was twisted about 5° to the side by horizontally pulling a wire attached to the anode tab. The combined torsion-compression force created small failure at the separator yet allowed testing of fully charged large format Li-ion cells without triggering thermal runaway. Two types of commercial cells were tested using 4-6 cells at each state-of-charge (SOC). Commercially available 18 Ahr LiFePO4 (LFP) and 25 Ahr Li(NiMnCo)1/3O2 (NMC) cells were tested, and a thermal runaway risk (TRR) score system was used to evaluate the safety of the cells under the same testing conditions. The aim was to provide the cell manufacturers and end users with a tool to compare different designs and safety features.

Direct k-space mapping of the electronic structure in an oxide-oxide interface.

PubMed

Berner, G; Sing, M; Fujiwara, H; Yasui, A; Saitoh, Y; Yamasaki, A; Nishitani, Y; Sekiyama, A; Pavlenko, N; Kopp, T; Richter, C; Mannhart, J; Suga, S; Claessen, R

2013-06-14

The interface between LaAlO(3) and SrTiO(3) hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to local moments. Experimentally, it has been established that Ti 3d electrons are confined to the interface. Using soft x-ray angle-resolved resonant photoelectron spectroscopy we have directly mapped the interface states in k space. Our data demonstrate a charge dichotomy. A mobile fraction contributes to Fermi surface sheets, whereas a localized portion at higher binding energies is tentatively attributed to electrons trapped by O vacancies in the SrTiO(3). While photovoltage effects in the polar LaAlO(3) layers cannot be excluded, the apparent absence of surface-related Fermi surface sheets could also be fully reconciled in a recently proposed electronic reconstruction picture where the built-in potential in the LaAlO(3) is compensated by surface O vacancies serving also as a charge reservoir.

Theoretical approach to resonant inelastic x-ray scattering in iron-based superconductors at the energy scale of the superconducting gap

PubMed Central

Marra, Pasquale; van den Brink, Jeroen; Sykora, Steffen

2016-01-01

We develop a phenomenological theory to predict the characteristic features of the momentum-dependent scattering amplitude in resonant inelastic x-ray scattering (RIXS) at the energy scale of the superconducting gap in iron-based super-conductors. Taking into account all relevant orbital states as well as their specific content along the Fermi surface we evaluate the charge and spin dynamical structure factors for the compounds LaOFeAs and LiFeAs, based on tight-binding models which are fully consistent with recent angle-resolved photoemission spectroscopy (ARPES) data. We find a characteristic intensity redistribution between charge and spin dynamical structure factors which discriminates between sign-reversing and sign-preserving quasiparticle excitations. Consequently, our results show that RIXS spectra can distinguish between s± and s++ wave gap functions in the singlet pairing case. In addition, we find that an analogous intensity redistribution at small momenta can reveal the presence of a chiral p-wave triplet pairing. PMID:27151253

Molecular controlled of quantum nano systems

NASA Astrophysics Data System (ADS)

Paltiel, Yossi

2014-03-01

A century ago quantum mechanics created a conceptual revolution whose fruits are now seen in almost any aspect of our day-to-day life. Lasers, transistors and other solid state and optical devices represent the core technology of current computers, memory devices and communication systems. However, all these examples do not exploit fully the quantum revolution as they do not take advantage of the coherent wave-like properties of the quantum wave function. Controlled coherent system and devices at ambient temperatures are challenging to realize. We are developing a novel nano tool box with control coupling between the quantum states and the environment. This tool box that combines nano particles with organic molecules enables the integration of quantum properties with classical existing devices at ambient temperatures. The nano particles generate the quantum states while the organic molecules control the coupling and therefore the energy, charge, spin, or quasi particle transfer between the layers. Coherent effects at ambient temperatures can be measured in the strong coupling regime. In the talk I will present our nano tool box and show studies of charge transfer, spin transfer and energy transfer in the hybrid layers as well as collective transfer phenomena. These enable the realization of room temperature operating quantum electro optical devices. For example I will present in details, our recent development of a new type of chiral molecules based magnetless universal memory exploiting selective spin transfer.

Interaction of highly charged ions with carbon nano membranes

NASA Astrophysics Data System (ADS)

Gruber, Elisabeth; Wilhelm, Richard A.; Smejkal, Valerie; Heller, René; Facsko, Stefan; Aumayr, Friedrich

2015-09-01

Charge state and energy loss measurements of slow highly charged ions (HCIs) after transmission through nanometer and sub-nanometer thin membranes are presented. Direct transmission measurements through carbon nano membranes (CNMs) show an unexpected bimodal exit charge state distribution, accompanied by charge exchange dependent energy loss. The energy loss of ions in CNMs with large charge loss shows a quadratic dependency on the incident charge state, indicating charge state dependent stopping force values. Another access to the exit charge state distribution is given by irradiating stacks of CNMs and investigating each layer of the stack with high resolution imaging techniques like transmission electron microscopy (TEM) and helium ion microscopy (HIM) independently. The observation of pores created in all of the layers confirms the assumption derived from the transmission measurements that the two separated charge state distributions reflect two different impact parameter regimes, i.e. close collision with large charge exchange and distant collisions with weak ion-target interaction.

Slow-motion scattering and coalescence of maximally charged black holes

NASA Technical Reports Server (NTRS)

Ferrell, Robert C.; Eardley, Douglas M.

1987-01-01

Systems consisting of several maximally charged, nonrotating black holes ('Reissner-Nordstrom' black holes) interacting with one another are studied. An effective action for the system in the slow-motion, fully strong-field regime is presented. An exact calculation of black-hole-black-hole scattering and coalescence in the slow-motion (but strong-field) limit is given.

Fully Explicit Nonlinear Optics Model in a Particle-in-Cell Framework

DTIC Science & Technology

2013-04-19

brirjrj ] = q m Ei (4) where the subscripts vary over Cartesian coordinates, and q/m is the charge to mass ratio . The anisotropy of the medium is...linear refractive index and η0 is the impedance of free space (see appendix). Note that the charge to mass ratio qs/ms amounts to an extraneous free...parameter that could have been absorbed into qsNs, as, and bs. In this work, the electronic charge to mass ratio is always assumed. As an example

25th anniversary article: charge transport and recombination in polymer light-emitting diodes.

PubMed

Kuik, Martijn; Wetzelaer, Gert-Jan A H; Nicolai, Herman T; Craciun, N Irina; De Leeuw, Dago M; Blom, Paul W M

2014-01-01

This article reviews the basic physical processes of charge transport and recombination in organic semiconductors. As a workhorse, LEDs based on a single layer of poly(p-phenylene vinylene) (PPV) derivatives are used. The hole transport in these PPV derivatives is governed by trap-free space-charge-limited conduction, with the mobility depending on the electric field and charge-carrier density. These dependencies are generally described in the framework of hopping transport in a Gaussian density of states distribution. The electron transport on the other hand is orders of magnitude lower than the hole transport. The reason is that electron transport is hindered by the presence of a universal electron trap, located at 3.6 eV below vacuum with a typical density of ca. 3 × 10¹⁷ cm⁻³. The trapped electrons recombine with free holes via a non-radiative trap-assisted recombination process, which is a competing loss process with respect to the emissive bimolecular Langevin recombination. The trap-assisted recombination in disordered organic semiconductors is governed by the diffusion of the free carrier (hole) towards the trapped carrier (electron), similar to the Langevin recombination of free carriers where both carriers are mobile. As a result, with the charge-carrier mobilities and amount of trapping centers known from charge-transport measurements, the radiative recombination as well as loss processes in disordered organic semiconductors can be fully predicted. Evidently, future work should focus on the identification and removing of electron traps. This will not only eliminate the non-radiative trap-assisted recombination, but, in addition, will shift the recombination zone towards the center of the device, leading to an efficiency improvement of more than a factor of two in single-layer polymer LEDs. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural and thermal stabilities of layered Li(Ni 1/3Co 1/3Mn 1/3)O 2 materials in 18650 high power batteries

NASA Astrophysics Data System (ADS)

He, Yan-Bing; Ning, Feng; Yang, Quan-Hong; Song, Quan-Sheng; Li, Baohua; Su, Fangyuan; Du, Hongda; Tang, Zhi-Yuan; Kang, Feiyu

The structural and thermal stabilities of the layered Li(Ni 1/3Co 1/3Mn 1/3)O 2 cathode materials under high rate cycling and abusive conditions are investigated using the commercial 18650 Li(Ni 1/3Co 1/3Mn 1/3)O 2/graphite high power batteries. The Li(Ni 1/3Co 1/3Mn 1/3)O 2 materials maintain their layered structure even when the power batteries are subjected to 200 cycles with 10 C discharge rate at temperatures of 25 and 50 °C, whereas their microstructure undergoes obvious distortion, which leads to the relatively poor cycling performance of power batteries at high charge/discharge rates and working temperature. Under abusive conditions, the increase in the battery temperature during overcharge is attributed to both the reactions of electrolyte solvents with overcharged graphite anode and Li(Ni 1/3Co 1/3Mn 1/3)O 2 cathode and the Joule heat that results from the great increase in the total resistance (R cell) of batteries. The reactions of fully charged Li(Ni 1/3Co 1/3Mn 1/3)O 2 cathodes and graphite anodes with electrolyte cannot be activated during short current test in the fully charged batteries. However, these reactions occur at around 140 °C in the fully charged batteries during oven test, which is much lower than the temperature of about 240 °C required for the reactions outside batteries.

12 CFR 7.4001 - Charging interest at rates permitted competing institutions; charging interest to corporate...

Code of Federal Regulations, 2011 CFR

2011-01-01

... bank may lawfully charge the highest rate permitted to be charged by a state-licensed small loan... small loan companies. (c) Effect on state definitions of interest. The Federal definition of the term... the law of that state. If state law permits different interest charges on specified classes of loans...

12 CFR 7.4001 - Charging interest at rates permitted competing institutions; charging interest to corporate...

Code of Federal Regulations, 2014 CFR

2014-01-01

... bank may lawfully charge the highest rate permitted to be charged by a state-licensed small loan... small loan companies. (c) Effect on state definitions of interest. The Federal definition of the term... the law of that state. If state law permits different interest charges on specified classes of loans...

12 CFR 7.4001 - Charging interest at rates permitted competing institutions; charging interest to corporate...

Code of Federal Regulations, 2013 CFR

2013-01-01

... bank may lawfully charge the highest rate permitted to be charged by a state-licensed small loan... small loan companies. (c) Effect on state definitions of interest. The Federal definition of the term... the law of that state. If state law permits different interest charges on specified classes of loans...

12 CFR 7.4001 - Charging interest at rates permitted competing institutions; charging interest to corporate...

Code of Federal Regulations, 2012 CFR

2012-01-01

... bank may lawfully charge the highest rate permitted to be charged by a state-licensed small loan... small loan companies. (c) Effect on state definitions of interest. The Federal definition of the term... the law of that state. If state law permits different interest charges on specified classes of loans...

Designing hybrid gate dielectric for fully printing high-performance carbon nanotube thin film transistors

NASA Astrophysics Data System (ADS)

Li, Qian; Li, Shilong; Yang, Dehua; Su, Wei; Wang, Yanchun; Zhou, Weiya; Liu, Huaping; Xie, Sishen

2017-10-01

The electrical characteristics of carbon nanotube (CNT) thin-film transistors (TFTs) strongly depend on the properties of the gate dielectric that is in direct contact with the semiconducting CNT channel materials. Here, we systematically investigated the dielectric effects on the electrical characteristics of fully printed semiconducting CNT-TFTs by introducing the organic dielectrics of poly(methyl methacrylate) (PMMA) and octadecyltrichlorosilane (OTS) to modify SiO2 dielectric. The results showed that the organic-modified SiO2 dielectric formed a favorable interface for the efficient charge transport in s-SWCNT-TFTs. Compared to single-layer SiO2 dielectric, the use of organic-inorganic hybrid bilayer dielectrics dramatically improved the performances of SWCNT-TFTs such as mobility, threshold voltage, hysteresis and on/off ratio due to the suppress of charge scattering, gate leakage current and charge trapping. The transport mechanism is related that the dielectric with few charge trapping provided efficient percolation pathways for charge carriers, while reduced the charge scattering. High density of charge traps which could directly act as physical transport barriers and significantly restrict the charge carrier transport and, thus, result in decreased mobile carriers and low device performance. Moreover, the gate leakage phenomenon is caused by conduction through charge traps. So, as a component of TFTs, the gate dielectric is of crucial importance to the manufacture of high quality TFTs from the aspects of affecting the gate leakage current and device operation voltage, as well as the charge carrier transport. Interestingly, the OTS-modified SiO2 allows to directly print horizontally aligned CNT film, and the corresponding devices exhibited a higher mobility than that of the devices with the hybrid PMMA/SiO2 dielectric although the thickness of OTS layer is only ˜2.5 nm. Our present result may provide key guidance for the further development of printed nanomaterial electronics.

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.

Influence of electron correlation on the cross section and linear polarization of radiation emitted by electron-impact excitation of Ca+ and Ba+ ions

NASA Astrophysics Data System (ADS)

Chen, Zhan-Bin

2018-04-01

Calculations of the electron-impact excitation (EIE) of singly charged Ca+ and Ba+ ions and subsequent de-excitation process are performed using a fully relativistic distorted wave (RDW) method. To resolve the discrepancy between previous theory and experiment, careful consideration is given to the generation of the target state wave-functions through the systematic inclusion of electron correlations. It is found that the electron correlation effects play a significant role on the cross section, while the effects on the linear polarization of the emitted radiation are relatively small. Good agreement between our result and experiment is obtained.

Wormholes, emergent gauge fields, and the weak gravity conjecture

DOE PAGES

Harlow, Daniel

2016-01-20

This paper revisits the question of reconstructing bulk gauge fields as boundary operators in AdS/CFT. In the presence of the ormhole dual to the thermo field double state of two CFTs, the existence of bulk gauge fields is in some tension with the microscopic tensor factorization of the Hilbert space. Here, I explain how this tension can be resolved by splitting the gauge field into charged constituents, and I argue that this leads to a new argument for the "principle of completeness", which states that the charge lattice of a gauge theory coupled to gravity must be fully populated. Imore » also claim that it leads to a new motivation for (and a clarification of) the "weak gravity conjecture", which I interpret as a strengthening of this principle. This setup gives a simple example of a situation where describing low-energy bulk physics in CFT language requires knowledge of high-energy bulk physics. Furthermore, this contradicts to some extent the notion of "effective conformal field theory", but in fact is an expected feature of the resolution of the black hole information problem. An analogous factorization issue exists also for the gravitational field, and I comment on several of its implications for reconstructing black hole interiors and the emergence of spacetime more generally.« less

Quantum interference in laser spectroscopy of highly charged lithiumlike ions

NASA Astrophysics Data System (ADS)

Amaro, Pedro; Loureiro, Ulisses; Safari, Laleh; Fratini, Filippo; Indelicato, Paul; Stöhlker, Thomas; Santos, José Paulo

2018-02-01

We investigate the quantum interference induced shifts between energetically close states in highly charged ions, with the energy structure being observed by laser spectroscopy. In this work, we focus on hyperfine states of lithiumlike heavy-Z isotopes and quantify how much quantum interference changes the observed transition frequencies. The process of photon excitation and subsequent photon decay for the transition 2 s →2 p →2 s is implemented with fully relativistic and full-multipole frameworks, which are relevant for such relativistic atomic systems. We consider the isotopes 79+207Pb and 80+209Bi due to experimental interest, as well as other examples of isotopes with lower Z , namely 56+141Pr and 64+165Ho. We conclude that quantum interference can induce shifts up to 11% of the linewidth in the measurable resonances of the considered isotopes, if interference between resonances is neglected. The inclusion of relativity decreases the cross section by 35%, mainly due to the complete retardation form of the electric dipole multipole. However, the contribution of the next higher multipoles (e.g., magnetic quadrupole) to the cross section is negligible. This makes the contribution of relativity and higher-order multipoles to the quantum interference induced shifts a minor effect, even for heavy-Z elements.

3D Band Diagram and Photoexcitation of 2D–3D Semiconductor Heterojunctions

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

Li, Bo; Shi, Gang; Lei, Sidong

2015-08-17

The emergence of a rich variety of two-dimensional (2D) layered semiconductor materials has enabled the creation of atomically thin heterojunction devices. Junctions between atomically thin 2D layers and 3D bulk semiconductors can lead to junctions that are fundamentally electronically different from the covalently bonded conventional semiconductor junctions. In this paper, we propose a new 3D band diagram for the heterojunction formed between n-type monolayer MoS 2 and p-type Si, in which the conduction and valence band-edges of the MoS 2 monolayer are drawn for both stacked and in-plane directions. This new band diagram helps visualize the flow of charge carriersmore » inside the device in a 3D manner. Our detailed wavelength-dependent photocurrent measurements fully support the diagrams and unambiguously show that the band alignment is type I for this 2D-3D heterojunction. Photogenerated electron–hole pairs in the atomically thin monolayer are separated and driven by an external bias and control the “on/off” states of the junction photodetector device. Finally, two photoresponse regimes with fast and slow relaxation are also revealed in time-resolved photocurrent measurements, suggesting the important role played by charge trap states.« less

Charge state manipulation of qubits in diamond

PubMed Central

Grotz, Bernhard; Hauf, Moritz V.; Dankerl, Markus; Naydenov, Boris; Pezzagna, Sébastien; Meijer, Jan; Jelezko, Fedor; Wrachtrup, Jörg; Stutzmann, Martin; Reinhard, Friedemann; Garrido, Jose A.

2012-01-01

The nitrogen-vacancy (NV) centre in diamond is a promising candidate for a solid-state qubit. However, its charge state is known to be unstable, discharging from the qubit state NV− into the neutral state NV0 under various circumstances. Here we demonstrate that the charge state can be controlled by an electrolytic gate electrode. This way, single centres can be switched from an unknown non-fluorescent state into the neutral charge state NV0, and the population of an ensemble of centres can be shifted from NV0 to NV−. Numerical simulations confirm the manipulation of the charge state to be induced by the gate-controlled shift of the Fermi level at the diamond surface. This result opens the way to a dynamic control of transitions between charge states and to explore hitherto inaccessible states, such as NV+. PMID:22395620

Role of entropy and structural parameters in the spin-state transition of LaCoO3

NASA Astrophysics Data System (ADS)

Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

2017-11-01

The spin-state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent density functional theory + embedded dynamical mean field theory (DFT+DMFT). We show from first principles that LaCoO3 cannot be described by a single, pure spin state at any temperature. Instead, we observe a gradual change in the population of higher-spin multiplets with increasing temperature, with the high-spin multiplets being excited at the onset of the spin-state transition followed by the intermediate-spin multiplets being excited at the metal-insulator-transition temperature. We explicitly elucidate the critical role of lattice expansion and oxygen octahedral rotations in the spin-state transition. We also reproduce, from first principles, that the spin-state transition and the metal-insulator transition in LaCoO3 occur at different temperature scales. In addition, our results shed light on the importance of electronic entropy in driving the spin-state transition, which has so far been ignored in all first-principles studies of this material.

Charge state distribution of 86Kr in hydrogen and helium gas charge strippers at 2.7 MeV /nucleon

NASA Astrophysics Data System (ADS)

Kuboki, H.; Okuno, H.; Hasebe, H.; Fukunishi, N.; Ikezawa, E.; Imao, H.; Kamigaito, O.; Kase, M.

2014-12-01

The charge state distributions of krypton (86Kr) with an energy of 2.7 MeV /nucleon were measured using hydrogen (H2 ) and helium (He) gas charge strippers. A differential pumping system was constructed to confine H2 and He gases to a thickness sufficient for the charge state distributions to attain equilibrium. The mean charge states of 86Kr in H2 and He gases attained equilibrium at 25.1 and 23.2, respectively, whereas the mean charge state in N2 gas at equilibrium was estimated to be less than 20. The charge distributions are successfully reproduced by the cross sections of ionization and electron capture processes optimized by a fitting procedure.

A Fully Implantable, NFC Enabled, Continuous Interstitial Glucose Monitor

PubMed Central

Anabtawi, Nijad; Freeman, Sabrina; Ferzli, Rony

2017-01-01

This work presents an integrated system-on-chip (SoC) that forms the core of a long-term, fully implantable, battery assisted, passive continuous glucose monitor. It integrates an amperometric glucose sensor interface, a near field communication (NFC) wireless front-end and a fully digital switched mode power management unit for supply regulation and on board battery charging. It uses 13.56 MHz (ISM) band to harvest energy and backscatter data to an NFC reader. System was implemented in 14nm CMOS technology and validated with post layout simulations. PMID:28702512

A Fully Implantable, NFC Enabled, Continuous Interstitial Glucose Monitor.

PubMed

Anabtawi, Nijad; Freeman, Sabrina; Ferzli, Rony

2016-02-01

This work presents an integrated system-on-chip (SoC) that forms the core of a long-term, fully implantable, battery assisted, passive continuous glucose monitor. It integrates an amperometric glucose sensor interface, a near field communication (NFC) wireless front-end and a fully digital switched mode power management unit for supply regulation and on board battery charging. It uses 13.56 MHz (ISM) band to harvest energy and backscatter data to an NFC reader. System was implemented in 14nm CMOS technology and validated with post layout simulations.

Charge Identification of Highly Ionizing Particles in Desensitized Nuclear Emulsion Using High Speed Read-Out System

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

Toshito, T.; Kodama, K.; Yusa, K.

2006-05-10

We performed an experimental study of charge identification of heavy ions from helium to carbon having energy of about 290 MeV/u using an emulsion chamber. Emulsion was desensitized by means of forced fading (refreshing) to expand a dynamic range of response to highly charged particles. For the track reconstruction and charge identification, the fully automated high speed emulsion read-out system, which was originally developed for identifying minimum ionizing particles, was used without any modification. Clear track by track charge identification up to Z=6 was demonstrated. The refreshing technique has proved to be a powerful technique to expand response of emulsionmore » film to highly ionizing particles.« less

Intermetallic negative electrodes for non-aqueous lithium cells and batteries

DOEpatents

Thackeray, Michael M.; Vaughey, John T.; Johnson, Christopher S.; Fransson, Linda M.; Edstrom, Ester Kristina; Henriksen, Gary

2004-05-04

A method of operating an electrochemical cell is disclosed. The cell has an intermetallic negative electrode of Cu.sub.6-x M.sub.x Sn.sub.5, wherein x is .ltoreq.3 and M is one or more metals including Si and a positive electrode containing Li in which Li is shuttled between the positive electrode and the negative electrode during charge and discharge to form a lithiated intermetallic negative electrode during charge. The voltage of the electrochemical cell is controlled during the charge portion of the charge-discharge cycles so that the potential of the lithiated intermetallic negative electrode in the fully charged electrochemical cell is less than 0.2 V but greater than 0 V versus metallic lithium.

Charge Transfer Rate in Collisions of H + Ions with Si Atoms

NASA Astrophysics Data System (ADS)

Kimura, M.; Sannigrahi, A. B.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Shimamura, I.

1996-12-01

Charge transfer in Si(3P, 1D) + H+ collisions is studied theoretically by using a semiclassical molecular representation with six molecular channels for the triplet manifold and four channels for the singlet manifold at collision energies above 30 eV, and by using a fully quantum mechanical approach with two molecular channels for both triplet and singlet manifolds below 30 eV. The ab initio potential curves and nonadiabatic coupling matrix elements for the HSi+ system are obtained from multireference single- and double-excitation configuration interaction (MRD-CI) calculations employing a relatively large basis set. The present rate coefficients for charge transfer to Si+(4P) formation resulting from H+ + Si(3P) collisions are found to be large with values from 1 x 10-10 cm-3 s-1 at 1000 K to 1 x 10-8 cm-3 s-1 at 100,000 K. The rate coefficient for Si+(2P) formation, resulting from H+ + Si(3P) collisions, is found to be much smaller because of a larger energy defect from the initial state. These calculated rates are much larger than those reported by Baliunas & Butler, who estimated a value of 10-11 cm-3 s-1 in their coronal plasma study. The present result may be relevant to the description of the silicon ionization equilibrium.

The effect of copper and silver on the properties of Au-ZnO catalyst and its activity in glycerol oxidation

NASA Astrophysics Data System (ADS)

Kaskow, Iveta; Decyk, Piotr; Sobczak, Izabela

2018-06-01

The goal of this work was to use ZnO as a support for gold and copper (Au-Cu system) or gold and silver (Au-Ag system) and comparison of the effect of copper and silver on the properties of gold and its activity in glycerol oxidation with oxygen in the liquid phase. The samples prepared were fully characterized by XRD, TEM techniques and UV-vis, XPS, ESR spectroscopic methods. It was found that the introduction of copper and silver changed the electronic state of gold loaded on ZnO by the electron transfer between metals. Three different metallic gold species were identified in calcined catalysts: (Au°)δ- (Au-ZnO), (Au°)η- (AuCu-ZnO) and (Au°)γ- (AuAg-ZnO), where δ-,η-,γ- indicate a different partial negative charge on metallic gold and γ > δ > η. The results showed that (Au°)η- centers (metallic gold with the lowest negative charge) formed on AuCu-ZnO were the most active in glycerol oxidation. The increase in the negative charge on metallic gold loaded on AuAg-ZnO reduced the gold activity in silver containing sample. The glyceric acid adsorption and desorption rate influenced the selectivity of the catalysts.

Production of bare argon, manganese, iron and nickel nuclei in the Dresden EBIT

NASA Astrophysics Data System (ADS)

Kentsch, U.; Zschornack, G.; Großmann, F.; Ovsyannikov, V. P.; Ullmann, F.; Fritzsche, S.; Surzhykov, A.

2002-02-01

The production of highly charged argon, manganese, iron and nickel ions in a room-temperature electron beam ion trap (EBIT), the Dresden EBIT, has been investigated by means of energy dispersive X-ray spectroscopy of the direct excitation (DE) and radiative recombination (RR) processes. To derive the charge state distributions of the ions in the trap, direct excitation and radiative recombination cross-sections were calculated at electron energies of 8 and 14.4 keV. Based on these theoretical cross-sections and the measured X-ray spectra, the ion densities and the absolute number of ions, which are trapped in the electron beam, are determined for argon, manganese, iron and nickel. Emphasis has been paid to the highly charged ions, including the helium-like and hydrogen-like ions and bare nuclei. In the case of iron we also determined the contributions from lower ionization stages from DE transition lines. It is shown, that in the Dresden EBIT elements at least up to nickel can be fully ionized. Beside energy dispersive spectroscopy it is shown for iron by wavelength dispersive X-ray spectroscopy that with a comparably high gas pressure in the order of 10 -8 mbar carbon-, boron-, beryllium-, lithium- and helium-like iron ions can be produced.

A supersaturating delivery system of silibinin exhibiting high payload achieved by amorphous nano-complexation with chitosan.

PubMed

Nguyen, Minh-Hiep; Yu, Hong; Dong, Bingxue; Hadinoto, Kunn

2016-06-30

The therapeutic potentials of silibinin - a phytochemical isolated from milk thistle plants - have not been fully realized due to its poor oral bioavailability caused by the low aqueous solubility. Existing solubility enhancement strategies of silibinin by nanonization were limited by their low payload. Herein we developed a supersaturating delivery system of silibinin exhibiting a high payload (≈76%) in the form of amorphous silibinin-chitosan nanoparticle complex (or silibinin nanoplex in short) prepared by self-assembly drug-polysaccharide complexation. The effects of (1) pH and (2) charge ratio of chitosan to silibinin on the nanoplex's physical characteristics (i.e. size, zeta potential, and payload) and preparation efficiency (i.e. silibinin utilization, overall yield) were investigated. The formation of nanoplex (≈240nm) was feasible only in a narrow pH range (5.1-5.8) and favored charge ratio below unity. At the optimal condition (pH 5.8 and charge ratio of 0.30), the nanoplex preparation exhibited 87% silibinin utilization rate and 63% yield signifying its high efficiency. The amorphous state and colloidal stabilities of the nanoplex during storage, and prolonged supersaturation generation (3h) at more than 10× of the saturation solubility were successfully demonstrated. Copyright © 2016 Elsevier B.V. All rights reserved.

Calculation of rates of exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces

NASA Astrophysics Data System (ADS)

Vázquez, Héctor; Troisi, Alessandro

2013-11-01

We investigate the process of exciton dissociation in ordered and disordered model donor/acceptor systems and describe a method to calculate exciton dissociation rates. We consider a one-dimensional system with Frenkel states in the donor material and states where charge transfer has taken place between donor and acceptor. We introduce a Green's function approach to calculate the generation rates of charge-transfer states. For disorder in the Frenkel states we find a clear exponential dependence of charge dissociation rates with exciton-interface distance, with a distance decay constant β that increases linearly with the amount of disorder. Disorder in the parameters that describe (final) charge-transfer states has little effect on the rates. Exciton dissociation invariably leads to partially separated charges. In all cases final states are “hot” charge-transfer states, with electron and hole located far from the interface.

Charge Mediated Compaction and Rearrangement of Gas-Phase Proteins: A Case Study Considering Two Proteins at Opposing Ends of the Structure-Disorder Continuum

NASA Astrophysics Data System (ADS)

Jhingree, Jacquelyn R.; Bellina, Bruno; Pacholarz, Kamila J.; Barran, Perdita E.

2017-07-01

Charge reduction in the gas phase provides a direct means of manipulating protein charge state, and when coupled to ion mobility mass spectrometry (IM-MS), it is possible to monitor the effect of charge on protein conformation in the absence of solution. Use of the electron transfer reagent 1,3-dicyanobenzene, coupled with IM-MS, allows us to monitor the effect of charge reduction on the conformation of two proteins deliberately chosen from opposite sides of the order to disorder continuum: bovine pancreatic trypsin inhibitor (BPTI) and beta casein. The ordered BPTI presents compact conformers for each of three charge states accompanied by narrow collision cross-section distributions (TWCCSDN2→He). Upon reduction of BPTI, irrespective of precursor charge state, the TWCCSN2→He decreases to a similar distribution as found for the nESI generated ion of identical charge. The behavior of beta casein upon charge reduction is more complex. It presents over a wide charge state range (9-28), and intermediate charge states (13-18) have broad TWCCSDN2→He with multiple conformations, where both compaction and rearrangement are seen. Further, we see that the TWCCSDN2→He of the latter charge states are even affected by the presence of radical anions. Overall, we conclude that the flexible nature of some proteins result in broad conformational distributions comprised of many families, even for single charge states, and the barrier between different states can be easily overcome by an alteration of the net charge.

Electrochemical cell with high discharge/charge rate capability

DOEpatents

Redey, Laszlo

1988-01-01

A fully charged positive electrode composition for an electrochemical cell includes FeS.sub.2 and NiS.sub.2 in about equal molar amounts along with about 2-20 mole percent of the reaction product Li.sub.2 S. Through selection of appropriate electrolyte compositions, high power output or low operating temperatures can be obtained. The cell includes a substantially constant electrode impedance through most of its charge and discharge range. Exceptionally high discharge rates and overcharge protection are obtainable through use of the inventive electrode composition.

Self-consistent electronic structure of disordered Fe/sub 0. 65/Ni/sub 0. 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1985-04-15

We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe/sub 0.65/Ni/sub 0.35/. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko--Wilk--Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the verymore » structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality.« less

Self-consistent electronic structure of disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1984-01-01

We present the results of the first ab-initio calculation of the electronic structure of a disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/ alloy. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin-polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko-Wilk-Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder; whereas, the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared tomore » the very structured majority spin density of states. This difference is due to a subtle balance between exchange-splitting and charge neutrality. 15 references, 2 figures.« less

Silicon Qubits

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

Ladd, Thaddeus D.; Carroll, Malcolm S.

2018-02-28

Silicon is a promising material candidate for qubits due to the combination of worldwide infrastructure in silicon microelectronics fabrication and the capability to drastically reduce decohering noise channels via chemical purification and isotopic enhancement. However, a variety of challenges in fabrication, control, and measurement leaves unclear the best strategy for fully realizing this material’s future potential. In this article, we survey three basic qubit types: those based on substitutional donors, on metal-oxide-semiconductor (MOS) structures, and on Si/SiGe heterostructures. We also discuss the multiple schema used to define and control Si qubits, which may exploit the manipulation and detection of amore » single electron charge, the state of a single electron spin, or the collective states of multiple spins. Far from being comprehensive, this article provides a brief orientation to the rapidly evolving field of silicon qubit technology and is intended as an approachable entry point for a researcher new to this field.« less

Light-induced nonadiabatic dynamics in molecular assemblies and nanostructures

NASA Astrophysics Data System (ADS)

Mitric, Roland

The combination of mixed quantum-classical dynamics with efficient electronic structure methods was developed in order to simulate the light-induced processes in complex molecules, multichromophoric aggregates and metallic nanostructures. We will demonstrate how the combination of nonadiabatic dynamics with experimental pump-probe techniques such as time-resolved photoelectron imaging (TRPEI) allows to fully resolve the mechanism of excited state relaxation through conical intersections in several prototype organic- and biomolecules. Specifically, the role of the solvent in the excited state relaxation in microsolvated and fully solvated systems will be addressed. Currently there is growing evidence that nonadiabatic relaxation processes also play a fundamental role in determining the efficiency of excitonic transfer or charge injection in multichromophoric assemblies. Since such systems are currently out of the reach of the state-of-the-art quantum chemistry a development of even more efficient quantum chemical approaches is necessary in order to describe the excited state dynamics in such assemblies. For this purpose we have recently developed long-range corrected time-dependent density functional tight binding (LC-TDDFTB) nonadiabatic dynamics and combined it with the QM/MM approach in order to simulate exciton relaxation in complex systems. The applications of the method to the investigation of the optical properties and dynamics in multichromophoric assemblies including stacked pi-conjugated organic chromophores, model molecular crystals as well as self-organized dye aggregates will be presented. Finally, we will address exciton transport dynamics coupled with the light propagation in hybrid exciton-plasmon nanostructures, which represent promising materials fort the development of novel light-harvesting systems.

Air Force Ni-H2 cell test program: State of Charge test

NASA Technical Reports Server (NTRS)

Moore, Bruce; Smellie, Douglas

1995-01-01

Nickel-Hydrogen cells are being cycled under a LEO (low earth orbit) test regime to examine the benefits of operating the cells at lower States of Charge (SOC) than typically used. A group of four cells are cycled using a voltage limiting charge regime that limits the State of Charge that the cells are allowed to reach. The test cells are then compared to identical cells being cycled at or near 100% State of Charge using a constant current charge regime.

Alternative Fuels Data Center: Louisiana State University: The State's

Science.gov Websites

First Workplace Charging Challenge Partner Louisiana State University: The State's First State University: The State's First Workplace Charging Challenge Partner on Facebook Tweet about Alternative Fuels Data Center: Louisiana State University: The State's First Workplace Charging Challenge

Domain cooperativity in the β1a subunit is essential for dihydropyridine receptor voltage sensing in skeletal muscle

PubMed Central

Dayal, Anamika; Bhat, Vinayakumar; Franzini-Armstrong, Clara; Grabner, Manfred

2013-01-01

The dihydropyridine receptor (DHPR) β1a subunit is crucial for enhancement of DHPR triad expression, assembly of DHPRs in tetrads, and elicitation of DHPRα1S charge movement—the three prerequisites of skeletal muscle excitation–contraction coupling. Despite the ability to fully target α1S into triadic junctions and tetradic arrays, the neuronal isoform β3 was unable to restore considerable charge movement (measure of α1S voltage sensing) upon expression in β1-null zebrafish relaxed myotubes, unlike the other three vertebrate β-isoforms (β1a, β2a, and β4). Thus, we used β3 for chimerization with β1a to investigate whether any of the five distinct molecular regions of β1a is dominantly involved in inducing the voltage-sensing function of α1S. Surprisingly, systematic domain swapping between β1a and β3 revealed a pivotal role of the src homology 3 (SH3) domain and C terminus of β1a in charge movement restoration. More interestingly, β1a SH3 domain and C terminus, when simultaneously engineered into β3 sequence background, were able to fully restore charge movement together with proper intracellular Ca2+ release, suggesting cooperativity of these two domains in induction of the α1S voltage-sensing function in skeletal muscle excitation–contraction coupling. Furthermore, substitution of a proline by alanine in the putative SH3-binding polyproline motif in the proximal C terminus of β1a (also of β2a and β4) fully obstructed α1S charge movement. Consequently, we postulate a model according to which β subunits, probably via the SH3–C-terminal polyproline interaction, adapt a discrete conformation required to modify the α1S conformation apt for voltage sensing in skeletal muscle. PMID:23589859

Domain cooperativity in the β1a subunit is essential for dihydropyridine receptor voltage sensing in skeletal muscle.

PubMed

Dayal, Anamika; Bhat, Vinayakumar; Franzini-Armstrong, Clara; Grabner, Manfred

2013-04-30

The dihydropyridine receptor (DHPR) β1a subunit is crucial for enhancement of DHPR triad expression, assembly of DHPRs in tetrads, and elicitation of DHPRα1S charge movement--the three prerequisites of skeletal muscle excitation-contraction coupling. Despite the ability to fully target α1S into triadic junctions and tetradic arrays, the neuronal isoform β3 was unable to restore considerable charge movement (measure of α1S voltage sensing) upon expression in β1-null zebrafish relaxed myotubes, unlike the other three vertebrate β-isoforms (β1a, β2a, and β4). Thus, we used β3 for chimerization with β1a to investigate whether any of the five distinct molecular regions of β1a is dominantly involved in inducing the voltage-sensing function of α1S. Surprisingly, systematic domain swapping between β1a and β3 revealed a pivotal role of the src homology 3 (SH3) domain and C terminus of β1a in charge movement restoration. More interestingly, β1a SH3 domain and C terminus, when simultaneously engineered into β3 sequence background, were able to fully restore charge movement together with proper intracellular Ca(2+) release, suggesting cooperativity of these two domains in induction of the α1S voltage-sensing function in skeletal muscle excitation-contraction coupling. Furthermore, substitution of a proline by alanine in the putative SH3-binding polyproline motif in the proximal C terminus of β1a (also of β2a and β4) fully obstructed α1S charge movement. Consequently, we postulate a model according to which β subunits, probably via the SH3-C-terminal polyproline interaction, adapt a discrete conformation required to modify the α1S conformation apt for voltage sensing in skeletal muscle.

Modelling the competition between photo-darkening and photo-bleaching effects in high-power ytterbium-doped fibre amplifiers

NASA Astrophysics Data System (ADS)

Jolly, A.; Vinçont, C.; Pierre, Ch.; Boullet, J.

2017-08-01

We propose an innovative, fully space-time model to take into account the seed-dependent nature of ageing penalties in high-power ytterbium-doped fibre amplifiers. Ageing is shown to be based on the on-going competition between photo-darkening and photo-bleaching phenomena. Our approach is based on the natural interplay between the excited states of co-existing ytterbium pairs and colour centres in highly doped fibres, in the presence of thermal coupling between the closely spaced excited states. As initiated from IR photons, the excitation of colour centres up to the UV band is supposed to be governed by multi-photon absorption. The interactions of interest in the kinetics of photo-bleaching then take the form of highly efficient charge transfers, which imply the reduction of some fraction of the basically trivalent ions to their divalent state. Due to the activation of ytterbium pairs by means of energy transfer up-conversion, these interactions get more and more effective at elevated operating powers. Computational results using these principles actually help to fit our experimental data regarding seeding effects, as well as fully generic trends already evidenced in the literature. This gives a fine demonstration for the need to discriminate co-active pump and signal contributions. Our self-consistent, still simplified model then consists of a valuable tool to help for a deeper understanding of the ageing issues. Furthermore, considering higher-order ytterbium aggregates, this should open new routes towards more comprehensive models.

Radiative double electron capture in collisions of fully-stripped fluorine ions with thin carbon foils

NASA Astrophysics Data System (ADS)

Elkafrawy, Tamer Mohammad Samy

Radiative double electron capture (RDEC) is a one-step process in ion-atom collisions occurring when two target electrons are captured to a bound state of the projectile simultaneously with the emission of a single photon. The emitted photon has approximately double the energy of the photon emitted due to radiative electron capture (REC), which occurs when a target electron is captured to a projectile bound state with simultaneous emission of a photon. REC and RDEC can be treated as time-reversed photoionization (PI) and double photoionization (DPI), respectively, if loosely-bound target electrons are captured. This concept can be formulated with the principle of detailed balance, in which the processes of our interest can be described in terms of their time-reversed ones. Fully-stripped ions were used as projectiles in the performed RDEC experiments, providing a recipient system free of electron-related Coulomb fields. This allows the target electrons to be transferred without interaction with any of the projectile electrons, enabling accurate investigation of the electron-electron interaction in the vicinity of electromagnetic field. In this dissertation, RDEC was investigated during the collision of fully-stripped fluorine ions with a thin carbon foil and the results are compared with the recent experimental and theoretical studies. In the current work, x rays associated with projectile charge-changing by single and double electron capture and no charge change by F9+ ions were observed and compared with recent work for O8+ ions and with theory. Both the F 9+ and O8+ ions had energies in the ˜MeV/u range. REC, in turn, was investigated as a means to compare with the theoretical predictions of the RDEC/REC cross section ratio. The most significant background processes including various mechanisms of x-ray emission that may interfere with the energy region of interest are addressed in detail. This enables isolation of the contributions of REC and RDEC from the entire continuous spectrum of x-ray emission or at least ensures that the background processes have negligible contribution to the energy range of interest. Special emphasis is given to showing how the data analysis was carried out by the subtraction of the x rays due to contamination lines.

Despite Resources From The ACA, Most States Do Little To Help Addiction Treatment Programs Implement Health Care Reform.

PubMed

Andrews, Christina; Abraham, Amanda; Grogan, Colleen M; Pollack, Harold A; Bersamira, Clifford; Humphreys, Keith; Friedmann, Peter

2015-05-01

The Affordable Care Act (ACA) dramatically expands health insurance for addiction treatment and provides unprecedented opportunities for service growth and delivery model reform. Yet most addiction treatment programs lack the staffing and technological capabilities to respond successfully to ACA-driven system change. In light of these challenges, we conducted a national survey to examine how Single State Agencies for addiction treatment--the state governmental organizations charged with overseeing addiction treatment programs--are helping programs respond to new requirements under the ACA. We found that most Single State Agencies provide little assistance to addiction treatment programs. Most agencies are helping programs develop collaborations with other health service programs. However, fewer than half reported providing help in modernizing systems to support insurance participation, and only one in three provided assistance with enrollment outreach. In the absence of technical assistance, it is unlikely that addiction treatment programs will fully realize the ACA's promise to improve access to and quality of addiction treatment. Project HOPE—The People-to-People Health Foundation, Inc.

Detection of High Energy Cosmic Ray with the Advanced Thin Ionization Calorimeter (ATIC)

NASA Technical Reports Server (NTRS)

Fazely, Ali R.

2003-01-01

ATIC is a balloon-borne investigation of cosmic ray spectra, from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Gemmate (BGO) calorimeter. It is equipped with the first large area mosaic of small fully depleted silicon detector pixels capable of charge identification in cosmic rays from H to Fe. As a redundancy check for the charge identification and a coarse particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the center and below a Carbon interaction 'target'. Very high energy gamma-rays and their energy spectrum may provide insight to the flux of extremely high energy neutrinos which will be investigated in detail with several proposed cubic kilometer scale neutrino observatories in the next decade.

Charge Exchange in Slow Collisions of O+ with He

NASA Astrophysics Data System (ADS)

Zhao, L. B.; Joseph, D. C.; Saha, B. C.; Lebermann, H. P.; Funke, P.; Buenker, R. J.

2009-03-01

A comparative study is reported for the charge transfer in collisions of O^+ with He using the fully quantal and semiclassical molecular-orbital close-coupling (MOCC) approaches in the adiabatic representation. The electron capture processes O^+(^4S^o, ^2D^o, ^2P^o) + He -> O(^3P) + He^+ are recalculated. The semiclassical MOCC approach was examined by a detailed comparision of cross sections and transition probabilities from both the fully quantal and semiclassical MOCC approaches. The discrepancies reported previously between the semiclassical and the quantal MOCC cross sections may be attributed due to the insufficient step-size resolution of the semiclassical calculations. Our results are also compared with the experimental cross sections and found good agreements. This work is supported by NSF, CREST program (Grant#0630370).

Simulation of charge breeding of rubidium using Monte Carlo charge breeding code and generalized ECRIS model

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

Zhao, L.; Cluggish, B.; Kim, J. S.

2010-02-15

A Monte Carlo charge breeding code (MCBC) is being developed by FAR-TECH, Inc. to model the capture and charge breeding of 1+ ion beam in an electron cyclotron resonance ion source (ECRIS) device. The ECRIS plasma is simulated using the generalized ECRIS model which has two choices of boundary settings, free boundary condition and Bohm condition. The charge state distribution of the extracted beam ions is calculated by solving the steady state ion continuity equations where the profiles of the captured ions are used as source terms. MCBC simulations of the charge breeding of Rb+ showed good agreement with recentmore » charge breeding experiments at Argonne National Laboratory (ANL). MCBC correctly predicted the peak of highly charged ion state outputs under free boundary condition and similar charge state distribution width but a lower peak charge state under the Bohm condition. The comparisons between the simulation results and ANL experimental measurements are presented and discussed.« less

Charge states and lattice sites of dilute implanted Sn in ZnO

NASA Astrophysics Data System (ADS)

Mølholt, T. E.; Gunnlaugsson, H. P.; Johnston, K.; Mantovan, R.; Röder, J.; Adoons, V.; Mokhles Gerami, A.; Masenda, H.; Matveyev, Y. A.; Ncube, M.; Unzueta, I.; Bharuth-Ram, K.; Gislason, H. P.; Krastev, P.; Langouche, G.; Naidoo, D.; Ólafsson, S.; Zenkevich, A.; ISOLDE Collaboration

2017-04-01

The common charge states of Sn are 2+  and 4+. While charge neutrality considerations favour 2+  to be the natural charge state of Sn in ZnO, there are several reports suggesting the 4+  state instead. In order to investigate the charge states, lattice sites, and the effect of the ion implantation process of dilute Sn atoms in ZnO, we have performed 119Sn emission Mössbauer spectroscopy on ZnO single crystal samples following ion implantation of radioactive 119In (T ½  =  2.4 min) at temperatures between 96 K and 762 K. Complementary perturbed angular correlation measurements on 111mCd implanted ZnO were also conducted. Our results show that the 2+  state is the natural charge state for Sn in defect free ZnO and that the 4+  charge state is stabilized by acceptor defects created in the implantation process.

Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer

DOE PAGES

Dell'Angela, M.; Anniyev, T.; Beye, M.; ...

2015-03-01

Vacuum space charge-induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

Controlling the net charge on a nanoparticle optically levitated in vacuum

NASA Astrophysics Data System (ADS)

Frimmer, Martin; Luszcz, Karol; Ferreiro, Sandra; Jain, Vijay; Hebestreit, Erik; Novotny, Lukas

2017-06-01

Optically levitated nanoparticles in vacuum are a promising model system to test physics beyond our current understanding of quantum mechanics. Such experimental tests require extreme control over the dephasing of the levitated particle's motion. If the nanoparticle carries a finite net charge, it experiences a random Coulomb force due to fluctuating electric fields. This dephasing mechanism can be fully excluded by discharging the levitated particle. Here, we present a simple and reliable technique to control the charge on an optically levitated nanoparticle in vacuum. Our method is based on the generation of charges in an electric discharge and does not require additional optics or mechanics close to the optical trap.

Induced-Charge Enhancement of the Diffusion Potential in Membranes with Polarizable Nanopores

NASA Astrophysics Data System (ADS)

Ryzhkov, I. I.; Lebedev, D. V.; Solodovnichenko, V. S.; Shiverskiy, A. V.; Simunin, M. M.

2017-12-01

When a charged membrane separates two salt solutions of different concentrations, a potential difference appears due to interfacial Donnan equilibrium and the diffusion junction. Here, we report a new mechanism for the generation of a membrane potential in polarizable conductive membranes via an induced surface charge. It results from an electric field generated by the diffusion of ions with different mobilities. For uncharged membranes, this effect strongly enhances the diffusion potential and makes it highly sensitive to the ion mobilities ratio, electrolyte concentration, and pore size. Theoretical predictions on the basis of the space-charge model extended to polarizable nanopores fully agree with experimental measurements in KCl and NaCl aqueous solutions.

Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer.

PubMed

Dell'Angela, M; Anniyev, T; Beye, M; Coffee, R; Föhlisch, A; Gladh, J; Kaya, S; Katayama, T; Krupin, O; Nilsson, A; Nordlund, D; Schlotter, W F; Sellberg, J A; Sorgenfrei, F; Turner, J J; Öström, H; Ogasawara, H; Wolf, M; Wurth, W

2015-03-01

Vacuum space charge induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

Analytic model of a multi-electron atom

NASA Astrophysics Data System (ADS)

Skoromnik, O. D.; Feranchuk, I. D.; Leonau, A. U.; Keitel, C. H.

2017-12-01

A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis completeness allows us to employ the secondary-quantized representation for the construction of regular perturbation theory, which includes in a natural way correlation effects, converges fast and enables an effective calculation of the subsequent corrections. The hydrogen-like basis set provides a possibility to perform all summations over intermediate states in closed form, including both the discrete and continuous spectra. This is achieved with the help of the decomposition of the multi-particle Green function in a convolution of single-electronic Coulomb Green functions. We demonstrate that our fully analytical zeroth-order approximation describes the whole spectrum of the system, provides accuracy, which is independent of the number of electrons and is important for applications where the Thomas-Fermi model is still utilized. In addition already in second-order perturbation theory our results become comparable with those via a multi-configuration Hartree-Fock approach.

Analytic treatment of charge cloud overlaps: an improvement of the tomographic atom probe efficiency

NASA Astrophysics Data System (ADS)

Bas, P.; Bostel, A.; Grancher, G.; Deconihout, B.; Blavette, D.

1996-03-01

Although reliable position and composition data are obtained with the Tomographic Atom Probe, the procedure of position calculation by charge centroiding fails when the detector receives two or more ions with close spaced positions and the same mass-to-charge ratio. As the charge clouds of the ions overlap, they form a unique charge pattern on the multianode detector. Only one atom is represented and its position is biased. In order to estimate real positions, we have developed a correction method. The spatial distribution of charges inside a cloud issued from one impact is modelled by a Gaussian law. The particular properties of the Gaussian enable the calculation of exact positions of the two impacts of the overlapped charge patterns and charges of corresponding clouds. The calculation may be generalized for more than two overlapped clouds. The method was tested on a plane-by-plane analysis of a fully ordered Cu 3Au alloy performed on a (100) pole.

Charge states of ions, and mechanisms of charge ordering transitions

NASA Astrophysics Data System (ADS)

Pickett, Warren E.; Quan, Yundi; Pardo, Victor

2014-07-01

To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n-1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed.

Nickel-hydrogen battery state of charge during low rate trickle charging

NASA Technical Reports Server (NTRS)

Lurie, C.; Foroozan, S.; Brewer, J.; Jackson, L.

1996-01-01

The NASA AXAF-I program requires high battery state of charge at launch. Traditional approaches to providing high state of charge, during prelaunch operations, require significant battery cooling. The use of active cooling, in the AXAF-I prelaunch environment, was considered and proved to be difficult to implement and very expensive. Accordingly alternate approaches were considered. An approach utilizing adiabatic charging and low rate trickle charge, was investigated and proved successful.

ANATOMY OF DEPLETED INTERPLANETARY CORONAL MASS EJECTIONS

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

Kocher, M.; Lepri, S. T.; Landi, E.

We report a subset of interplanetary coronal mass ejections (ICMEs) containing distinct periods of anomalous heavy-ion charge state composition and peculiar ion thermal properties measured by ACE /SWICS from 1998 to 2011. We label them “depleted ICMEs,” identified by the presence of intervals where C{sup 6+}/C{sup 5+} and O{sup 7+}/O{sup 6+} depart from the direct correlation expected after their freeze-in heights. These anomalous intervals within the depleted ICMEs are referred to as “Depletion Regions.” We find that a depleted ICME would be indistinguishable from all other ICMEs in the absence of the Depletion Region, which has the defining property ofmore » significantly low abundances of fully charged species of helium, carbon, oxygen, and nitrogen. Similar anomalies in the slow solar wind were discussed by Zhao et al. We explore two possibilities for the source of the Depletion Region associated with magnetic reconnection in the tail of a CME, using CME simulations of the evolution of two Earth-bound CMEs described by Manchester et al.« less

Exciton delocalization incorporated drift-diffusion model for bulk-heterojunction organic solar cells

NASA Astrophysics Data System (ADS)

Wang, Zi Shuai; Sha, Wei E. I.; Choy, Wallace C. H.

2016-12-01

Modeling the charge-generation process is highly important to understand device physics and optimize power conversion efficiency of bulk-heterojunction organic solar cells (OSCs). Free carriers are generated by both ultrafast exciton delocalization and slow exciton diffusion and dissociation at the heterojunction interface. In this work, we developed a systematic numerical simulation to describe the charge-generation process by a modified drift-diffusion model. The transport, recombination, and collection of free carriers are incorporated to fully capture the device response. The theoretical results match well with the state-of-the-art high-performance organic solar cells. It is demonstrated that the increase of exciton delocalization ratio reduces the energy loss in the exciton diffusion-dissociation process, and thus, significantly improves the device efficiency, especially for the short-circuit current. By changing the exciton delocalization ratio, OSC performances are comprehensively investigated under the conditions of short-circuit and open-circuit. Particularly, bulk recombination dependent fill factor saturation is unveiled and understood. As a fundamental electrical analysis of the delocalization mechanism, our work is important to understand and optimize the high-performance OSCs.

Self-consistent pseudopotential calculation of the bulk properties of Mo and W

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

Zunger, A.; Cohen, M.L.

The bulk properties of Mo and W are calculated using the recently developed momentum-space approach for calculating total energy via a nonlocal pseudopotential. This approach avoids any shape approximation to the variational charge density (e.g., muffin tins), is fully self-consistent, and replaces the multidimensional and multicenter integrals akin to real-space representations by simple and readily convergent reciprocal-space lattice sums. We use first-principles atomic pseudopotentials which have been previously demonstrated to yield band structures and charge densities for both semiconductors and transition metals in good agreement with experiment and all-electron calculations. Using a mixed-basis representation for the crystalline wave function, wemore » are able to accurately reproduce both the localized and itinerant features of the electronic states in these systems. These first-principles pseudopotentials, together with the self-consistent density-functional representation for both the exchange and the correlation screening, yields agreement with experiment of 0.2% in the lattice parameters, 2% and 11% for the binding energies of Mo and W, respectively, and 12% and 7% for the bulk moduli of Mo and W, respectively.« less

Computing pKa Values with a Mixing Hamiltonian Quantum Mechanical/Molecular Mechanical Approach.

PubMed

Liu, Yang; Fan, Xiaoli; Jin, Yingdi; Hu, Xiangqian; Hu, Hao

2013-09-10

Accurate computation of the pKa value of a compound in solution is important but challenging. Here, a new mixing quantum mechanical/molecular mechanical (QM/MM) Hamiltonian method is developed to simulate the free-energy change associated with the protonation/deprotonation processes in solution. The mixing Hamiltonian method is designed for efficient quantum mechanical free-energy simulations by alchemically varying the nuclear potential, i.e., the nuclear charge of the transforming nucleus. In pKa calculation, the charge on the proton is varied in fraction between 0 and 1, corresponding to the fully deprotonated and protonated states, respectively. Inspired by the mixing potential QM/MM free energy simulation method developed previously [H. Hu and W. T. Yang, J. Chem. Phys. 2005, 123, 041102], this method succeeds many advantages of a large class of λ-coupled free-energy simulation methods and the linear combination of atomic potential approach. Theory and technique details of this method, along with the calculation results of the pKa of methanol and methanethiol molecules in aqueous solution, are reported. The results show satisfactory agreement with the experimental data.

Mechanical Abuse Simulation and Thermal Runaway Risks of Large-Format Li-ion Batteries

DOE PAGES

Wang, Hsin; Lara-Curzio, Edgar; Rule, Evan; ...

2017-01-11

Internal short circuit of large-format Li-ion cells induced by mechanical abuse was simulated using a modified mechanical pinch test. A torsion force was added manually at ~40% maximum compressive loading force during the pinch test. The cell was twisted about 5 degrees to the side by horizontally pulling a wire attached to the anode tab. The combined torsion-compression force created small enough failure at the separator and allowed testing of fully charged large format Li-ion cells without triggering thermal runaway. Two types of commercial cells were tested using 4-6 cells at each state-of-charge (SOC). The 18 Ah LiFePO 4 (LFP)more » and 25 Ah Li(NiMnCo) 1/3O 2 (NMC) cells were tested and the thermal runaway risk (TRR) score system was used to evaluate the safety risk of the cells under the same testing conditions. The aim is to provide the cell manufacturers and end users a tool to compare different designs and safety features.« less

Mechanical Abuse Simulation and Thermal Runaway Risks of Large-Format Li-ion Batteries

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

Wang, Hsin; Lara-Curzio, Edgar; Rule, Evan

Internal short circuit of large-format Li-ion cells induced by mechanical abuse was simulated using a modified mechanical pinch test. A torsion force was added manually at ~40% maximum compressive loading force during the pinch test. The cell was twisted about 5 degrees to the side by horizontally pulling a wire attached to the anode tab. The combined torsion-compression force created small enough failure at the separator and allowed testing of fully charged large format Li-ion cells without triggering thermal runaway. Two types of commercial cells were tested using 4-6 cells at each state-of-charge (SOC). The 18 Ah LiFePO 4 (LFP)more » and 25 Ah Li(NiMnCo) 1/3O 2 (NMC) cells were tested and the thermal runaway risk (TRR) score system was used to evaluate the safety risk of the cells under the same testing conditions. The aim is to provide the cell manufacturers and end users a tool to compare different designs and safety features.« less

Stripper foil failure modes and cures at the Spallation Neutron Source

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

Cousineau, Sarah M; Galambos, John D; Kim, Sang-Ho

2011-01-01

The Spallation Neutron Source comprises a 1 GeV, 1.4 MW linear accelerator followed by an accumulator ring and a liquid mercury target. To manage the beam loss caused by the $H^0$ excited states created during the $H^-$ charge exchange injection into the accumulator ring, the stripper foil is located inside one of the chicane dipoles. This has some interesting consequences that were not fully appreciated until the beam power reached about 840 kW. One consequence was sudden failure of the stripper foil system due to convoy electrons stripped from the incoming $H^-$ beam, which circled around to strike the foilmore » bracket and cause bracket failure. Another consequence is that convoy electrons can reflect back up from the electron catcher and strike the foil and bracket. An additional contributor to foil system failure is vacuum breakdown due to the charge developed on the foil by secondary electron emission. In this paper we detail these and other interesting failure mechanisms and describe the improvements we have made to mitigate them.« less

Stripper foil failure modes and cures at the Oak Rdige Spallation Neutron Source

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

Plum, M.A.; Raparia, D.; Cousineau, S.M.

2011-03-28

The Oak Ridge Spallation Neutron Source comprises a 1 GeV, 1.5 MW linear accelerator followed by an accumulator ring and a liquid mercury target. To manage the beam loss caused by the H{sup 0} excited states created during the H{sup -} charge-exchange injection into the accumulator ring, the stripper foil is located inside one of the chicane dipoles. This has some interesting consequences that were not fully appreciated until the beam power reached about 840 kW. One consequence was sudden failure of the stripper foil system due to convoy electrons stripped from the incoming H{sup -} beam, which circled aroundmore » to strike the foil bracket and cause bracket failure. Another consequence is that convoy electrons can reflect back up from the electron catcher and strike the foil and bracket. An additional contributor to foil system failure is vacuum breakdown due to the charge developed on the foil by secondary electron emission. In this paper we detail these and other interesting failure mechanisms and describe the improvements we have made to mitigate them.« less

Bias stress in PDI-CN2 and P3HT studied with Kelvin Probe Force Microscopy

NASA Astrophysics Data System (ADS)

Cao, Minxuan; Moscatello, Jason; Castaneda, Chloe; Xue, Binglan; Usluer, Ozlem; Briseno, Alejandro; Aidala, Katherine

We have developed a technique that uses scanning probe microscopy (SPM) to study the real-time injection and extraction of charge carriers in organic semiconductor devices. We investigate PDI-CN2 and P3HT in a back gate field effect transistor geometry with gold electrodes. By positioning the SPM tip at an individual location and using Kelvin probe microscopy to record the potential over time, we can record how the charge carriers respond to changing the gate voltage while the source and drain electrodes are grounded. We see relatively fast screening when carriers are injected into the film. The screening is slower when carriers must escape from traps to exit the film. By incrementally stepping the gate voltage, we can probe different trap depths. By repeating the measurement, we observe the development of longer lived trap states, shown by the longer time recorded to fully screen the gate voltage. This work is supported by NSF Grant DMR-0955348, and the Center for Heirarchical Manufacturing at the University of Massachusetts, Amherst (NSF CMMI-1025020).

Dynamics and mechanisms of interfacial photoinduced electron transfer processes of third generation photovoltaics and photocatalysis.

PubMed

Bauer, Christophe; Teuscher, Joël; Brauer, Jan C; Punzi, Angela; Marchioro, Arianna; Ghadiri, Elham; De Jonghe, Jelissa; Wielopolski, Mateusz; Banerji, Natalie; Moser, Jacques E

2011-01-01

Photoinduced electron transfer (PET) across molecular/bulk interfaces has gained attention only recently and is still poorly understood. These interfaces offer an excellent case study, pertinent to a variety of photovoltaic systems, photo- and electrochemistry, molecular electronics, analytical detection, photography, and quantum confinement devices. They play in particular a key role in the emerging fields of third-generation photovoltaic energy converters and artificial photosynthetic systems aimed at the production of solar fuels, creating a need for a better understanding and theoretical treatment of the dynamics and mechanisms of interfacial PET processes. We aim to achieve a fundamental understanding of these phenomena by designing experiments that can be used to test and alter modern theory and computational modeling. One example illustrating recent investigations into the details of the ultrafast processes that form the basis for photoinduced charge separation at a molecular/bulk interface relevant to dye-sensitized solar cells is briefly presented here: Kinetics of interfacial PET and charge recombination processes were measured by fs and ns transient spectroscopy in a heterogeneous donor-bridge-acceptor (D-B-A) system, where D is a Ru(II)(terpyridyl-PO3)(NCS)3 complex, B an oligo-p-phenylene bridge, and A nanocrystalline TiO2. The forward ET reaction was found to be faster than vibrational relaxation of the vibronic excited state of the donor. Instead, the back ET occurred on the micros time scale and involved fully thermalized species. The D-A distance dependence of the electron transfer rate was studied by varying the number of p-phenylene units contained in the bridge moiety. The remarkably low damping factor beta = 0.16 angstroms(-1) observed for the ultrafast charge injection from the dye excited state into the conduction band of TiO2 is attributed to the coupling of electron tunneling with nonequilibrium vibrations redistributed on the bridge, giving rise to polaronic transport of charges from the donor ligand to the acceptor solid oxide surface.

Conducting ion tracks generated by charge-selected swift heavy ions

NASA Astrophysics Data System (ADS)

Gupta, Srashti; Gehrke, H. G.; Krauser, J.; Trautmann, C.; Severin, D.; Bender, M.; Rothard, H.; Hofsäss, H.

2016-08-01

Conducting ion tracks in tetrahedral amorphous carbon (ta-C) thin films were generated by irradiation with swift heavy ions of well-defined charge state. The conductivity of tracks and the surface topography of the films, showing characteristic hillocks at each track position, were investigated using conductive atomic force microscopy measurements. The dependence of track conductivity and hillock size on the charge state of the ions was studied using 4.6 MeV/u Pb ions of charge state 53+, 56+ and 60+ provided by GANIL, as well as 4.8 MeV/u Bi and Au ions of charge state from 50+ to 61+ and 4.2 MeV/u 238U ions in equilibrium charge state provided by UNILAC of GSI. For the charge state selection at GSI, an additional stripper-foil system was installed at the M-branch that now allows routine irradiations with ions of selected charge states. The conductivity of tracks in ta-C increases significantly when the charge state increases from 51+ to 60+. However, the conductivity of individual tracks on the same sample still shows large variations, indicating that tracks formed in ta-C are either inhomogeneous or the conductivity is limited by the interface between ion track and Si substrate.

Effect of the radio frequency discharge on the dust charging process in a weakly collisional and fully ionized plasma

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

Motie, Iman; Bokaeeyan, Mahyar, E-mail: Mehyar9798@gmail.com

2015-02-15

A close analysis of dust charging process in the presence of radio frequency (RF) discharge on low pressure and fully ionized plasma for both weak and strong discharge's electric field is considered. When the electromagnetic waves pass throughout fully ionized plasma, the collision frequency of the plasma is derived. Moreover, the disturbed distribution function of plasma particles in the presence of the RF discharge is obtained. In this article, by using the Krook model, we separate the distribution function in two parts, the Maxwellian part and the perturbed part. The perturbed part of distribution can make an extra current, so-calledmore » the accretion rate of electron (or ion) current, towards a dust particle as a function of the average electron-ion collision frequency. It is proven that when the potential of dust grains increases, the accretion rate of electron current experiences an exponential reduction. Furthermore, the accretion rate of electron current for a strong electric field is relatively smaller than that for a weak electric field. The reasons are elaborated.« less

High-Performance Polymer Solar Cell with Single Active Material of Fully Conjugated Block Copolymer Composed of Wide-Band gap Donor and Narrow-Band gap Acceptor Blocks.

PubMed

Lee, Ji Hyung; Park, Chang Geun; Kim, Aesun; Kim, Hyung Jong; Kim, Youngseo; Park, Sungnam; Cho, Min Ju; Choi, Dong Hoon

2018-06-06

We synthesized a novel fully conjugated block copolymer, P3, in which a wide-band gap donor block (P1) was connected to a narrow-band gap acceptor block (P2). As P3 contains P1 block with a wide bandgap and P2 block with a narrow bandgap, it exhibits a very wide complementary absorption. Transient photoluminescence measurement using P3 dilute solution demonstrated intramolecular charge transfer between the P1 block and the P2 block, which was not observed in a P1/P2 blend solution. A P3 thin film showed complete PL quenching because the photoinduced inter-/intramolecular charge transfer states were effectively formed. This phenomenon can play an important role in the photovoltaic properties of P3-based polymer solar cells. A single active material polymer solar cell (SAMPSC) fabricated from P3 alone exhibited a high power conversion efficiency (PCE) of 3.87% with a high open-circuit voltage of 0.93 V and a short-circuit current of 8.26 mA/cm 2 , demonstrating a much better performance than a binary P1-/P2-based polymer solar cell (PCE = 1.14%). This result facilitates the possible improvement of the photovoltaic performance of SAMPSCs by inducing favorable nanophase segregation between p- and n blocks. In addition, owing to the high morphological stability of the block copolymer, excellent shelf-life was observed in a P3-based SAMPSC compared with a P1/P2-based PSC.

Study of B¯→Xuℓν¯ decays in BB¯ events tagged by a fully reconstructed B-meson decay and determination of |Vub|

NASA Astrophysics Data System (ADS)

Lees, J. P.; Poireau, V.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Milanes, D. A.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Brown, D. N.; Kerth, L. T.; Kolomensky, Yu. G.; Lynch, G.; Tackmann, K.; Koch, H.; Schroeder, T.; Asgeirsson, D. J.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; Khan, A.; Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Yushkov, A. N.; Bondioli, M.; Kirkby, D.; Lankford, A. J.; Mandelkern, M.; Stoker, D. P.; Atmacan, H.; Gary, J. W.; Liu, F.; Long, O.; Vitug, G. M.; Campagnari, C.; Hong, T. M.; Kovalskyi, D.; Richman, J. D.; West, C. A.; Eisner, A. M.; Kroseberg, J.; Lockman, W. S.; Martinez, A. J.; Schalk, T.; Schumm, B. A.; Seiden, A.; Cheng, C. H.; Doll, D. A.; Echenard, B.; Flood, K. T.; Hitlin, D. G.; Ongmongkolkul, P.; Porter, F. C.; Rakitin, A. Y.; Andreassen, R.; Dubrovin, M. S.; Huard, Z.; Meadows, B. T.; Sokoloff, M. D.; Sun, L.; Bloom, P. C.; Ford, W. T.; Gaz, A.; Nagel, M.; Nauenberg, U.; Smith, J. G.; Wagner, S. R.; Ayad, R.; Toki, W. H.; Spaan, B.; Kobel, M. J.; Schubert, K. R.; Schwierz, R.; Bernard, D.; Verderi, M.; Clark, P. J.; Playfer, S.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.; Munerato, M.; Negrini, M.; Petrella, A.; Piemontese, L.; Santoro, V.; Baldini-Ferroli, R.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Nicolaci, M.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.; Contri, R.; Guido, E.; Lo Vetere, M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Bhuyan, B.; Prasad, V.; Lee, C. L.; Morii, M.; Edwards, A. J.; Adametz, A.; Marks, J.; Uwer, U.; Bernlochner, F. U.; Ebert, M.; Lacker, H. M.; Lueck, T.; Dauncey, P. D.; Tibbetts, M.; Behera, P. K.; Mallik, U.; Chen, C.; Cochran, J.; Meyer, W. T.; Prell, S.; Rosenberg, E. I.; Rubin, A. E.; Gritsan, A. V.; Guo, Z. J.; Arnaud, N.; Davier, M.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Roudeau, P.; Schune, M. H.; Stocchi, A.; Wormser, G.; Lange, D. J.; Wright, D. M.; Bingham, I.; Chavez, C. A.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.; Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Sigamani, M.; Cowan, G.; Brown, D. N.; Davis, C. L.; Denig, A. G.; Fritsch, M.; Gradl, W.; Hafner, A.; Prencipe, E.; Alwyn, K. E.; Bailey, D.; Barlow, R. J.; Jackson, G.; Lafferty, G. D.; Cenci, R.; Hamilton, B.; Jawahery, A.; Roberts, D. A.; Simi, G.; Dallapiccola, C.; Cowan, R.; Dujmic, D.; Sciolla, G.; Lindemann, D.; Patel, P. M.; Robertson, S. H.; Schram, M.; Biassoni, P.; Lazzaro, A.; Lombardo, V.; Neri, N.; Palombo, F.; Stracka, S.; Cremaldi, L.; Godang, R.; Kroeger, R.; Sonnek, P.; Summers, D. J.; Nguyen, X.; Taras, P.; De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.; Raven, G.; Snoek, H. L.; Jessop, C. P.; Knoepfel, K. J.; LoSecco, J. M.; Wang, W. F.; Honscheid, K.; Kass, R.; Brau, J.; Frey, R.; Sinev, N. B.; Strom, D.; Torrence, E.; Feltresi, E.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Ben-Haim, E.; Bomben, M.; Bonneaud, G. R.; Briand, H.; Calderini, G.; Chauveau, J.; Hamon, O.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Sitt, S.; Biasini, M.; Manoni, E.; Pacetti, S.; Rossi, A.; Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Oberhof, B.; Paoloni, E.; Perez, A.; Rizzo, G.; Walsh, J. J.; Lopes Pegna, D.; Lu, C.; Olsen, J.; Smith, A. J. S.; Telnov, A. V.; Anulli, F.; Cavoto, G.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Li Gioi, L.; Mazzoni, M. A.; Piredda, G.; Bünger, C.; Grünberg, O.; Hartmann, T.; Leddig, T.; Schröder, H.; Waldi, R.; Adye, T.; Olaiya, E. O.; Wilson, F. F.; Emery, S.; Hamel de Monchenault, G.; Vasseur, G.; Yèche, Ch.; Aston, D.; Bard, D. J.; Bartoldus, R.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Franco Sevilla, M.; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.; Kelsey, M. H.; Kim, H.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Lewis, P.; Li, S.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Nelson, S.; Ofte, I.; Perl, M.; Pulliam, T.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Snyder, A.; Su, D.; Sullivan, M. K.; Va'vra, J.; Wagner, A. P.; Weaver, M.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Yarritu, A. K.; Young, C. C.; Ziegler, V.; Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.; Randle-Conde, A.; Sekula, S. J.; Bellis, M.; Benitez, J. F.; Burchat, P. R.; Miyashita, T. S.; Alam, M. S.; Ernst, J. A.; Gorodeisky, R.; Guttman, N.; Peimer, D. R.; Soffer, A.; Lund, P.; Spanier, S. M.; Eckmann, R.; Ritchie, J. L.; Ruland, A. M.; Schilling, C. J.; Schwitters, R. F.; Wray, B. C.; Izen, J. M.; Lou, X. C.; Bianchi, F.; Gamba, D.; Lanceri, L.; Vitale, L.; Azzolini, V.; Martinez-Vidal, F.; Oyanguren, A.; Ahmed, H.; Albert, J.; Banerjee, Sw.; Choi, H. H. F.; King, G. J.; Kowalewski, R.; Lewczuk, M. J.; Lindsay, C.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.; Tasneem, N.; Gershon, T. J.; Harrison, P. F.; Latham, T. E.; Puccio, E. M. T.; Band, H. R.; Dasu, S.; Pan, Y.; Prepost, R.; Wu, S. L.

2012-08-01

We report measurements of partial branching fractions for inclusive charmless semileptonic B decays B¯→Xuℓν¯ and the determination of the Cabibbo-Kobayashi-Maskawa (CKM) matrix element |Vub|. The analysis is based on a sample of 467×106 Υ(4S)→BB¯ decays recorded with the BABAR detector at the PEP-II e+e- storage rings. We select events in which the decay of one of the B mesons is fully reconstructed and an electron or a muon signals the semileptonic decay of the other B meson. We measure partial branching fractions ΔB in several restricted regions of phase space and determine the CKM element |Vub| based on different QCD predictions. For decays with a charged lepton momentum pℓ*>1.0GeV in the B meson rest frame, we obtain ΔB=(1.80±0.13stat±0.15sys±0.02theo)×10-3 from a fit to the two-dimensional MX-q2 distribution. Here, MX refers to the invariant mass of the final state hadron X and q2 is the invariant mass squared of the charged lepton and neutrino. From this measurement we extract |Vub|=(4.33±0.24exp⁡±0.15theo)×10-3 as the arithmetic average of four results obtained from four different QCD predictions of the partial rate. We separately determine partial branching fractions for B¯0 and B- decays and derive a limit on the isospin breaking in B¯→Xuℓν¯ decays.

ON THE INTERACTION OF ADENINE WITH IONIZING RADIATION: MECHANISTICAL STUDIES AND ASTROBIOLOGICAL IMPLICATIONS

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

Evans, Nicholas L.; Ullrich, Susanne; Bennett, Chris J.

2011-04-01

The molecular inventory available on the prebiotic Earth was likely derived from both terrestrial and extraterrestrial sources. A complete description of which extraterrestrial molecules may have seeded early Earth is therefore necessary to fully understand the prebiotic evolution which led to life. Galactic cosmic rays (GCRs) are expected to cause both the formation and destruction of important biomolecules-including nucleic acid bases such as adenine-in the interstellar medium within the ices condensed on interstellar grains. The interstellar ultraviolet (UV) component is expected to photochemically degrade gas-phase adenine on a short timescale of only several years. However, the destruction rate is expectedmore » to be significantly reduced when adenine is shielded in dense molecular clouds or even within the ices of interstellar grains. Here, biomolecule destruction by the energetic charged particle component of the GCR becomes important as it is not fully attenuated. Presented here are results on the destruction rate of the nucleobase adenine in the solid state at 10 K by energetic electrons, as generated in the track of cosmic ray particles as they penetrate ices. When both UV and energetic charged particle destructive processes are taken into account, the half-life of adenine within dense interstellar clouds is found to be {approx}6 Myr, which is on the order of a star-forming molecular cloud. We also discuss chemical reaction pathways within the ices to explain the production of observed species, including the formation of nitriles (R-C{identical_to}N), epoxides (C-O-C), and carbonyl functions (R-C=O).« less

Spatially resolved surface valence gradient and structural transformation of lithium transition metal oxides in lithium-ion batteries.

PubMed

Liu, Hanshuo; Bugnet, Matthieu; Tessaro, Matteo Z; Harris, Kristopher J; Dunham, Mark J R; Jiang, Meng; Goward, Gillian R; Botton, Gianluigi A

2016-10-26

Layered lithium transition metal oxides are one of the most important types of cathode materials in lithium-ion batteries (LIBs) that possess high capacity and relatively low cost. Nevertheless, these layered cathode materials suffer structural changes during electrochemical cycling that could adversely affect the battery performance. Clear explanations of the cathode degradation process and its initiation, however, are still under debate and not yet fully understood. We herein systematically investigate the chemical evolution and structural transformation of the LiNi x Mn y Co 1-x-y O 2 (NMC) cathode material in order to understand the battery performance deterioration driven by the cathode degradation upon cycling. Using high-resolution electron energy loss spectroscopy (HR-EELS) we clarify the role of transition metals in the charge compensation mechanism, particularly the controversial Ni 2+ (active) and Co 3+ (stable) ions, at different states-of-charge (SOC) under 4.6 V operation voltage. The cathode evolution is studied in detail from the first-charge to long-term cycling using complementary diagnostic tools. With the bulk sensitive 7 Li nuclear magnetic resonance (NMR) measurements, we show that the local ordering of transition metal and Li layers (R3[combining macron]m structure) is well retained in the bulk material upon cycling. In complement to the bulk measurements, we locally probe the valence state distribution of cations and the surface structure of NMC particles using EELS and scanning transmission electron microscopy (STEM). The results reveal that the surface evolution of NMC is initiated in the first-charging step with a surface reduction layer formed at the particle surface. The NMC surface undergoes phase transformation from the layered structure to a poor electronic and ionic conducting transition-metal oxide rock-salt phase (R3[combining macron]m → Fm3[combining macron]m), accompanied by irreversible lithium and oxygen loss. In addition to the electrochemical cycling effect, electrolyte exposure also shows non-negligible influence on cathode surface degradation. These chemical and structural changes of the NMC cathode could contribute to the first-cycle coulombic inefficiency, restrict the charge transfer characteristics and ultimately impact the cell capacity.

Probing lithium-ion batteries' state-of-charge using ultrasonic transmission - Concept and laboratory testing

NASA Astrophysics Data System (ADS)

Gold, Lukas; Bach, Tobias; Virsik, Wolfgang; Schmitt, Angelika; Müller, Jana; Staab, Torsten E. M.; Sextl, Gerhard

2017-03-01

For electrically powered applications such as consumer electronics and especially for electric vehicles a precise state-of-charge estimation for their lithium-ion batteries is desired to reduce aging, e.g. avoiding detrimental states-of-charge. Today, this estimation is performed by battery management systems that solely rely on charge bookkeeping and cell voltage measurements. In the present work we introduce a new, physical probe for the state-of-charge based on ultrasonic transmission. Within the simple experimental setup raised cosine pulses are applied to lithium-ion battery pouch cells, whose signals are sensitive to changes in porosity of the graphite anode during charging/dis-charging and, therefore, to the state-of-charge. The underlying physical principle can be related to Biot's theory about propagation of waves in fluid saturated porous media and by including scattering by boundary layers inside the cell.

A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation

NASA Astrophysics Data System (ADS)

Yang, Chou-Hsun; Hsu, Chao-Ping

2013-10-01

The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

Band bending at ferroelectric surfaces and interfaces investigated by x-ray photoelectron spectroscopy

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

Apostol, Nicoleta Georgiana, E-mail: nicoleta.apostol@infim.ro

2014-11-24

This work reports on the use of X-ray photoelectron spectroscopy to quantify band bending at ferroelectric free surfaces and at their interfaces with metals. Surfaces exhibiting out-of-plane ferroelectric polarization are characterized by a band bending, due to the formation of a dipole layer at the surface, composed by the uncompensated polarization charges (due to ionic displacement) and to the depolarization charge sheet of opposite sign, composed by mobile charge carriers, which migrate near surface, owing to the depolarization electric field. To this surface band bending due to out-of-plane polarization states, metal-semiconductor Schottky barriers must be considered additionally when ferroelectrics aremore » covered by metal layers. It is found that the net band bending is not always an algebraic sum of the two effects discussed above, since sometimes the metal is able to provide additional charge carriers, which are able to fully compensate the surface charge of the ferroelectric, up to the vanishing of the ferroelectric band bending. The two cases which will be discussed in more detail are Au and Cu deposited by molecular beam epitaxy on PbZr{sub 0.2}Ti{sub 0.8}O{sub 3}(001) single crystal thin layers, prepared by pulsed laser deposition. Gold forms unconnected nanoparticles, and their effect on the band bending is the apparition of a Schottky band bending additional to the band bending due to the out-of-plane polarization. Copper, starting with a given thickness, forms continuous metal layers connected to the ground of the system, and provide electrons in sufficient quantity to compensate the band bending due to the out-of-plane polarization.« less

Fully integrated low-noise readout circuit with automatic offset cancellation loop for capacitive microsensors.

PubMed

Song, Haryong; Park, Yunjong; Kim, Hyungseup; Cho, Dong-Il Dan; Ko, Hyoungho

2015-10-14

Capacitive sensing schemes are widely used for various microsensors; however, such microsensors suffer from severe parasitic capacitance problems. This paper presents a fully integrated low-noise readout circuit with automatic offset cancellation loop (AOCL) for capacitive microsensors. The output offsets of the capacitive sensing chain due to the parasitic capacitances and process variations are automatically removed using AOCL. The AOCL generates electrically equivalent offset capacitance and enables charge-domain fine calibration using a 10-bit R-2R digital-to-analog converter, charge-transfer switches, and a charge-storing capacitor. The AOCL cancels the unwanted offset by binary-search algorithm based on 10-bit successive approximation register (SAR) logic. The chip is implemented using 0.18 μm complementary metal-oxide-semiconductor (CMOS) process with an active area of 1.76 mm². The power consumption is 220 μW with 3.3 V supply. The input parasitic capacitances within the range of -250 fF to 250 fF can be cancelled out automatically, and the required calibration time is lower than 10 ms.

Fully Integrated Low-Noise Readout Circuit with Automatic Offset Cancellation Loop for Capacitive Microsensors

PubMed Central

Song, Haryong; Park, Yunjong; Kim, Hyungseup; Cho, Dong-il Dan; Ko, Hyoungho

2015-01-01

Capacitive sensing schemes are widely used for various microsensors; however, such microsensors suffer from severe parasitic capacitance problems. This paper presents a fully integrated low-noise readout circuit with automatic offset cancellation loop (AOCL) for capacitive microsensors. The output offsets of the capacitive sensing chain due to the parasitic capacitances and process variations are automatically removed using AOCL. The AOCL generates electrically equivalent offset capacitance and enables charge-domain fine calibration using a 10-bit R-2R digital-to-analog converter, charge-transfer switches, and a charge-storing capacitor. The AOCL cancels the unwanted offset by binary-search algorithm based on 10-bit successive approximation register (SAR) logic. The chip is implemented using 0.18 μm complementary metal-oxide-semiconductor (CMOS) process with an active area of 1.76 mm2. The power consumption is 220 μW with 3.3 V supply. The input parasitic capacitances within the range of −250 fF to 250 fF can be cancelled out automatically, and the required calibration time is lower than 10 ms. PMID:26473877

Low charge state heavy ion production with sub-nanosecond laser.

PubMed

Kanesue, T; Kumaki, M; Ikeda, S; Okamura, M

2016-02-01

We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the difference of generated plasma using the Zirconium target.

Iron Charge Distribution as an Identifier of Interplanetary Coronal Mass Ejections

NASA Technical Reports Server (NTRS)

Lepri, S. T.; Zurbuchen, T. H.; Fisk, L. A.; Richardson, I. G.; Cane, H. V.; Gloeckler, G.

2001-01-01

We present solar wind Fe charge state data measured on the Advanced Composition Explorer (ACE) from early 1998 to the middle of 2000. Average Fe charge states in the solar wind are typically around 9 to 11. However, deviations from these average charge states occur, including intervals with a large fraction of Fe(sup greater or = 16+) which are consistently associated with interplanetary coronal mass ejections (ICMEs). By studying the Fe charge state distribution we are able to extract coronal electron temperatures often exceeding 2 x 10(exp 6) kelvins. We also discuss the temporal trends of these events, indicating the more frequent appearance of periods with high Fe charge states as solar activity increases.

Low charge state heavy ion production with sub-nanosecond laser

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

Kanesue, T., E-mail: tkanesue@bnl.gov; Okamura, M.; Kumaki, M.

2016-02-15

We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the differencemore » of generated plasma using the Zirconium target.« less

Harnessing Reversible Electronic Energy Transfer: From Molecular Dyads to Molecular Machines.

PubMed

Denisov, Sergey A; Yu, Shinlin; Pozzo, Jean-Luc; Jonusauskas, Gediminas; McClenaghan, Nathan D

2016-06-17

Reversible electronic energy transfer (REET) may be instilled in bi-/multichromophoric molecule-based systems, following photoexcitation, upon judicious structural integration of matched chromophores. This leads to a new set of photophysical properties for the ensemble, which can be fully characterized by steady-state and time-resolved spectroscopic methods. Herein, we take a comprehensive look at progress in the development of this type of supermolecule in the last five years, which has seen systems evolve from covalently tethered dyads to synthetic molecular machines, exemplified by two different pseudorotaxanes. Indeed, REET holds promise in the control of movement in molecular machines, their assembly/disassembly, as well as in charge separation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dispersion relations for η '→ η π π

NASA Astrophysics Data System (ADS)

Isken, Tobias; Kubis, Bastian; Schneider, Sebastian P.; Stoffer, Peter

2017-07-01

We present a dispersive analysis of the decay amplitude for η '→ η π π that is based on the fundamental principles of analyticity and unitarity. In this framework, final-state interactions are fully taken into account. Our dispersive representation relies only on input for the {π π } and {π }η scattering phase shifts. Isospin symmetry allows us to describe both the charged and neutral decay channel in terms of the same function. The dispersion relation contains subtraction constants that cannot be fixed by unitarity. We determine these parameters by a fit to Dalitz-plot data from the VES and BES-III experiments. We study the prediction of a low-energy theorem and compare the dispersive fit to variants of chiral perturbation theory.

The 3 + 1 decomposition of conformal Yano-Killing tensors and ‘momentary’ charges for the spin-2 field

NASA Astrophysics Data System (ADS)

Jezierski, Jacek; Migacz, Szymon

2015-02-01

The ‘fully charged’ spin-2 field solution is presented. This is an analog of the Coulomb solution in electrodynamics and represents the ‘non-waving’ part of the spin-2 field theory. Basic facts and definitions of the spin-2 field and conformal Yano-Killing tensors are introduced. Application of those two objects provides a precise definition of quasi-local gravitational charge. Next, the 3 + 1 decomposition leads to the construction of the momentary gravitational charges on the initial surface, which is applicable for Schwarzschild-like spacetimes.

Neutron imaging integrated circuit and method for detecting neutrons

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

Nagarkar, Vivek V.; More, Mitali J.

The present disclosure provides a neutron imaging detector and a method for detecting neutrons. In one example, a method includes providing a neutron imaging detector including plurality of memory cells and a conversion layer on the memory cells, setting one or more of the memory cells to a first charge state, positioning the neutron imaging detector in a neutron environment for a predetermined time period, and reading a state change at one of the memory cells, and measuring a charge state change at one of the plurality of memory cells from the first charge state to a second charge statemore » less than the first charge state, where the charge state change indicates detection of neutrons at said one of the memory cells.« less

Majorana bound states from exceptional points in non-topological superconductors

PubMed Central

San-Jose, Pablo; Cayao, Jorge; Prada, Elsa; Aguado, Ramón

2016-01-01

Recent experimental efforts towards the detection of Majorana bound states have focused on creating the conditions for topological superconductivity. Here we demonstrate an alternative route, which achieves fully localised zero-energy Majorana bound states when a topologically trivial superconductor is strongly coupled to a helical normal region. Such a junction can be experimentally realised by e.g. proximitizing a finite section of a nanowire with spin-orbit coupling, and combining electrostatic depletion and a Zeeman field to drive the non-proximitized (normal) portion into a helical phase. Majorana zero modes emerge in such an open system without fine-tuning as a result of charge-conjugation symmetry, and can be ultimately linked to the existence of ‘exceptional points’ (EPs) in parameter space, where two quasibound Andreev levels bifurcate into two quasibound Majorana zero modes. After the EP, one of the latter becomes non-decaying as the junction approaches perfect Andreev reflection, thus resulting in a Majorana dark state (MDS) localised at the NS junction. We show that MDSs exhibit the full range of properties associated to conventional closed-system Majorana bound states (zero-energy, self-conjugation, 4π-Josephson effect and non-Abelian braiding statistics), while not requiring topological superconductivity. PMID:26865011

Tunnelling spectroscopy of gate-induced superconductivity in MoS2

NASA Astrophysics Data System (ADS)

Costanzo, Davide; Zhang, Haijing; Reddy, Bojja Aditya; Berger, Helmuth; Morpurgo, Alberto F.

2018-06-01

The ability to gate-induce superconductivity by electrostatic charge accumulation is a recent breakthrough in physics and nanoelectronics. With the exception of LaAlO3/SrTiO3 interfaces, experiments on gate-induced superconductors have been largely confined to resistance measurements, which provide very limited information about the superconducting state. Here, we explore gate-induced superconductivity in MoS2 by performing tunnelling spectroscopy to determine the energy-dependent density of states (DOS) for different levels of electron density n. In the superconducting state, the DOS is strongly suppressed at energy smaller than the gap Δ, which is maximum (Δ 2 meV) for n of 1 × 1014 cm-2 and decreases monotonously for larger n. A perpendicular magnetic field B generates states at E < Δ that fill the gap, but a 20% DOS suppression of superconducting origin unexpectedly persists much above the transport critical field. Conversely, an in-plane field up to 10 T leaves the DOS entirely unchanged. Our measurements exclude that the superconducting state in MoS2 is fully gapped and reveal the presence of a DOS that vanishes linearly with energy, the explanation of which requires going beyond a conventional, purely phonon-driven Bardeen-Cooper-Schrieffer mechanism.

Ab initio investigation of electron capture by Cl{sup 7+} ions from H

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

Zhao, L. B.; Stancil, P. C.; Watanabe, A.

2007-08-15

An investigation of charge transfer in collisions of ground-state Cl{sup 7+} with H has been conducted based on a fully quantum-mechanical molecular-orbital close-coupling (QMOCC) approach. The charge-transfer process Cl{sup 7+}({sup 1}S)+H{yields}Cl{sup 6+}(2p{sup 6}nl {sup 2}S,{sup 2}P{sup o},{sup 2}D,{sup 2}F{sup o},{sup 2}G)+H{sup +} with n=5 and 6 is taken into account for collision energies between 10{sup -4} eV/u and 1 keV/u. The relevant adiabatic potentials and nonadiabatic coupling matrix elements for the ClH{sup 7+} system are evaluated with the configuration-interaction method. The investigation shows that electron capture into the 5d, 5f, 5g, and 6p states dominates for collision energies less thanmore » {approx}1 eV/u, while above 100 eV/u the 5s, 5p, 5d, and 6p are the primary capture channels. Comparison with experimental data for collisions of Cl{sup 7+}({sup 1}S) with D reveals a discrepancy over the full range of measured energies (5-430 eV/u), while no significant isotope effect is found for QMOCC calculations with deuterium. Furthermore, comparison with a previous calculation of the one-electron N{sup 7+}+H system, as well as measurements of the multielectron Al{sup 7+}+H and Fe{sup 7+}+H systems, suggests that the electronic structure of the core has a non-negligible effect on the charge-transfer process. A one-electron model for relative l distributions is found to agree with the QMOCC results for n=5 between 100 and 1000 eV/u, but fails at lower collision energies. Finally, state-selective and total rate coefficients are given for temperatures between 10 and 200 000 K.« less

48 CFR 31.109 - Advance agreements.

Code of Federal Regulations, 2013 CFR

2013-10-01

... benefit pension plans; (2) Use charges for fully depreciated assets; (3) Deferred maintenance costs; (4... contracts (see 31.203(h)); (14) Costs of construction plant and equipment (see 31.105(d)). (15) Costs of...

Electron Mobility and Trapping in Ferrihydrite Nanoparticles

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

Soltis, Jennifer A.; Schwartzberg, Adam M.; Zarzycki, Piotr

Iron is the most abundant transition metal in the Earth's crust, and naturally occurring iron oxide minerals play a commanding role in environmental redox reactions. Although iron oxide redox reactions are well studied, their precise mechanisms are not fully understood. Recent work has shown that these involve electron transfer pathways within the solid, suggesting that overall reaction rates could be dependent on electron mobility. Initial ultrafast spectroscopy studies of iron oxide nanoparticles sensitized by fluorescein derivatives supported a model for electron mobility based on polaronic hopping of electron charge carriers between iron sites, but the constitutive relationships between hopping mobilitiesmore » and interfacial charge transfer processes has remained obscured. We developed a coarse-grained lattice Monte Carlo model to simulate the collective mobilities and lifetimes of these photoinjected electrons with respect to recombination with adsorbed dye molecules for the essential nanophase ferrihydrite, and tested predictions made by the simulations using pump-probe spectroscopy. We acquired optical transient absorption spectra as a function of particle size and under a variety of solution conditions, and used cryogenic transmission electron microscopy to determine the aggregation state of the nanoparticles. We observed biphasic electron recombination kinetics over timescales that spanned picoseconds to microseconds, the slower regime of which was fit with a stretched exponential decay function. The recombination rates were weakly affected by nanoparticle size and aggregation state, suspension pH, and the injection of multiple electrons per nanoparticle. We conclude that electron mobility indeed limits the rate of interfacial electron transfer in these systems with the slowest processes relating to escape from deep traps, the presence of which outweighs the influence of environmental factors such as pH-dependent surface charge.« less

Electron Mobility and Trapping in Ferrihydrite Nanoparticles

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

Soltis, Jennifer A.; Schwartzberg, Adam M.; Zarzycki, Piotr

Iron is the most abundant transition metal in the Earth’s crust, and naturally occurring iron oxide minerals play a commanding role in environmental redox reactions. Although iron oxide redox reactions are well-studied, their precise mechanisms are not fully understood. Recent work has shown that these involve electron transfer pathways within the solid, suggesting that overall reaction rates could be dependent upon electron mobility. Initial ultrafast spectroscopy studies of iron oxide nanoparticles sensitized by fluorescein derivatives supported a model for electron mobility based on polaronic hopping of electron charge carriers between iron sites, but the constitutive relationships between hopping mobilities andmore » interfacial charge transfer processes has remained obscured. In this paper, we developed a coarse-grained lattice Monte Carlo model to simulate the collective mobilities and lifetimes of these photoinjected electrons with respect to recombination with adsorbed dye molecules for essential nanophase ferrihydrite and tested predictions made by the simulations using pump–probe spectroscopy. We acquired optical transient absorption spectra as a function of the particle size and under a variety of solution conditions and used cryogenic transmission electron microscopy to determine the aggregation state of the nanoparticles. We observed biphasic electron recombination kinetics over time scales that spanned from picoseconds to microseconds, the slower regime of which was fit with a stretched exponential decay function. The recombination rates were weakly affected by the nanoparticle size and aggregation state, suspension pH, and injection of multiple electrons per nanoparticle. Finally, we conclude that electron mobility indeed limits the rate of interfacial electron transfer in these systems, with the slowest processes relating to escape from deep traps, the presence of which outweighs the influence of environmental factors, such as pH-dependent surface charge.« less

Electron Mobility and Trapping in Ferrihydrite Nanoparticles

DOE PAGES

Soltis, Jennifer A.; Schwartzberg, Adam M.; Zarzycki, Piotr; ...

2017-05-18

Iron is the most abundant transition metal in the Earth’s crust, and naturally occurring iron oxide minerals play a commanding role in environmental redox reactions. Although iron oxide redox reactions are well-studied, their precise mechanisms are not fully understood. Recent work has shown that these involve electron transfer pathways within the solid, suggesting that overall reaction rates could be dependent upon electron mobility. Initial ultrafast spectroscopy studies of iron oxide nanoparticles sensitized by fluorescein derivatives supported a model for electron mobility based on polaronic hopping of electron charge carriers between iron sites, but the constitutive relationships between hopping mobilities andmore » interfacial charge transfer processes has remained obscured. In this paper, we developed a coarse-grained lattice Monte Carlo model to simulate the collective mobilities and lifetimes of these photoinjected electrons with respect to recombination with adsorbed dye molecules for essential nanophase ferrihydrite and tested predictions made by the simulations using pump–probe spectroscopy. We acquired optical transient absorption spectra as a function of the particle size and under a variety of solution conditions and used cryogenic transmission electron microscopy to determine the aggregation state of the nanoparticles. We observed biphasic electron recombination kinetics over time scales that spanned from picoseconds to microseconds, the slower regime of which was fit with a stretched exponential decay function. The recombination rates were weakly affected by the nanoparticle size and aggregation state, suspension pH, and injection of multiple electrons per nanoparticle. Finally, we conclude that electron mobility indeed limits the rate of interfacial electron transfer in these systems, with the slowest processes relating to escape from deep traps, the presence of which outweighs the influence of environmental factors, such as pH-dependent surface charge.« less

Secondary Structures of Ubiquitin Ions Soft-Landed onto Self-Assembled Monolayer Surfaces

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

Hu, Qichi; Laskin, Julia

2016-06-09

The secondary structures of multiply charged ubiquitin ions soft-landed onto self-assembled monolayer (SAM) surfaces were studied using in situ infrared reflection-absorption spectroscopy (IRRAS). Two charge states of ubiquitin, 5+ and 13+, were mass selected separately from a mixture of different charge states produced by electrospray ionization (ESI). The low 5+ charge state represents a native-like folded state of ubiquitin, while the high 13+ charge state assumes an extended, almost linear conformation. Each of the two charge states was soft-landed onto a CH 3- and COOH-terminated SAM of alkylthiols on gold (HSAM and COOH-SAM). HSAM is a hydrophobic surface known tomore » stabilize helical conformations of soft-landed protonated peptides, whereas COOH-SAM is a hydrophilic surface that preferentially stabilizes β-sheet conformations. IRRAS spectra of the soft-landed ubiquitin ions were acquired as a function of time during and after ion soft-landing. Similar to smaller peptide ions, helical conformations of ubiquitin are found to be more abundant on HSAM, while the relative abundance of β-sheet conformations increases on COOH-SAM. The initial charge state of ubiquitin also has a pronounced effect on its conformation on the surface. Specifically, on both surfaces, a higher relative abundance of helical conformations and lower relative abundance of β-sheet conformations is observed for the 13+ charge state compared to the 5+ charge state. Time-resolved experiments indicate that the α-helical band in the spectrum of the 13+ charge state slowly increases with time on the HSAM surface and decreases in the spectrum of the 13+ charge state on COOH-SAM. These results further support the preference of the hydrophobic HSAM surface toward helical conformations and demonstrate that soft-landed protein ions may undergo slow conformational changes during and after deposition.« less

Development of an Implicit, Charge and Energy Conserving 2D Electromagnetic PIC Code on Advanced Architectures

NASA Astrophysics Data System (ADS)

Payne, Joshua; Taitano, William; Knoll, Dana; Liebs, Chris; Murthy, Karthik; Feltman, Nicolas; Wang, Yijie; McCarthy, Colleen; Cieren, Emanuel

2012-10-01

In order to solve problems such as the ion coalescence and slow MHD shocks fully kinetically we developed a fully implicit 2D energy and charge conserving electromagnetic PIC code, PlasmaApp2D. PlasmaApp2D differs from previous implicit PIC implementations in that it will utilize advanced architectures such as GPUs and shared memory CPU systems, with problems too large to fit into cache. PlasmaApp2D will be a hybrid CPU-GPU code developed primarily to run on the DARWIN cluster at LANL utilizing four 12-core AMD Opteron CPUs and two NVIDIA Tesla GPUs per node. MPI will be used for cross-node communication, OpenMP will be used for on-node parallelism, and CUDA will be used for the GPUs. Development progress and initial results will be presented.

Extracting Effective Higgs Couplings in the Golden Channel

DOE PAGES

Chen, Yi; Vega-Morales, Roberto

2014-04-08

Kinematic distributions in Higgs decays to four charged leptons, the so called ‘golden channel, are a powerful probe of the tensor structure of its couplings to neutral electroweak gauge bosons. In this study we construct the first part of a comprehensive analysis framework designed to maximize the information contained in this channel in order to perform direct extraction of the various possible Higgs couplings. We first complete an earlier analytic calculation of the leading order fully differential cross sections for the golden channel signal and background to include the 4e and 4μ final states with interference between identical final states.more » We also examine the relative fractions of the different possible combinations of scalar-tensor couplings by integrating the fully differential cross section over all kinematic variables as well as show various doubly differential spectra for both the signal and background. From these analytic expressions we then construct a ‘generator level’ analysis framework based on the maximum likelihood method. Then, we demonstrate the ability of our framework to perform multi-parameter extractions of all the possible effective couplings of a spin-0 scalar to pairs of neutral electroweak gauge bosons including any correlations. Furthermore, this framework provides a powerful method for study of these couplings and can be readily adapted to include the relevant detector and systematic effects which we demonstrate in an accompanying study to follow.« less

Insights into the Effects of Zinc Doping on Structural Phase Transition of P2-Type Sodium Nickel Manganese Oxide Cathodes for High-Energy Sodium Ion Batteries.

PubMed

Wu, Xuehang; Xu, Gui-Liang; Zhong, Guiming; Gong, Zhengliang; McDonald, Matthew J; Zheng, Shiyao; Fu, Riqiang; Chen, Zonghai; Amine, Khalil; Yang, Yong

2016-08-31

P2-type sodium nickel manganese oxide-based cathode materials with higher energy densities are prime candidates for applications in rechargeable sodium ion batteries. A systematic study combining in situ high energy X-ray diffraction (HEXRD), ex situ X-ray absorption fine spectroscopy (XAFS), transmission electron microscopy (TEM), and solid-state nuclear magnetic resonance (SS-NMR) techniques was carried out to gain a deep insight into the structural evolution of P2-Na0.66Ni0.33-xZnxMn0.67O2 (x = 0, 0.07) during cycling. In situ HEXRD and ex situ TEM measurements indicate that an irreversible phase transition occurs upon sodium insertion-extraction of Na0.66Ni0.33Mn0.67O2. Zinc doping of this system results in a high structural reversibility. XAFS measurements indicate that both materials are almost completely dependent on the Ni(4+)/Ni(3+)/Ni(2+) redox couple to provide charge/discharge capacity. SS-NMR measurements indicate that both reversible and irreversible migration of transition metal ions into the sodium layer occurs in the material at the fully charged state. The irreversible migration of transition metal ions triggers a structural distortion, leading to the observed capacity and voltage fading. Our results allow a new understanding of the importance of improving the stability of transition metal layers.

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.

Charging and breakdown in amorphous dielectrics: Phenomenological modeling approach and applications

NASA Astrophysics Data System (ADS)

Palit, Sambit

Amorphous dielectrics of different thicknesses (nm to mm) are used in various applications. Low temperature processing/deposition of amorphous thin-film dielectrics often result in defect-states or electronic traps. These traps are responsible for increased leakage currents and bulk charge trapping in many associated applications. Additional defects may be generated during regular usage, leading to electrical breakdown. Increased leakage currents, charge trapping and defect generation/breakdown are important and pervasive reliability concerns in amorphous dielectrics. We first explore the issue of charge accumulation and leakage in amorphous dielectrics. Historically, charge transport in amorphous dielectrics has been presumed, depending on the dielectric thickness, to be either bulk dominated (Frenkel-Poole (FP) emission) or contact dominated (Fowler-Nordheim tunneling). We develop a comprehensive dielectric charging modeling framework which solves for the transient and steady state charge accumulation and leakage currents in an amorphous dielectric, and show that for intermediate thickness dielectrics, the conventional assumption of FP dominated current transport is incorrect, and may lead to false extraction of dielectric parameters. We propose an improved dielectric characterization methodology based on an analytical approximation of our model. Coupled with ab-initio computed defect levels, the dielectric charging model explains measured leakage currents more accurately with lesser empiricism. We study RF-MEMS capacitive switches as one of the target applications of intermediate thickness amorphous dielectrics. To achieve faster analysis and design of RF-MEMS switches in particular, and electro-mechanical actuators in general, we propose a set of fundamental scaling relationships which are independent of specific physical dimensions and material properties; the scaling relationships provide an intrinsic classification of all electro-mechanical actuators. However, RF-MEMS capacitive switches are plagued by the reliability issue of temporal shifts of actuation voltages due to dielectric charge accumulation, often resulting in failure due to membrane stiction. Using the dielectric charging model, we show that in spite of unpredictable roughness of deposited dielectrics, there are predictable shifts in actuation voltages due to dielectric charging in RF-MEMS switches. We also propose a novel non-obtrusive, non-contact, fully electronic resonance based technique to characterize charging driven actuation shifts in RF-MEMS switches which overcomes limitations in conventionally used methods. Finally, we look into the issue of defect generation and breakdown in thick polymer dielectrics. Polymer materials often face premature electrical breakdown due to high electric fields and frequencies, and exposure to ambient humidity conditions. Using a field-driven correlated defect generation model, coupled with a model for temperature rise due to dielectric heating at AC stresses, we explain measured trends in time-to-breakdown and breakdown electric fields in polymer materials. Using dielectric heating we are able to explain the observed lifetime and dielectric strength reduction with increasing dielectric thicknesses. Performing lifetime measurements after exposure to controlled humidity conditions, we find that moisture ingress into a polymer material reduces activation barriers for chain breakage and increases dielectric heating. Overall, this thesis develops a comprehensive framework of dielectric charging, leakage and degradation of insulators of different thicknesses that have broad applications in multiple technologies.

Charge state distributions of oxygen and carbon in the energy range 1 to 300 keV/e observed with AMPTE/CCE in the magnetosphere

NASA Technical Reports Server (NTRS)

Kremser, G.; Stuedemann, W.; Wilken, B.; Gloeckler, G.; Hamilton, D. C.

1985-01-01

Observations of charge state distributions of oxygen and carbon are presented that were obtained with the charge-energy-mass spectrometer onboard the AMPTE/CCE spacecraft. Data were selected for two different local time sectors (apogee at 1300 LT and 0300 LT, respectively), three L-ranges (4-6, 6-8, and greater than 8), and quiet to moderately disturbed days (Kp less than or equal to 4). The charge state distributions reveal the existence of all charge states of oxygen and carbon in the magnetosphere. The relative importance of the different charge states strongly depends on L and much less on local time. The observations confirm that the solar wind and the ionosphere contribute to the oxygen population, whereas carbon only originates from the solar wind. The L-dependence of the charge state distributions can be interpreted in terms of these different ion sources and of charge exchange and diffusion processes that largely influence the distribution of oxygen and carbon in the magnetosphere.

Determination of the state-of-charge in leadacid batteries by means of a reference cell

NASA Astrophysics Data System (ADS)

Armenta, C.

A knowledge of the state-of-charge of any battery is an essential requirement for system energy management and for battery life extension. In photovoltaic power plants and stand-alone photovoltaic installations, a knowledge of the state-of-charge helps one to predict remaining energy, to determine time remaining before battery turndown, and to avoid failures during operation. A reliable method of predicting the state-of-charge will allow reduced installation costs because less reserve capacity is needed to guarantee a reliable energy supply. We propose an on-line method based on simple electrical measurements combined with a new electrolyte agitation technique which avoids systematic control of the battery state-of-charge. The method is very accurate and reduces the standard error in the state-of-charge prediction.

Influence of argon and oxygen on charge-state-resolved ion energy distributions of filtered aluminum arcs

NASA Astrophysics Data System (ADS)

Rosén, Johanna; Anders, André; Mráz, Stanislav; Atiser, Adil; Schneider, Jochen M.

2006-06-01

The charge-state-resolved ion energy distributions (IEDs) in filtered aluminum vacuum arc plasmas were measured and analyzed at different oxygen and argon pressures in the range of 0.5-8.0 mTorr. A significant reduction of the ion energy was detected as the pressure was increased, most pronounced in an argon environment and for the higher charge states. The corresponding average charge state decreased from 1.87 to 1.0 with increasing pressure. The IEDs of all metal ions in oxygen were fitted with shifted Maxwellian distributions. The results show that it is possible to obtain a plasma composition with a narrow charge-state distribution as well as a narrow IED. These data may enable tailoring thin film properties through selecting growth conditions that are characterized by predefined charge state and energy distributions.

Quantum dynamics of charge state in silicon field evaporation

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

Silaeva, Elena P.; Uchida, Kazuki; Watanabe, Kazuyuki, E-mail: kazuyuki@rs.kagu.tus.ac.jp

2016-08-15

The charge state of an ion field-evaporating from a silicon-atom cluster is analyzed using time-dependent density functional theory coupled to molecular dynamics. The final charge state of the ion is shown to increase gradually with increasing external electrostatic field in agreement with the average charge state of silicon ions detected experimentally. When field evaporation is triggered by laser-induced electronic excitations the charge state also increases with increasing intensity of the laser pulse. At the evaporation threshold, the charge state of the evaporating ion does not depend on the electrostatic field due to the strong contribution of laser excitations to themore » ionization process both at low and high laser energies. A neutral silicon atom escaping the cluster due to its high initial kinetic energy is shown to be eventually ionized by external electrostatic field.« less

Electron Transfer Dissociation: Effects of Cation Charge State on Product Partitioning in Ion/Ion Electron Transfer to Multiply Protonated Polypeptides

PubMed Central

Liu, Jian; McLuckey, Scott A.

2012-01-01

The effect of cation charge state on product partitioning in the gas-phase ion/ion electron transfer reactions of multiply protonated tryptic peptides, model peptides, and relatively large peptides with singly charged radical anions has been examined. In particular, partitioning into various competing channels, such as proton transfer (PT) versus electron transfer (ET), electron transfer with subsequent dissociation (ETD) versus electron transfer with no dissociation (ET,noD), and fragmentation of backbone bonds versus fragmentation of side chains, was measured quantitatively as a function of peptide charge state to allow insights to be drawn about the fundamental aspects of ion/ion reactions that lead to ETD. The ET channel increases relative to the PT channel, ETD increases relative to ET,noD, and fragmentation at backbone bonds increases relative to side-chain cleavages as cation charge state increases. The increase in ET versus PT with charge state is consistent with a Landau-Zener based curve-crossing model. An optimum charge state for ET is predicted by the model for the ground state-to-ground state reaction. However, when the population of excited product ion states is considered, it is possible that a decrease in ET efficiency as charge state increases will not be observed due to the possibility of the population of excited electronic states of the products. Several factors can contribute to the increase in ETD versus ET,noD and backbone cleavage versus side-chain losses. These factors include an increase in reaction exothermicity and charge state dependent differences in precursor and product ion structures, stabilities, and sites of protonation. PMID:23264749

Magnetic field enhancement of organic photovoltaic cells performance.

PubMed

Oviedo-Casado, S; Urbina, A; Prior, J

2017-06-27

Charge separation is a critical process for achieving high efficiencies in organic photovoltaic cells. The initial tightly bound excitonic electron-hole pair has to dissociate fast enough in order to avoid photocurrent generation and thus power conversion efficiency loss via geminate recombination. Such process takes place assisted by transitional states that lie between the initial exciton and the free charge state. Due to spin conservation rules these intermediate charge transfer states typically have singlet character. Here we propose a donor-acceptor model for a generic organic photovoltaic cell in which the process of charge separation is modulated by a magnetic field which tunes the energy levels. The impact of a magnetic field is to intensify the generation of charge transfer states with triplet character via inter-system crossing. As the ground state of the system has singlet character, triplet states are recombination-protected, thus leading to a higher probability of successful charge separation. Using the open quantum systems formalism we demonstrate that the population of triplet charge transfer states grows in the presence of a magnetic field, and discuss the impact on carrier population and hence photocurrent, highlighting its potential as a tool for research on charge transfer kinetics in this complex systems.

Charge Order in (TMTTF)2TaF6 by Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Oka, Yuki; Matsunaga, Noriaki; Nomura, Kazushige; Kawamoto, Atsuhi; Yamamoto, Kaoru; Yakushi, Kyuya

2015-11-01

We have performed infrared spectroscopy in (TMTTF)2TaF6 (TMTTF: tetramethyltetrathiafulvalene) to investigate the relationship between the charge order (CO) state and the antiferromagnetic (AF) insulating ground state. A clear peak splitting corresponding to the charge disproportionation was observed below the CO transition temperature. We estimated the degree of charge disproportionation, Δρ = ρrich - ρpoor, as 0.28e from the peak splitting and found that the CO state coexists with the AF state and there is no charge redistribution below the AF transition.

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

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

Säkkinen, Niko; Peng, Yang; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem

2015-12-21

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model. This is an extension of a previous study of the ground state properties in the Hartree (H), partially self-consistent Born (Gd) and fully self-consistent Born (GD) approximationsmore » published in Säkkinen et al. [J. Chem. Phys. 143, 234101 (2015)]. Here, the homogeneous ground state solution is shown to become unstable for a sufficiently strong interaction while a symmetry-broken ground state solution is shown to be stable in the Hartree approximation. Signatures of this instability are observed for the partially self-consistent Born approximation but are not found for the fully self-consistent Born approximation. By understanding the stability properties, we are able to study the linear response regime by calculating the density-density response function by time-propagation. This amounts to a solution of the Bethe-Salpeter equation with a sophisticated kernel. The results indicate that none of the approximations is able to describe the response function during or beyond the bipolaronic crossover for the parameters investigated. Overall, we provide an extensive discussion on when the approximations are valid and how they fail to describe the studied exact properties of the chosen model system.« less

Charged Particle Diffusion in Isotropic Random Static Magnetic Fields

NASA Astrophysics Data System (ADS)

Subedi, P.; Sonsrettee, W.; Matthaeus, W. H.; Ruffolo, D. J.; Wan, M.; Montgomery, D.

2013-12-01

Study of the transport and diffusion of charged particles in a turbulent magnetic field remains a subject of considerable interest. Research has most frequently concentrated on determining the diffusion coefficient in the presence of a mean magnetic field. Here we consider Diffusion of charged particles in fully three dimensional statistically isotropic magnetic field turbulence with no mean field which is pertinent to many astrophysical situations. We classify different regions of particle energy depending upon the ratio of Larmor radius of the charged particle to the characteristic outer length scale of turbulence. We propose three different theoretical models to calculate the diffusion coefficient each applicable to a distinct range of particle energies. The theoretical results are compared with those from computer simulations, showing very good agreement.

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

Torii, Hajime, E-mail: torii.hajime@shizuoka.ac.jp

The intensity of the band at ∼200 cm{sup −1} (∼6 THz) in the Terahertz spectrum of liquid water mainly arises from the modulations of the extent of intermolecular charge transfer through hydrogen bonds, called intermolecular charge fluxes, occurring upon molecular translations along the O…H hydrogen bonds. To obtain reasonable spectral profiles from simulations, it is necessary to effectively incorporate the effects of those intermolecular charge fluxes, but apparently it is not possible by simple classical molecular dynamics simulations with fixed atomic partial charges even if they are amended by molecular induced dipoles due to intermolecular electrostatic interactions. The present paper showsmore » how we can do reasonably correct spectral simulations, without resorting to fully ab initio molecular dynamics.« less

Control of Screening of a Charged Particle in Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun nmn; Krstic, Predrag S

2011-01-01

Individual charged particles could be trapped and confined in the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different affects at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening effect and reinstating the electrophoretic confinement.« less

Control Of Screening Of A Charged Particle In Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun; Krstic, Predrag S.

2011-06-01

Individual charged particles could be trapped and confined by the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different effect at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening by electrolyte ions and reinstating the electrophoretic confinement.« less

Study of the inclusive production of charged pions, kaons, and protons in pp collisions at $$\\sqrt{s} = 0.9, 2.76,\\mbox{ and }7~\\mbox{TeV}$$

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

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

Spectra of identified charged hadrons are measured in pp collisions at the LHC for sqrt(s) = 0.9, 2.76, and 7 TeV. Charged pions, kaons, and protons in the transverse-momentum range pt approximately 0.1-1.7 GeV and for rapidities abs(y) < 1 are identified via their energy loss in the CMS silicon tracker. The average pt increases rapidly with the mass of the hadron and the event charged-particle multiplicity, independently of the center-of-mass energy. The fully corrected pt spectra and integrated yields are compared to various tunes of the PYTHIA6 and PYTHIA8 event generators.

Remote Diagnostic Measurements of Hall Thruster Plumes

DTIC Science & Technology

2009-08-14

This paper describes measurements of Hall thruster plumes that characterize ion energy distributions and charge state fractions using remotely...charge state. Next, energy and charge state measurements are described from testing of a 200 W Hall thruster at AFIT. Measurements showed variation in...position. Finally, ExB probe charge state measurements are presented from a 6-kW laboratory Hall thruster operated at low discharge voltage levels at AFRL

Measurements of charge state distributions of 0.74 and 1.4 MeV /u heavy ions passing through dilute gases

NASA Astrophysics Data System (ADS)

Scharrer, P.; Düllmann, Ch. E.; Barth, W.; Khuyagbaatar, J.; Yakushev, A.; Bevcic, M.; Gerhard, P.; Groening, L.; Horn, K. P.; Jäger, E.; Krier, J.; Vormann, H.

2017-04-01

In many modern heavy-ion accelerator facilities, gas strippers are used to increase the projectile charge state for improving the acceleration efficiency of ion beams to higher energies. For this application, the knowledge on the behavior of charge state distributions of heavy-ions after passing through dilute gases is of special interest. Charge state distributions of uranium (238U), bismuth (209Bi), titanium (50Ti), and argon (40Ar) ion beams with energies of 0.74 MeV /u and 1.4 MeV /u after passing through hydrogen (H2 ), helium (He), carbon dioxide (CO2 ), nitrogen (N2 ), oxygen (O2 ), neon (Ne), and argon (Ar) gases were measured. Gas stripper target thicknesses up to 100 μ g /cm2 were applied. The observed behavior of the charge state distributions, including their width and mean charge state, are discussed. The measurements show the highest equilibrium charge state at 1.4 MeV /u for 238U on H2 gas of 29.2 ±1.2 . Narrow charge state distributions are observed for 238U and 209Bi on H2 and He gas, which are highly beneficial, e.g., for the production of beams of high intensities in accelerators.

Optical charge state control of spin defects in 4H-SiC

DOE PAGES

Wolfowicz, Gary; Anderson, Christopher P.; Yeats, Andrew L.; ...

2017-11-30

Defects in silicon carbide (SiC) have emerged as a favorable platform for optically active spin-based quantum technologies. Spin qubits exist in specific charge states of these defects, where the ability to control these states can provide enhanced spin-dependent readout and long-term charge stability. We investigate this charge state control for two major spin qubits in 4H-SiC, the divacancy and silicon vacancy, obtaining bidirectional optical charge conversion between the bright and dark states of these defects. We measure increased photoluminescence from divacancy ensembles by up to three orders of magnitude using near-ultraviolet excitation, depending on the substrate, and without degrading themore » electron spin coherence time. This charge conversion remains stable for hours at cryogenic temperatures, allowing spatial and persistent patterning of the charge state populations. As a result, we develop a comprehensive model of the defects and optical processes involved, offering a strong basis to improve material design and to develop quantum applications in SiC.« less

Optical charge state control of spin defects in 4H-SiC

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

Wolfowicz, Gary; Anderson, Christopher P.; Yeats, Andrew L.

Defects in silicon carbide (SiC) have emerged as a favorable platform for optically active spin-based quantum technologies. Spin qubits exist in specific charge states of these defects, where the ability to control these states can provide enhanced spin-dependent readout and long-term charge stability. We investigate this charge state control for two major spin qubits in 4H-SiC, the divacancy and silicon vacancy, obtaining bidirectional optical charge conversion between the bright and dark states of these defects. We measure increased photoluminescence from divacancy ensembles by up to three orders of magnitude using near-ultraviolet excitation, depending on the substrate, and without degrading themore » electron spin coherence time. This charge conversion remains stable for hours at cryogenic temperatures, allowing spatial and persistent patterning of the charge state populations. As a result, we develop a comprehensive model of the defects and optical processes involved, offering a strong basis to improve material design and to develop quantum applications in SiC.« 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.

Property Morphology Correlations of Organic Semiconductor Nanowires

NASA Astrophysics Data System (ADS)

McFarland, Frederick Marshall

Chemically doped and non-doped P3HT nanoaggregates are studied to establish a comprehensive understanding of the interplay between their morphology and various optoelectronic properties. One-dimensional nanoaggregates of P3HT are chosen as the model systems here due to their high surface/volume ratio and suitability for microscopic investigations. Atomic force microscopy (AFM) and kelvin probe force microscopy (KPFM) are used to correlate property/morphology characteristics of non-doped P3HT nanowhiskers. Topographical measurements indicate that individually folded P3HT motifs stack via interfacial interactions to form nanowhiskers in solution. Further aging leads to multi-layered nanowhiskers with greater stability and less instances of ?-? sliding of interfacial edge-on oriented motifs. KPFM measurements show higher surface potentials on portions of nanowhiskers containing local defects and stacking faults due to overlapping, and nanowhiskers that are at least triple-layered. Simultaneous UV-Vis and AFM characterizations compare the aggregation rates and morphologies of doped and non-doped P3HT nanowhiskers. Allowing fully solubilized P3HT to age without doping may produce high aspect ratio nanowhiskers containing disordered segments protruding out from the edges of the nanowhiskers. These protruding segments could also serve as "tie-molecules" between adjacent nanowhiskers. Doping fully solubilized P3HT will lead to substantially higher rates of P3HT aggregation. Doped nanowhiskers also display different morphologies. They pack tighter, are smoother, and are thicker and higher versus non-doped nanowhiskers, indicating a different aggregation mechanism. Stopped flow-kinetics was employed to investigate the reactivity of two distinctively different morphological forms of P3HT towards dopants. Fully solubilized P3HT undergoes a slow doping mechanism whereas pre-aggregated P3HT undergoes a fast doping mechanism. Pseudo-single reactant rate fittings indicate that both mechanisms appear to be 1st order in P3HT, whereby pre-aggregated P3HT mixtures will produce more doped products per P3HT monomer unit than fully solubilized P3HT. This study highlights the impact of conjugated polymer's morphology on their doping efficiency. Density functional theory was used to investigate the charge transfer (CT) states between oligothiophene and F4-TCNQ. CT of several unreported complexes that feature two oligomers stacked in a sandwich or layered configuration is investigated. Our preliminary results suggest that these new complexes can generate substantially more charge per F4-TCNQ than previously reported.

Role of protein surface charge in monellin sweetness.

PubMed

Xue, Wei-Feng; Szczepankiewicz, Olga; Thulin, Eva; Linse, Sara; Carey, Jannette

2009-03-01

A small number of proteins have the unusual property of tasting intensely sweet. Despite many studies aimed at identifying their sweet taste determinants, the molecular basis of protein sweetness is not fully understood. Recent mutational studies of monellin have implicated positively charged residues in sweetness. In the present work, the effect of overall net charge was investigated using the complementary approach of negative charge alterations. Multiple substitutions of Asp/Asn and Glu/Gln residues radically altered the surface charge of single-chain monellin by removing six negative charges or adding four negative charges. Biophysical characterization using circular dichroism, fluorescence, and two-dimensional NMR demonstrates that the native fold of monellin is preserved in the variant proteins under physiological solution conditions although their stability toward chemical denaturation is altered. A human taste test was employed to determine the sweetness detection threshold of the variants. Removal of negative charges preserves monellin sweetness, whereas added negative charge has a large negative impact on sweetness. Meta-analysis of published charge variants of monellin and other sweet proteins reveals a general trend toward increasing sweetness with increasing positive net charge. Structural mapping of monellin variants identifies a hydrophobic surface predicted to face the receptor where introduced positive or negative charge reduces sweetness, and a polar surface where charges modulate long-range electrostatic complementarity.

Hydrated Excess Protons Can Create Their Own Water Wires.

PubMed

Peng, Yuxing; Swanson, Jessica M J; Kang, Seung-gu; Zhou, Ruhong; Voth, Gregory A

2015-07-23

Grotthuss shuttling of an excess proton charge defect through hydrogen bonded water networks has long been the focus of theoretical and experimental studies. In this work we show that there is a related process in which water molecules move ("shuttle") through a hydrated excess proton charge defect in order to wet the path ahead for subsequent proton charge migration. This process is illustrated through reactive molecular dynamics simulations of proton transport through a hydrophobic nanotube, which penetrates through a hydrophobic region. Surprisingly, before the proton enters the nanotube, it starts "shooting" water molecules into the otherwise dry space via Grotthuss shuttling, effectively creating its own water wire where none existed before. As the proton enters the nanotube (by 2-3 Å), it completes the solvation process, transitioning the nanotube to the fully wet state. By contrast, other monatomic cations (e.g., K(+)) have just the opposite effect, by blocking the wetting process and making the nanotube even drier. As the dry nanotube gradually becomes wet when the proton charge defect enters it, the free energy barrier of proton permeation through the tube via Grotthuss shuttling drops significantly. This finding suggests that an important wetting mechanism may influence proton translocation in biological systems, i.e., one in which protons "create" their own water structures (water "wires") in hydrophobic spaces (e.g., protein pores) before migrating through them. An existing water wire, e.g., one seen in an X-ray crystal structure or MD simulations without an explicit excess proton, is therefore not a requirement for protons to transport through hydrophobic spaces.

Hydrated Excess Protons Can Create Their Own Water Wires

PubMed Central

2014-01-01

Grotthuss shuttling of an excess proton charge defect through hydrogen bonded water networks has long been the focus of theoretical and experimental studies. In this work we show that there is a related process in which water molecules move (“shuttle”) through a hydrated excess proton charge defect in order to wet the path ahead for subsequent proton charge migration. This process is illustrated through reactive molecular dynamics simulations of proton transport through a hydrophobic nanotube, which penetrates through a hydrophobic region. Surprisingly, before the proton enters the nanotube, it starts “shooting” water molecules into the otherwise dry space via Grotthuss shuttling, effectively creating its own water wire where none existed before. As the proton enters the nanotube (by 2–3 Å), it completes the solvation process, transitioning the nanotube to the fully wet state. By contrast, other monatomic cations (e.g., K+) have just the opposite effect, by blocking the wetting process and making the nanotube even drier. As the dry nanotube gradually becomes wet when the proton charge defect enters it, the free energy barrier of proton permeation through the tube via Grotthuss shuttling drops significantly. This finding suggests that an important wetting mechanism may influence proton translocation in biological systems, i.e., one in which protons “create” their own water structures (water “wires”) in hydrophobic spaces (e.g., protein pores) before migrating through them. An existing water wire, e.g., one seen in an X-ray crystal structure or MD simulations without an explicit excess proton, is therefore not a requirement for protons to transport through hydrophobic spaces. PMID:25369445

Contribution of Charged Groups to the Enthalpic Stabilization of the Folded States of Globular Proteins

PubMed Central

Dadarlat, Voichita M.; Post, Carol Beth

2016-01-01

In this paper we use the results from all atom MD simulations of proteins and peptides to assess individual contribution of charged atomic groups to the enthalpic stability of the native state of globular proteins and investigate how the distribution of charged atomic groups in terms of solvent accessibility relates to protein enthalpic stability. The contributions of charged groups is calculated using a comparison of nonbonded interaction energy terms from equilibrium simulations of charged amino acid dipeptides in water (the “unfolded state”) and charged amino acids in globular proteins (the “folded state”). Contrary to expectation, the analysis shows that many buried, charged atomic groups contribute favorably to protein enthalpic stability. The strongest enthalpic contributions favoring the folded state come from the carboxylate (COO−) groups of either Glu or Asp. The contributions from Arg guanidinium groups are generally somewhat stabilizing, while NH3+ groups from Lys contribute little toward stabilizing the folded state. The average enthalpic gain due to the transfer of a methyl group in an apolar amino acid from solution to the protein interior is described for comparison. Notably, charged groups that are less exposed to solvent contribute more favorably to protein native-state enthalpic stability than charged groups that are solvent exposed. While solvent reorganization/release has favorable contributions to folding for all charged atomic groups, the variation in folded state stability among proteins comes mainly from the change in the nonbonded interaction energy of charged groups between the unfolded and folded states. A key outcome is that the calculated enthalpic stabilization is found to be inversely proportional to the excess charge density on the surface, in support of an hypothesis proposed previously. PMID:18303881

Thermo-selective Tm(x)Ti(1-x)O(2-x/2) nanoparticles: from Tm-doped anatase TiO2 to a rutile/pyrochlore Tm2Ti2O7 mixture. An experimental and theoretical study with a photocatalytic application.

PubMed

Navas, Javier; Sánchez-Coronilla, Antonio; Aguilar, Teresa; De los Santos, Desireé M; Hernández, Norge C; Alcántara, Rodrigo; Fernández-Lorenzo, Concha; Martín-Calleja, Joaquín

2014-11-07

This is an experimental and theoretical study of thulium doped TiO2 nanoparticles. From an experimental perspective, a method was used to synthesize thulium-doped TiO2 nanoparticles in which Tm(3+) replaces Ti(4+) in the lattice, which to our knowledge has neither been reported nor studied theoretically so far. Different proportions of anatase and rutile phases were obtained at different annealing temperatures, and XRD and Raman spectroscopy also revealed the presence of a pyrochlore phase (Tm2Ti2O7) at 1173 K. Thus, the structure of the Tm-doped nanoparticles was thermally-controlled. Furthermore, XPS showed the presence of Tm(3+) in the samples synthesized, which produces oxygen vacancies to maintain the local neutrality in the lattice. The presence of Tm(3+) in the samples led to changes in the UV-Vis absorption spectra, so they showed photoluminescence properties and new states in the band gap, which produce a new lower energy electronic transition than the main TiO2 one. Periodic DFT calculations were performed to understand the experimentally produced structures. The production of oxygen vacancies was analysed and the changes generated in the structure were fully detailed. The DOS and PDOS analyses confirmed the experimental results obtained using UV-Vis spectroscopy, and showed that the new electronic states in the band gap are due to interactions of the f state of Tm and the p state of O. Likewise, the charge study and the ELF analysis indicate that when Tm is introduced into the TiO2 structure, the Ti-O bond around the oxygen vacancy is strengthened. Finally, an example of a photocatalytic application was developed to show the high efficiency of the samples due to the heterojunction in the interfaces of the phases in the samples, which improved the charge separation and the good charge carrier mobility due to the presence of the pyrochlore phase, as was also shown theoretically.

Influence of argon and oxygen on charge-state-resolved ion energydistributions of filtered aluminum arcs

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

Rosen, Johanna; Anders, Andre; Mraz, Stanislav

2006-03-23

The charge-state-resolved ion energy distributions (IEDs) in filtered aluminum vacuum arc plasmas were measured and analyzed at different oxygen and argon pressures in the range 0.5 8.0 mTorr. A significant reduction of the ion energy was detected as the pressure was increased, most pronounced in an argon environment and for the higher charge states. The corresponding average charge state decreased from 1.87 to 1.0 with increasing pressure. The IEDs of all metal ions in oxygen were fitted with shifted Maxwellian distributions. The results show that it is possible to obtain a plasma composition with a narrow charge-state distribution as wellmore » as a narrow IED. These data may enable tailoring thin-film properties through selecting growth conditions that are characterized by predefined charge state and energy distributions.« less

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.

An Ab Initio Exciton Model Including Charge-Transfer Excited States.

PubMed

Li, Xin; Parrish, Robert M; Liu, Fang; Kokkila Schumacher, Sara I L; Martínez, Todd J

2017-08-08

The Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states [ Acc. Chem. Res. 2014 , 47 , 2857 - 2866 ]. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited states and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.

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.

Application of the bounds-analysis approach to arsenic and gallium antisite defects in gallium arsenide

DOE PAGES

Wright, A. F.; Modine, N. A.

2015-01-23

The As antisite in GaAs (AsGa) has been the subject of numerous experimental and theoretical studies. Recent density-functional-theory (DFT) studies report results in good agreement with experimental data for the +2, +1, and 0 charge states of the stable EL2 structure, the 0 charge state of the metastable EL2* structure, and the activation energy to transform from EL2* to EL2 in the 0 charge state. However, these studies did not report results for EL2* in the -1 charge state. In this paper, we report new DFT results for the +2, +1, 0, and -1 charge states of AsGa, obtained usingmore » a semilocal exchange-correlation functional and interpreted using a bounds-analysis approach. In good agreement with experimental data, we find a -1/0 EL2* level 0.06 eV below the conduction-band edge and an activation energy of 0.05 eV to transform from EL2* to EL2 in the -1 charge state. While the Ga antisite in GaAs (GaAs) has not been studied as extensively as AsGa, experimental studies report three charge states (-2, -1, 0) and two levels (-2/-1, -1/0) close to the valence-band edge. Recent DFT studies report the same charge states, but the levels are found to be well-separated from the valence-band edge. To resolve this disagreement, we performed new DFT calculations for GaAs and interpreted them using a bounds analysis. The analysis identified the -1 and 0 charge states as hole states weakly bound to a highly-localized -2 charge state. Moreover, the -2/-1, -1/0 levels were found to be near the valence-band edge, in good agreement with the experimental data.« less

PHD TUTORIAL: A complete numerical approach to electron hydrogen collisions

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.

2006-11-01

This tutorial presents an extensive computational study of electron-impact scattering and ionization of atomic hydrogen and hydrogenic ions, through the solution of the non-relativistic Schrödinger equation in coordinate space using propagating exterior complex scaling (PECS). It details the complete numerical and computational development of the PECS method, which enables highly computationally-efficient solution of these collision systems. Benchmark results are presented for a complete range of electron-hydrogen collisions, including discrete elastic and inelastic scattering both below and above the ionization threshold energy, very low-energy ionizing collisions through to moderately high-energy ionizing collisions, ground-state and excited-state targets and charged hydrogenic targets with Z <= 4. Total ionization cross sections through to fully differential cross sections, both in-plane and out-of-plane, are given and are found to be in excellent accord with other state-of-the-art methods and measurements, where available. We also review our recent confirmation (Bartlett and Stelbovics 2004 Phys. Rev. Lett. 93 233201) of the Wannier and related threshold laws for e-H collisions.

Adaptive on-line prediction of the available power of lithium-ion batteries

NASA Astrophysics Data System (ADS)

Waag, Wladislaw; Fleischer, Christian; Sauer, Dirk Uwe

2013-11-01

In this paper a new approach for prediction of the available power of a lithium-ion battery pack is presented. It is based on a nonlinear battery model that includes current dependency of the battery resistance. It results in an accurate power prediction not only at room temperature, but also at lower temperatures at which the current dependency is substantial. The used model parameters are fully adaptable on-line to the given state of the battery (state of charge, state of health, temperature). This on-line adaption in combination with an explicit consideration of differences between characteristics of individual cells in a battery pack ensures an accurate power prediction under all possible conditions. The proposed trade-off between the number of used cell parameters and the total accuracy as well as the optimized algorithm results in a real-time capability of the method, which is demonstrated on a low-cost 16 bit microcontroller. The verification tests performed on a software-in-the-loop test bench system with four 40 Ah lithium-ion cells show promising results.

Transport, charge exchange and loss of energetic heavy ions in the earth's radiation belts - Applicability and limitations of theory

NASA Technical Reports Server (NTRS)

Spjeldvik, W. N.

1981-01-01

Computer simulations of processes which control the relative abundances of ions in the trapping regions of geospace are compared with observations from discriminating ion detectors. Energy losses due to Coulomb collisions between ions and exospheric neutrals are considered, along with charge exchange losses and internal charge exchanges. The time evolution of energetic ion fluxes of equatorially mirroring ions under radial diffusion is modelled to include geomagnetic and geoelectric fluctutations. Limits to the validity of diffusion transport theory are discussed, and the simulation is noted to contain provisions for six ionic charge states and the source effect on the radiation belt oxygen ion distributions. Comparisons are made with ion flux data gathered on Explorer 45 and ISEE-1 spacecraft and results indicate that internal charge exchanges cause the radiation belt ion charge state to be independent of source charge rate characteristics, and relative charge state distribution is independent of the radially diffusive transport rate below the charge state redistribution zone.

Thermodynamic, electronic, and magnetic properties of intrinsic vacancy defects in antiperovskite Ca3SnO

NASA Astrophysics Data System (ADS)

Batool, Javaria; Alay-e-Abbas, Syed Muhammad; Amin, Nasir

2018-04-01

The density functional theory based total energy calculations are performed to examine the effect of charge neutral and fully charged intrinsic vacancy defects on the thermodynamic, electronic, and magnetic properties of Ca3SnO antiperovskite. The chemical stability of Ca3SnO is evaluated with respect to binary compounds CaO, CaSn, and Ca2Sn, and the limits of atomic chemical potentials of Ca, Sn, and O atoms for stable synthesis of Ca3SnO are determined within the generalized gradient approximation parametrization scheme. The electronic properties of the pristine and the non-stoichiometric forms of this compound have been explored and the influence of isolated intrinsic vacancy defects (Ca, Sn, and O) on the structural, bonding, and electronic properties of non-stoichiometric Ca3SnO are analyzed. We also predict the possibility of achieving stable ferromagnetism in non-stoichiometric Ca3SnO by means of charge neutral tin vacancies. From the calculated total energies and the valid ranges of atomic chemical potentials, the formation energetics of intrinsic vacancy defects in Ca3SnO are evaluated for various growth conditions. Our results indicate that the fully charged calcium vacancies are thermodynamically stable under the permissible Sn-rich condition of stable synthesis of Ca3SnO, while tin and oxygen vacancies are found to be stable under the extreme Ca-rich condition.

Substituent and Solvent Effects on Excited State Charge Transfer Behavior of Highly Fluorescent Dyes Containing Thiophenylimidazole-Based Aldehydes

NASA Technical Reports Server (NTRS)

Santos, Javier; Bu, Xiu R.; Mintz, Eric A.

2001-01-01

The excited state charge transfer for a series of highly fluorescent dyes containing thiophenylimidazole moiety was investigated. These systems follow the Twisted Intramolecular Charge Transfer (TICT) model. Dual fluorescence was observed for each substituted dye. X-ray structures analysis reveals a twisted ground state geometry for the donor substituted aryl on the 4 and 5 position at the imidazole ring. The excited state charge transfer was modeled by a linear solvation energy relationship using Taft's pi and Dimroth's E(sub T)(30) as solvent parameters. There is linear relation between the energy of the fluorescence transition and solvent polarity. The degree of stabilization of the excited state charge transfer was found to be consistent with the intramolecular molecular charge transfer. Excited dipole moment was studied by utilizing the solvatochromic shift method.

The First Flight of ATIC : Preliminary Results on CNO Nuclei

NASA Technical Reports Server (NTRS)

Fazely, A.; Gunasingha, R.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

We present preliminary results on the spectra of CNO nuclei in the cosmic radiation as measured in the first flight of the Advanced Thin Ionization Calorimeter Balloon Experiment (ATIC) which lasted for 16 days, starting in December, 2000 with a launch from McMurdo, Antarctica. ATIC is a multiple, long duration balloon flight,investigation for the study of cosmic ray spectra from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Germanate (BGO) calorimeter. It is equipped with the first large area mosaic of small fully depleted silicon detector pads capable of charge identification in cosmic rays from H to Fe. As a redundancy check for the charge identification and a coarse particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the center and below a Carbon interaction'target'.

The CNO Concentration in Cosmic Ray Spectrum as Measured From The Advanced Thin Ionization Calorimeter Experiment

NASA Technical Reports Server (NTRS)

Fazely, A. R.; Gunasingha, R. M.; Adams, James H., Jr.; Ahn, H.; Ampe, J.; Bashindzhagyan, G.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

We present preliminary results on the spectra of CNO nuclei in the cosmic radiation as measured in the first flight of the Advanced Thin Ionization Calorimeter Balloon Experiment (ATIC) which lasted for 16 days, starting in December, 2000 with a launch from McMurdo, Antarctica. ATIC is a multiple, long duration balloon flight, investigation for the study of cosmic ray spectra from below 50 GeV to near 100 TeV total energy, using a fully active Bismuth Germanate (BGO) calorimeter. It is equipped with the first large area mosaic of small fully depleted silicon detector pads capable of charge identification in cosmic rays from H to Fe. As a redundancy check for the charge identification and a coarse particle tracking system, three projective layers of x-y scintillator hodoscopes were employed, above, in the center and below a Carbon interaction "target".

[Probabilistic calculations of biomolecule charge states that generate mass spectra of multiply charged ions].

PubMed

Raznikova, M O; Raznikov, V V

2015-01-01

In this work, information relating to charge states of biomolecule ions in solution obtained using the electrospray ionization mass spectrometry of different biopolymers is analyzed. The data analyses have mainly been carried out by solving an inverse problem of calculating the probabilities of retention of protons and other charge carriers by ionogenic groups of biomolecules with known primary structures. The approach is a new one and has no known to us analogues. A program titled "Decomposition" was developed and used to analyze the charge distribution of ions of native and denatured cytochrome c mass spectra. The possibility of splitting of the charge-state distribution of albumin into normal components, which likely corresponds to various conformational states of the biomolecule, has been demonstrated. The applicability criterion for using previously described method of decomposition of multidimensional charge-state distributions with two charge carriers, e.g., a proton and a sodium ion, to characterize the spatial structure of biopolymers in solution has been formulated. In contrast to known mass-spectrometric approaches, this method does not require the use of enzymatic hydrolysis or collision-induced dissociation of the biopolymers.

Charge-transfer cross sections in collisions of ground-state Ca and H+

NASA Astrophysics Data System (ADS)

Dutta, C. M.; Oubre, C.; Nordlander, P.; Kimura, M.; Dalgarno, A.

2006-03-01

We have investigated collisions of Ca(4s2) with H+ in the energy range of 200eV/u-10keV/u using the semiclassical molecular-orbital close-coupling (MOCC) method with 18 coupled molecular states ( 11Σ+1 and seven Π+1 states) to determine charge-transfer cross sections. Except for the incoming channel 6Σ+1 , the molecular states all correspond to charge-transfer channels. Inclusion of Ca2+-H- is crucial in the configuration-interaction calculation for generating the molecular wave functions and potentials. Because of the Coulomb attraction, the state separating to Ca2+-H- creates many avoided crossings, even though at infinite separation it lies energetically above all other states that we included. Because of the avoided crossings between the incoming channel 6Σ+1 and the energetically close charge-transfer channel 7Σ+1 the charge-transfer interaction occurs at long range. This makes calculations of charge-transfer cross sections by the MOCC method very challenging. The total charge-transfer cross sections increase monotonically from 3.4×10-15cm2 at 200eV/u to 4.5×10-15cm2 at 10keV/u . Charge transfer occurs mostly to the excited Ca+(5p) state in the entire energy range, which is the sum of the charge transfer to 7Σ+1 and 4Π+1 . It accounts for ˜47% of the total charge transfer cross sections at 200eV/u . However, as the energy increases, transfer to Ca+(4d) increases, and at 10keV/u the charge-transfer cross sections for Ca+(5p) and Ca+(4d) become comparable, each giving ˜38% of the total cross section.

An Ab Initio Exciton Model Including Charge-Transfer Excited States

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

Li, Xin; Parrish, Robert M.; Liu, Fang

Here, the Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited statesmore » and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.« less

An Ab Initio Exciton Model Including Charge-Transfer Excited States

DOE PAGES

Li, Xin; Parrish, Robert M.; Liu, Fang; ...

2017-06-15

Here, the Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited statesmore » and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.« less

State-of-charge coulometer

NASA Technical Reports Server (NTRS)

Rowlette, J. J. (Inventor)

1985-01-01

A coulometer for accurately measuring the state-of-charge of an open-cell battery utilizing an aqueous electrolyte, includes a current meter for measuring the battery/discharge current and a flow meter for measuring the rate at which the battery produces gas during charge and discharge. Coupled to the flow meter is gas analyzer which measures the oxygen fraction of the battery gas. The outputs of the current meter, flow meter, and gas analyzer are coupled to a programmed microcomputer which includes a CPU and program and data memories. The microcomputer calculates that fraction of charge and discharge current consumed in the generation of gas so that the actual state-of-charge can be determined. The state-of-charge is then shown on a visual display.

Method and apparatus for controlling battery charging in a hybrid electric vehicle

DOEpatents

Phillips, Anthony Mark; Blankenship, John Richard; Bailey, Kathleen Ellen; Jankovic, Miroslava

2003-06-24

A starter/alternator system (24) for hybrid electric vehicle (10) having an internal combustion engine (12) and an energy storage device (34) has a controller (30) coupled to the starter/alternator (26). The controller (30) has a state of charge manager (40) that monitors the state of charge of the energy storage device. The controller has eight battery state-of-charge threshold values that determine the hybrid operating mode of the hybrid electric vehicle. The value of the battery state-of-charge relative to the threshold values is a factor in the determination of the hybrid mode, for example; regenerative braking, charging, battery bleed, boost. The starter/alternator may be operated as a generator or a motor, depending upon the mode.

A wearable multiplexed silicon nonvolatile memory array using nanocrystal charge confinement

PubMed Central

Kim, Jaemin; Son, Donghee; Lee, Mincheol; Song, Changyeong; Song, Jun-Kyul; Koo, Ja Hoon; Lee, Dong Jun; Shim, Hyung Joon; Kim, Ji Hoon; Lee, Minbaek; Hyeon, Taeghwan; Kim, Dae-Hyeong

2016-01-01

Strategies for efficient charge confinement in nanocrystal floating gates to realize high-performance memory devices have been investigated intensively. However, few studies have reported nanoscale experimental validations of charge confinement in closely packed uniform nanocrystals and related device performance characterization. Furthermore, the system-level integration of the resulting devices with wearable silicon electronics has not yet been realized. We introduce a wearable, fully multiplexed silicon nonvolatile memory array with nanocrystal floating gates. The nanocrystal monolayer is assembled over a large area using the Langmuir-Blodgett method. Efficient particle-level charge confinement is verified with the modified atomic force microscopy technique. Uniform nanocrystal charge traps evidently improve the memory window margin and retention performance. Furthermore, the multiplexing of memory devices in conjunction with the amplification of sensor signals based on ultrathin silicon nanomembrane circuits in stretchable layouts enables wearable healthcare applications such as long-term data storage of monitored heart rates. PMID:26763827

Time-resolved determination of the potential of zero charge at polycrystalline Au/ionic liquid interfaces

NASA Astrophysics Data System (ADS)

Vargas-Barbosa, Nella M.; Roling, Bernhard

2018-05-01

The potential of zero charge (PZC) is a fundamental property that describes the electrode/electrolyte interface. The determination of the PZC at electrode/ionic liquid interfaces has been challenging due to the lack of models that fully describe these complex interfaces as well as the non-standardized approaches used to characterize them. In this work, we present a method that combines electrode immersion transient and impedance measurements for the determination of the PZC. This combined approach allows the distinction of the potential of zero free charge (pzfc), related to fast double layer charging on a millisecond timescale, from a potential of zero charge on a timescale of tens of seconds related to slower ion transport processes at the interface. Our method highlights the complementarity of these electrochemical techniques and the importance of selecting the correct timescale to execute experiments and interpret the results.

A wearable multiplexed silicon nonvolatile memory array using nanocrystal charge confinement.

PubMed

Kim, Jaemin; Son, Donghee; Lee, Mincheol; Song, Changyeong; Song, Jun-Kyul; Koo, Ja Hoon; Lee, Dong Jun; Shim, Hyung Joon; Kim, Ji Hoon; Lee, Minbaek; Hyeon, Taeghwan; Kim, Dae-Hyeong

2016-01-01

Strategies for efficient charge confinement in nanocrystal floating gates to realize high-performance memory devices have been investigated intensively. However, few studies have reported nanoscale experimental validations of charge confinement in closely packed uniform nanocrystals and related device performance characterization. Furthermore, the system-level integration of the resulting devices with wearable silicon electronics has not yet been realized. We introduce a wearable, fully multiplexed silicon nonvolatile memory array with nanocrystal floating gates. The nanocrystal monolayer is assembled over a large area using the Langmuir-Blodgett method. Efficient particle-level charge confinement is verified with the modified atomic force microscopy technique. Uniform nanocrystal charge traps evidently improve the memory window margin and retention performance. Furthermore, the multiplexing of memory devices in conjunction with the amplification of sensor signals based on ultrathin silicon nanomembrane circuits in stretchable layouts enables wearable healthcare applications such as long-term data storage of monitored heart rates.

Hydrogen-Oxygen PEM Regenerative Fuel Cell Development at the NASA Glenn Research Center

NASA Technical Reports Server (NTRS)

Bents, David J.; Scullin, Vincent J.; Chang, Bei-Jiann; Johnson, Donald W.; Garcia, Christoher P.; Jakupca, Ian J.

2005-01-01

The closed-cycle hydrogen-oxygen PEM regenerative fuel cell (RFC) at the NASA Glenn Research Center has successfully demonstrated closed cycle operation at rated power for multiple charge-discharge cycles. During charge cycle the RFC has absorbed input electrical power simulating a solar day cycle ranging from zero to 15 kWe peak, and delivered steady 5 kWe output power for periods exceeding 8 hr. Orderly transitions from charge to discharge mode, and return to charging after full discharge, have been accomplished without incident. Continuing test operations focus on: (1) Increasing the number of contiguous uninterrupted charge discharge cycles; (2) Increasing the performance envelope boundaries; (3) Operating the RFC as an energy storage device on a regular basis; (4) Gaining operational experience leading to development of fully automated operation; and (5) Developing instrumentation and in situ fluid sampling strategies to monitor health and anticipate breakdowns.

Can patients be sure they are fully informed when representatives of surgical equipment manufacturers attend their operations?

PubMed Central

Sillender, M

2006-01-01

Objective To determine the practice in UK hospitals regarding the level of patient involvement and consent when representatives of commercial surgical device manufacturers attend and advise during operations. Methods An anonymous postal questionnaire was sent to the senior nurse in charge in all 236 UK gynaecology theatres in 2004. 79/236 (33%) replies were received. Results Operating departments were visited every 2 weeks on average by a representative of the surgical device manufacturer. Actual operations were attended every 10 weeks, although there was much variation. 33/79 (42%) units consistently obtained patient consent for visits, usually orally, whereas 40/79 (51%) units did not. 65/79 (82%) units had no guidelines for surgical device representative visits. 91% of nurses in charge believed that there should be guidelines to protect both patients and staff. 6/79 (8%) units were preparing local guidelines at the time of the survey. Conclusions Currently, patient safety, confidentiality and autonomy are being protected by a minority of NHS operating theatres when surgical device representatives attend surgery. National guidelines would hopefully ensure that fully informed patient consent is obtained and that representatives are fully trained and supervised. PMID:16816038

Nanocapsule of cationic liposomes obtained using "in situ" acrylic acid polymerization: stability, surface charge and biocompatibility.

PubMed

Scarioti, Giovana Danieli; Lubambo, Adriana; Feitosa, Judith P A; Sierakowski, Maria Rita; Bresolin, Tania M B; de Freitas, Rilton Alves

2011-10-15

In this work, didecyldimethylammonium bromide (DDAB) and 1,2-dioleoyl-sn-glycero-3-phosphatidylethanolamine (DOPE) (2.5:1) were used to prepare liposomes coated with polyacrylic acid (PAA) using "in situ" polymerization with 2.5, 5 and 25 mM of acrylic acid (AA). The PAA concentrations were chosen to achieve partially to fully covered capsules, and the polymerization reaction was observed with real-time monitoring using dynamic light scattering (NanoDLS). The DDAB:DOPE liposomes showed stability in the tested temperature range (25-70°C), whereas the results confirmed the success of the polymerization according to superficial charge (zeta potential of +66.7±1.2 mV) results and AFM images. For the liposomes that were fully coated with PAA (zeta potential of +0.3±3.9 mV), cytotoxicity was independent of the concentration of albumin. Cationic liposomes and nanocapsules of the stable liposomes coated with PAA were obtained by controlling the surface charge, which was the most important factor related to cytotoxicity. Thus, a potential, safe drug nanocarrier was successfully developed in this work. Copyright © 2011 Elsevier B.V. All rights reserved.

Electron-electron correlation in two-photon double ionization of He-like ions

NASA Astrophysics Data System (ADS)

Hu, S. X.

2018-01-01

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding and strong-field-induced multielectron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photoinduced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions (L i+,B e2 + , and C4 +) exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra as the ionic charge increases, which is opposite to the intuition that the absolute increase of correlation in the ground state should lead to more equal energy sharing in photoionization. These findings indicate that the final-state electron-electron correlation ultimately determines the energy sharing of the two ionized electrons in TPDI.

Transport-related triplet states and hyperfine couplings in organic tandem solar cells probed by pulsed electrically detected magnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

Kraffert, Felix; Bahro, Daniel; Meier, Christoph; Denne, Maximilian; Colsmann, Alexander; Behrends, Jan

2017-09-01

Tandem solar cells constitute the most successful organic photovoltaic devices with power conversion efficiencies comparable to thin-film silicon solar cells. Especially their high open-circuit voltage - only achievable by a well-adjusted layer stacking - leads to their high efficiencies. Nevertheless, the microscopic processes causing the lossless recombination of charge carriers within the recombination zone are not well understood yet. We show that advanced pulsed electrically detected magnetic resonance techniques such as electrically detected (ED)-Rabi nutation measurements and electrically detected hyperfine sublevel correlation (ED-HYSCORE) spectroscopy help to understand the role of triplet excitons in these microscopic processes. We investigate fully working miniaturised organic tandem solar cells and detect current-influencing doublet states in different layers as well as triplet excitons located on the fullerene-based acceptor. We apply ED-HYSCORE in order to study the nuclear spin environment of the relevant electron/hole spins and detect a significant amount of the low abundant 13C nuclei coupled to the observer spins.

Note on zero temperature holographic superfluids

NASA Astrophysics Data System (ADS)

Guo, Minyong; Lan, Shanquan; Niu, Chao; Tian, Yu; Zhang, Hongbao

2016-06-01

In this note, we have addressed various issues on zero temperature holographic superfluids. First, inspired by our numerical evidence for the equality between the superfluid density and particle density, we provide an elegant analytic proof for this equality by a boost trick. Second, using not only the frequency domain analysis but also the time domain analysis from numerical relativity, we identify the hydrodynamic normal modes and calculate out the sound speed, which is shown to increase with the chemical potential and saturate to the value predicted by the conformal field theory in the large chemical potential limit. Third, the generic non-thermalization is demonstrated by the fully nonlinear time evolution from a non-equilibrium state for our zero temperature holographic superfluid. Furthermore, a conserved Noether charge is proposed in support of this behavior.

Coulomb crystals in neutron star crust

NASA Astrophysics Data System (ADS)

Baiko, D. A.

2014-03-01

It is well known that neutron star crust in a wide range of mass densities and temperatures is in a crystal state. At a given density, the crystal is made of fully ionized atomic nuclei of a single species immersed in a nearly incompressible (i.e., constant and uniform) charge compensating background of electrons. This model is known as the Coulomb crystal model. In this talk we analyze thermodynamic and elastic properties of the Coulomb crystals and discuss various deviations from the ideal model. In particular, we study the Coulomb crystal behavior in the presence of a strong magnetic field, consider the effect of the electron gas polarizability, outline the main properties of binary Coulomb crystals, and touch the subject of quasi-free neutrons permeating the Coulomb crystal of ions in deeper layers of neutron star crust.

Dispersion relations for $$\\eta '\\rightarrow \\eta \\pi \\pi $$

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

Isken, Tobias; Kubis, Bastian; Schneider, Sebastian P.

Here, we present a dispersive analysis of the decay amplitude for η' → ηππ that is based on the fundamental principles of analyticity and unitarity. In this framework, final-state interactions are fully taken into account. Our dispersive representation relies only on input for the ππ and πη scattering phase shifts. Isospin symmetry allows us to describe both the charged and neutral decay channel in terms of the same function. The dispersion relation contains subtraction constants that cannot be fixed by unitarity.We determine these parameters by a fit to Dalitz-plot data from the VES and BES-III experiments. We study the predictionmore » of a low-energy theorem and compare the dispersive fit to variants of chiral perturbation theory.« less

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

Zhang, Jingjing; Yang, Zheng; Shkrob, Ilya A.

1,4-Dimethoxybenzene derivatives are materials of choice for use as catholytes in nonaqueous redox flow batteries, as they exhibit high open-circuit potentials and excellent electrochemical reversibility. However, chemical stability of these materials in their oxidized form needs to be improved. Disubstitution in the arene ring is used to suppress parasitic reactions of their radical cations, but this does not fully prevent ring-addition reactions. By incorporating bicyclic substitutions and ether chains into the dialkoxybenzenes, a novel catholyte molecule, 9,10-bis(2-methoxyethoxy)-1,2,3,4,5,6,7,8-octahydro-1,4:5,8-dimethanenoanthracene (BODMA), is obtained and exhibits greater solubility and superior chemical stability in the charged state. As a result, a hybrid flow cell containingmore » BODMA is operated for 150 charge–discharge cycles with minimal loss of capacity.« less

Theoretical Study on Structural Stability of Fully Filled p-Type Skutterudites RETM4Sb12 ( RE = Rare Earth; TM = Fe, Ru)

NASA Astrophysics Data System (ADS)

Chen, Zhuo; Yang, Jiong; Liu, Ruiheng; Xi, Lili; Zhang, Wenqing; Yang, Jihui

2013-08-01

The structural stability of filled p-type skutterudites RETM4Sb12 ( RE = rare earth; TM = Fe, Ru) was studied via ab initio calculations. Most of the RE metals (La-Ho and Yb) could be filled into the cages (voids) of Fe4Sb12 to form stable filled skutterudites. However, only a few RE metals (La-Nd and Eu) could be stably filled into the cage of Ru4Sb12-based skutterudites. Systematic analysis of bonding energy showed that the structural stability could be attributed to ionic radius and effective charge state differences of the RE fillers. Resonant rattling frequencies of the fillers in both Fe4Sb12- and Ru4Sb12-based skutterudites were also studied.

In-SITU Raman Spectroscopy of Single Microparticle Li-Intercalation Electrodes

NASA Technical Reports Server (NTRS)

Dokko, Kaoru; Shi, Qing-Fang; Stefan, Ionel C.; Scherson, Daniel A.

2003-01-01

Modifications in the vibrational properties of a single microparticle of LiMn2O4 induced by extraction and subsequent injection of Li(+) into the lattice have been monitored in situ via simultaneous acquisition of Raman scattering spectra and cyclic voltammetry data in 1M LiC1O4 solutions in ethylene carbonate (EC):diethyl carbonate (DEC) mixtures (1:1 by volume). Statistical analyses of the spectra in the range 15 < SOD < 45%, where SOD represents the state of discharge (in percent) of the nominally fully charged material, i.e. lambda-MnO2, were found to be consistent with the coexistence of two distinct phases of lithiated metal oxide in agreement with information derived from in situ X-ray diffraction (XRD) measurements involving more conventional battery-type electrodes.

Dispersion relations for $$\\eta '\\rightarrow \\eta \\pi \\pi $$

DOE PAGES

Isken, Tobias; Kubis, Bastian; Schneider, Sebastian P.; ...

2017-07-21

Here, we present a dispersive analysis of the decay amplitude for η' → ηππ that is based on the fundamental principles of analyticity and unitarity. In this framework, final-state interactions are fully taken into account. Our dispersive representation relies only on input for the ππ and πη scattering phase shifts. Isospin symmetry allows us to describe both the charged and neutral decay channel in terms of the same function. The dispersion relation contains subtraction constants that cannot be fixed by unitarity.We determine these parameters by a fit to Dalitz-plot data from the VES and BES-III experiments. We study the predictionmore » of a low-energy theorem and compare the dispersive fit to variants of chiral perturbation theory.« less

Electrokinetic Supercapacitor for Simultaneous Harvesting and Storage of Mechanical Energy.

PubMed

Yang, Peihua; Qu, Xiaopeng; Liu, Kang; Duan, Jiangjiang; Li, Jia; Chen, Qian; Xue, Guobin; Xie, Wenke; Xu, Zhimou; Zhou, Jun

2018-03-07

Energy harvesting and storage are two distinct processes that are generally achieved using two separated parts based on different physical and chemical principles. Here we report a self-charging electrokinetic supercapacitor that directly couples the energy harvesting and storage processes into one device. The device consists of two identical carbon nanotube/titanium electrodes, separated by a piece of anodic aluminum oxide nanochannels membrane. Pressure-driven electrolyte flow through the nanochannels generates streaming potential, which can be used to charge the capacitive electrodes, accomplishing simultaneous energy generation and storage. The device stores electric charge density of 0.4 mC cm -2 after fully charging under pressure of 2.5 bar. This work may offer a train of thought for the development of a new type of energy unit for self-powered systems.

Universal bounds on charged states in 2d CFT and 3d gravity

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

Benjamin, Nathan; Dyer, Ethan; Fitzpatrick, A. Liam

2016-08-04

We derive an explicit bound on the dimension of the lightest charged state in two dimensional conformal field theories with a global abelian symmetry. We find that the bound scales with c and provide examples that parametrically saturate this bound. We also prove that any such theory must contain a state with charge-to-mass ratio above a minimal lower bound. As a result, we comment on the implications for charged states in three dimensional theories of gravity.

Study of B̄→X ulν̄ decays in BB̄ events tagged by a fully reconstructed B-meson decay and determination of |V ub|

DOE PAGES

Lees, J. P.; Poireau, V.; Tisserand, V.; ...

2012-08-07

We report measurements of partial branching fractions for inclusive charmless semileptonic B decays B¯¯¯→X ulν¯ and the determination of the Cabibbo–Kobayashi–Maskawa (CKM) matrix element |V ub|. The analysis is based on a sample of 467×10⁶ Υ(4S)→BB¯¯¯ decays recorded with the BABAR detector at the PEP-II e⁺e⁻ storage rings. We select events in which the decay of one of the B mesons is fully reconstructed and an electron or a muon signals the semileptonic decay of the other B meson. We measure partial branching fractions ΔB in several restricted regions of phase space and determine the CKM element |V ub| basedmore » on different QCD predictions. For decays with a charged lepton momentum p * l>1.0 GeV in the B meson rest frame, we obtain ΔB=(1.80±0.13stat±0.15sys±0.02theo)×10⁻³ from a fit to the two-dimensional M X-q² distribution. Here, M X refers to the invariant mass of the final state hadron X and q² is the invariant mass squared of the charged lepton and neutrino. From this measurement we extract |V ub|=(4.33±0.24 exp±0.15 theo)×10⁻³ as the arithmetic average of four results obtained from four different QCD predictions of the partial rate. We separately determine partial branching fractions for B¯¯¯0 and B⁻ decays and derive a limit on the isospin breaking in B¯¯¯→X ulν¯ decays.« less

Three-Dimensional Simulations of Electron Beams Focused by Periodic Permanent Magnets

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1999-01-01

A fully three-dimensional (3D) model of an electron beam focused by a periodic permanent magnet (PPM) stack has been developed. First, the simulation code MAFIA was used to model a PPM stack using the magnetostatic solver. The exact geometry of the magnetic focusing structure was modeled; thus, no approximations were made regarding the off-axis fields. The fields from the static solver were loaded into the 3D particle-in-cell (PIC) solver of MAFIA where fully 3D behavior of the beam was simulated in the magnetic focusing field. The PIC solver computes the time-integration of electromagnetic fields simultaneously with the time integration of the equations of motion of charged particles that move under the influence of those fields. Fields caused by those moving charges are also taken into account; thus, effects like space charge and magnetic forces between particles are fully simulated. The electron beam is simulated by a number of macro-particles. These macro-particles represent a given charge Q amounting to that of several million electrons in order to conserve computational time and memory. Particle motion is unrestricted, so particle trajectories can cross paths and move in three dimensions under the influence of 3D electric and magnetic fields. Correspondingly, there is no limit on the initial current density distribution of the electron beam, nor its density distribution at any time during the simulation. Simulation results including beam current density, percent ripple and percent transmission will be presented, and the effects current, magnetic focusing strength and thermal velocities have on beam behavior will be demonstrated using 3D movies showing the evolution of beam characteristics in time and space. Unlike typical beam optics models, this 3D model allows simulation of asymmetric designs such as non- circularly symmetric electrostatic or magnetic focusing as well as the inclusion of input/output couplers.

Ductile Tearing of Thin Aluminum Plates Under Blast Loading. Predictions with Fully Coupled Models and Biaxial Material Response Characterization

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

Corona, Edmundo; Gullerud, Arne S.; Haulenbeek, Kimberly K.

2015-06-01

The work presented in this report concerns the response and failure of thin 2024- T3 aluminum alloy circular plates to a blast load produced by the detonation of a nearby spherical charge. The plates were fully clamped around the circumference and the explosive charge was located centrally with respect to the plate. The principal objective was to conduct a numerical model validation study by comparing the results of predictions to experimental measurements of plate deformation and failure for charges with masses in the vicinity of the threshold between no tearing and tearing of the plates. Stereo digital image correlation datamore » was acquired for all tests to measure the deflection and strains in the plates. The size of the virtual strain gage in the measurements, however, was relatively large, so the strain measurements have to be interpreted accordingly as lower bounds of the actual strains in the plate and of the severity of the strain gradients. A fully coupled interaction model between the blast and the deflection of the structure was considered. The results of the validation exercise indicated that the model predicted the deflection of the plates reasonably accurately as well as the distribution of strain on the plate. The estimation of the threshold charge based on a critical value of equivalent plastic strain measured in a bulge test, however, was not accurate. This in spite of efforts to determine the failure strain of the aluminum sheet under biaxial stress conditions. Further work is needed to be able to predict plate tearing with some degree of confidence. Given the current technology, at least one test under the actual blast conditions where the plate tears is needed to calibrate the value of equivalent plastic strain when failure occurs in the numerical model. Once that has been determined, the question of the explosive mass value at the threshold could be addressed with more confidence.« less

Charge Separation and Exciton Dynamics at Polymer/ZnO Interface from First-Principles Simulations.

PubMed

Wu, Guangfen; Li, Zi; Zhang, Xu; Lu, Gang

2014-08-07

Charge separation and exciton dynamics play a crucial role in determining the performance of excitonic photovoltaics. Using time-dependent density functional theory with a range-separated exchange-correlation functional as well as nonadiabatic ab initio molecular dynamics, we have studied the formation and dynamics of charge-transfer (CT) excitons at polymer/ZnO interface. The interfacial atomic structure, exciton density of states and conversions between exciton species are examined from first-principles. The exciton dynamics exhibits both adiabatic and nonadiabatic characters. While the adiabatic transitions are facilitated by C═C vibrations along the polymer (P3HT) backbone, the nonadiabatic transitions are realized by exciton hopping between the excited states. We find that the localized ZnO surface states lead to localized low-energy CT states and poor charge separation. In contrast, the surface states of crystalline C60 are indistinguishable from the bulk states, resulting in delocalized CT states and efficient charge separation in polymer/fullerene (P3HT/PCBM) heterojunctions. The hot CT states are found to cool down in an ultrafast time scale and may not play a major role in charge separation of P3HT/ZnO. Finally we suggest that the dimensions of nanostructured acceptors can be tuned to obtain both efficient charge separation and high open circuit voltages.

Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

PubMed Central

Wang, Xun-Li; An, Ke; Cai, Lu; Feng, Zhili; Nagler, Stephen E.; Daniel, Claus; Rhodes, Kevin J.; Stoica, Alexandru D.; Skorpenske, Harley D.; Liang, Chengdu; Zhang, Wei; Kim, Joon; Qi, Yue; Harris, Stephen J.

2012-01-01

We report an in-situ neutron diffraction study of a large format pouch battery cell. The succession of Li-Graphite intercalation phases was fully captured under an 1C charge-discharge condition (i.e., charge to full capacity in 1 hour). However, the lithiation and dilithiation pathways are distinctively different and, unlike in slowing charging experiments with which the Li-Graphite phase diagram was established, no LiC24 phase was found during charge at 1C rate. Approximately 75 mol. % of the graphite converts to LiC6 at full charge, and a lattice dilation as large as 4% was observed during a charge-discharge cycle. Our work demonstrates the potential of in-situ, time and spatially resolved neutron diffraction study of the dynamic chemical and structural changes in “real-world” batteries under realistic cycling conditions, which should provide microscopic insights on degradation and the important role of diffusion kinetics in energy storage materials. PMID:23087812

Transverse-momentum and pseudorapidity distributions of charged hadrons in pp collisions at square root of s = 7 TeV.

PubMed

Khachatryan, V; Sirunyan, A M; Tumasyan, A; Adam, W; Bergauer, T; Dragicevic, M; Erö, J; Fabjan, C; Friedl, M; Frühwirth, R; Ghete, V M; Hammer, J; Hänsel, S; Hoch, M; Hörmann, N; Hrubec, J; Jeitler, M; Kasieczka, G; Kiesenhofer, W; Krammer, M; Liko, D; Mikulec, I; Pernicka, M; Rohringer, H; Schöfbeck, R; Strauss, J; Taurok, A; Teischinger, F; Waltenberger, W; Walzel, G; Widl, E; Wulz, C-E; Mossolov, V; Shumeiko, N; Suarez Gonzalez, J; Benucci, L; Ceard, L; De Wolf, E A; Hashemi, M; Janssen, X; Maes, T; Mucibello, L; Ochesanu, S; Roland, B; Rougny, R; Selvaggi, M; Van Haevermaet, H; Van Mechelen, P; Van Remortel, N; Adler, V; Beauceron, S; Blyweert, S; D'Hondt, J; Devroede, O; Kalogeropoulos, A; Maes, J; Maes, M; Tavernier, S; Van Doninck, W; Van Mulders, P; Villella, I; Chabert, E C; Charaf, O; Clerbaux, B; De Lentdecker, G; Dero, V; Gay, A P R; Hammad, G H; Marage, P E; Vander Velde, C; Vanlaer, P; Wickens, J; Costantini, S; Grunewald, M; Klein, B; Marinov, A; Ryckbosch, D; Thyssen, F; Tytgat, M; Vanelderen, L; Verwilligen, P; Walsh, S; Zaganidis, N; Basegmez, S; Bruno, G; Caudron, J; De Favereau De Jeneret, J; Delaere, C; Demin, P; Favart, D; Giammanco, A; Grégoire, G; Hollar, J; Lemaitre, V; Militaru, O; Ovyn, S; Pagano, D; Pin, A; Piotrzkowski, K; Quertenmont, L; Schul, N; Beliy, N; Caebergs, T; Daubie, E; Alves, G A; Pol, M E; Souza, M H G; Carvalho, W; Da Costa, E M; De Jesus Damiao, D; De Oliveira Martins, C; Fonseca De Souza, S; Mundim, L; Oguri, V; Santoro, A; Silva Do Amaral, S M; Sznajder, A; Torres Da Silva De Araujo, F; Dias, F A; Dias, M A F; Fernandez Perez Tomei, T R; Gregores, E M; Marinho, F; Novaes, S F; Padula, Sandra S; Darmenov, N; Dimitrov, L; Genchev, V; Iaydjiev, P; Piperov, S; Stoykova, S; Sultanov, G; Trayanov, R; Vankov, I; Dyulendarova, M; Hadjiiska, R; Kozhuharov, V; Litov, L; Marinova, E; Mateev, M; Pavlov, B; Petkov, P; Bian, J G; Chen, G M; Chen, H S; Jiang, C H; Liang, D; Liang, S; Wang, J; Wang, J; Wang, X; Wang, Z; Yang, M; Zang, J; Zhang, Z; Ban, Y; Guo, S; Hu, Z; Mao, Y; Qian, S J; Teng, H; Zhu, B; Cabrera, A; Carrillo Montoya, C A; Gomez Moreno, B; Ocampo Rios, A A; Osorio Oliveros, A F; Sanabria, J C; Godinovic, N; Lelas, D; Lelas, K; Plestina, R; Polic, D; Puljak, I; Antunovic, Z; Dzelalija, M; Brigljevic, V; Duric, S; Kadija, K; Morovic, S; Attikis, A; Fereos, R; Galanti, M; Mousa, J; Nicolaou, C; Papadakis, A; Ptochos, F; Razis, P A; Rykaczewski, H; Tsiakkouri, D; Zinonos, Z; Mahmoud, M; Hektor, A; Kadastik, M; Kannike, K; Müntel, M; Raidal, M; Rebane, L; Azzolini, V; Eerola, P; Czellar, S; Härkönen, J; Heikkinen, A; Karimäki, V; Kinnunen, R; Klem, J; Kortelainen, M J; Lampén, T; Lassila-Perini, K; Lehti, S; Lindén, T; Luukka, P; Mäenpää, T; Tuominen, E; Tuominiemi, J; Tuovinen, E; Ungaro, D; Wendland, L; Banzuzi, K; Korpela, A; Tuuva, T; Sillou, D; Besancon, M; Dejardin, M; Denegri, D; Descamps, J; Fabbro, B; Faure, J L; Ferri, F; Ganjour, S; Gentit, F X; Givernaud, A; Gras, P; Hamel de Monchenault, G; Jarry, P; 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Bell, K W; Belyaev, A; Brew, C; Brown, R M; Camanzi, B; Cockerill, D J A; Coughlan, J A; Harder, K; Harper, S; Kennedy, B W; Olaiya, E; Radburn-Smith, B C; Shepherd-Themistocleous, C H; Tomalin, I R; Womersley, W J; Worm, S D; Bainbridge, R; Ball, G; Ballin, J; Beuselinck, R; Buchmuller, O; Colling, D; Cripps, N; Cutajar, M; Davies, G; Della Negra, M; Foudas, C; Fulcher, J; Futyan, D; Guneratne Bryer, A; Hall, G; Hatherell, Z; Hays, J; Iles, G; Karapostoli, G; Lyons, L; Magnan, A-M; Marrouche, J; Nandi, R; Nash, J; Nikitenko, A; Papageorgiou, A; Pesaresi, M; Petridis, K; Pioppi, M; Raymond, D M; Rompotis, N; Rose, A; Ryan, M J; Seez, C; Sharp, P; Sparrow, A; Stoye, M; Tapper, A; Tourneur, S; Vazquez Acosta, M; Virdee, T; Wakefield, S; Wardrope, D; Whyntie, T; Barrett, M; Chadwick, M; Cole, J E; Hobson, P R; Khan, A; Kyberd, P; Leslie, D; Reid, I D; Teodorescu, L; Bose, T; Clough, A; Heister, A; St John, J; Lawson, P; Lazic, D; Rohlf, J; Sulak, L; Andrea, J; Avetisyan, A; Bhattacharya, S; Chou, J P; Cutts, D; Esen, S; Heintz, U; Jabeen, S; Kukartsev, G; Landsberg, G; Narain, M; Nguyen, D; Speer, T; Tsang, K V; Borgia, M A; Breedon, R; Calderon De La Barca Sanchez, M; Cebra, D; Chertok, M; Conway, J; Cox, P T; Dolen, J; Erbacher, R; Friis, E; Ko, W; Kopecky, A; Lander, R; Liu, H; Maruyama, S; Miceli, T; Nikolic, M; Pellett, D; Robles, J; Schwarz, T; Searle, M; Smith, J; Squires, M; Tripathi, M; Vasquez Sierra, R; Veelken, C; Andreev, V; Arisaka, K; Cline, D; Cousins, R; Deisher, A; Erhan, S; Farrell, C; Felcini, M; Hauser, J; Ignatenko, M; Jarvis, C; Plager, C; Rakness, G; Schlein, P; Tucker, J; Valuev, V; Wallny, R; Babb, J; Clare, R; Ellison, J; Gary, J W; Hanson, G; Jeng, G Y; Kao, S C; Liu, F; Liu, H; Luthra, A; Nguyen, H; Pasztor, G; Satpathy, A; Shen, B C; Stringer, R; Sturdy, J; Sumowidagdo, S; Wilken, R; Wimpenny, S; Andrews, W; Branson, J G; Dusinberre, E; Evans, D; Golf, F; Holzner, A; Kelley, R; Lebourgeois, M; Letts, J; Mangano, B; Muelmenstaedt, J; Padhi, S; Palmer, C; Petrucciani, G; Pi, H; Pieri, M; Ranieri, R; Sani, M; Sharma, V; Simon, S; Tu, Y; Vartak, A; Würthwein, F; Yagil, A; Barge, D; Blume, M; Campagnari, C; D'Alfonso, M; Danielson, T; Garberson, J; Incandela, J; Justus, C; Kalavase, P; Koay, S A; Kovalskyi, D; Krutelyov, V; Lamb, J; Lowette, S; Pavlunin, V; Rebassoo, F; Ribnik, J; Richman, J; Rossin, R; Stuart, D; To, W; Vlimant, J R; Witherell, M; Bornheim, A; Bunn, J; Gataullin, M; Kcira, D; Litvine, V; Ma, Y; Newman, H B; Rogan, C; Shin, K; Timciuc, V; Veverka, J; Wilkinson, R; Yang, Y; Zhu, R Y; Akgun, B; Carroll, R; Ferguson, T; Jang, D W; Jun, S Y; Paulini, M; Russ, J; Terentyev, N; Vogel, H; Vorobiev, I; Cumalat, J P; Dinardo, M E; Drell, B R; Ford, W T; Heyburn, B; Luiggi Lopez, E; Nauenberg, U; Smith, J G; Stenson, K; Ulmer, K A; Wagner, S R; Zang, S L; Agostino, L; Alexander, J; Blekman, F; Chatterjee, A; Das, S; Eggert, N; Fields, L J; Gibbons, L K; Heltsley, B; Hopkins, W; Khukhunaishvili, A; Kreis, B; Kuznetsov, V; Kaufman, G Nicolas; Patterson, J R; Puigh, D; Riley, D; Ryd, A; Shi, X; Sun, W; Teo, W D; Thom, J; Thompson, J; Vaughan, J; Weng, Y; Wittich, P; Biselli, A; Cirino, G; Winn, D; Abdullin, S; Albrow, M; Anderson, J; Apollinari, G; Atac, M; Bakken, J A; Banerjee, S; Bauerdick, L A T; Beretvas, A; Berryhill, J; Bhat, P C; Bloch, I; Borcherding, F; Burkett, K; Butler, J N; Chetluru, V; Cheung, H W K; Chlebana, F; Cihangir, S; Demarteau, M; Eartly, D P; Elvira, V D; Fisk, I; Freeman, J; Gao, Y; Gottschalk, E; Green, D; Gutsche, O; Hahn, A; Hanlon, J; Harris, R M; James, E; Jensen, H; Johnson, M; Joshi, U; Khatiwada, R; Kilminster, B; Klima, B; Kousouris, K; Kunori, S; Kwan, S; Limon, P; Lipton, R; Lykken, J; Maeshima, K; Marraffino, J M; Mason, D; McBride, P; McCauley, T; Miao, T; Mishra, K; Mrenna, S; Musienko, Y; Newman-Holmes, C; O'Dell, V; Popescu, S; Pordes, R; Prokofyev, O; Saoulidou, N; Sexton-Kennedy, E; Sharma, S; Smith, R P; Soha, A; Spalding, W J; Spiegel, L; Tan, P; Taylor, L; Tkaczyk, S; Uplegger, L; Vaandering, E W; Vidal, R; Whitmore, J; Wu, W; Yumiceva, F; Yun, J C; Acosta, D; Avery, P; Bourilkov, D; Chen, M; Di Giovanni, G P; Dobur, D; Drozdetskiy, A; Field, R D; Fu, Y; Furic, I K; Gartner, J; Kim, B; Klimenko, S; Konigsberg, J; Korytov, A; Kotov, K; Kropivnitskaya, A; Kypreos, T; Matchev, K; Mitselmakher, G; Pakhotin, Y; Piedra Gomez, J; Prescott, C; Remington, R; Schmitt, M; Scurlock, B; Sellers, P; Wang, D; Yelton, J; Zakaria, M; Ceron, C; Gaultney, V; Kramer, L; Lebolo, L M; Linn, S; Markowitz, P; Martinez, G; Mesa, D; Rodriguez, J L; Adams, T; Askew, A; Chen, J; Diamond, B; Gleyzer, S V; Haas, J; Hagopian, S; Hagopian, V; Jenkins, M; Johnson, K F; Prosper, H; Sekmen, S; Veeraraghavan, V; Baarmand, M M; Guragain, S; Hohlmann, M; Kalakhety, H; Mermerkaya, H; Ralich, R; Vodopiyanov, I; Adams, M R; Anghel, I M; Apanasevich, L; Bazterra, V E; Betts, R R; Callner, J; Cavanaugh, R; Dragoiu, C; Garcia-Solis, E J; Gerber, C E; Hofman, D J; Khalatian, S; Lacroix, F; Shabalina, E; Smoron, A; Strom, D; Varelas, N; Akgun, U; Albayrak, E A; Bilki, B; Cankocak, K; Clarida, W; Duru, F; Lae, C K; McCliment, E; Merlo, J-P; Mestvirishvili, A; Moeller, A; Nachtman, J; Newsom, C R; Norbeck, E; Olson, J; Onel, Y; Ozok, F; Sen, S; Wetzel, J; Yetkin, T; Yi, K; Barnett, B A; Blumenfeld, B; Bonato, A; Eskew, C; Fehling, D; Giurgiu, G; Gritsan, A V; Guo, Z J; Hu, G; Maksimovic, P; Rappoccio, S; Swartz, M; Tran, N V; Whitbeck, A; Baringer, P; Bean, A; Benelli, G; Grachov, O; Murray, M; Radicci, V; Sanders, S; Wood, J S; Zhukova, V; Bandurin, D; Bolton, T; Chakaberia, I; Ivanov, A; Kaadze, K; Maravin, Y; Shrestha, S; Svintradze, I; Wan, Z; Gronberg, J; Lange, D; Wright, D; Baden, D; Boutemeur, M; Eno, S C; Ferencek, D; Hadley, N J; Kellogg, R G; Kirn, M; Mignerey, A; Rossato, K; Rumerio, P; Santanastasio, F; Skuja, A; Temple, J; Tonjes, M B; Tonwar, S C; Twedt, E; Alver, B; Bauer, G; Bendavid, J; Busza, W; Butz, E; Cali, I A; Chan, M; D'Enterria, D; Everaerts, P; Gomez Ceballos, G; Goncharov, M; Hahn, K A; Harris, P; Kim, Y; Klute, M; Lee, Y-J; Li, W; Loizides, C; Luckey, P D; Ma, T; Nahn, S; Paus, C; Roland, C; Roland, G; Rudolph, M; Stephans, G S F; Sumorok, K; Sung, K; Wenger, E A; Wyslouch, B; Xie, S; Yilmaz, Y; Yoon, A S; Zanetti, M; Cole, P; Cooper, S I; Cushman, P; Dahmes, B; De Benedetti, A; Dudero, P R; Franzoni, G; Haupt, J; Klapoetke, K; Kubota, Y; Mans, J; Petyt, D; Rekovic, V; Rusack, R; Sasseville, M; Singovsky, A; Cremaldi, L M; Godang, R; Kroeger, R; Perera, L; Rahmat, R; Sanders, D A; Sonnek, P; Summers, D; Bloom, K; Bose, S; Butt, J; Claes, D R; Dominguez, A; Eads, M; Keller, J; Kelly, T; Kravchenko, I; Lazo-Flores, J; Lundstedt, C; Malbouisson, H; Malik, S; Snow, G R; Baur, U; Iashvili, I; Kharchilava, A; Kumar, A; Smith, K; Strang, M; Zennamo, J; Alverson, G; Barberis, E; Baumgartel, D; Boeriu, O; Reucroft, S; Swain, J; Wood, D; Zhang, J; Anastassov, A; Kubik, A; Ofierzynski, R A; Pozdnyakov, A; Schmitt, M; Stoynev, S; Velasco, M; Won, S; Antonelli, L; Berry, D; Hildreth, M; Jessop, C; Karmgard, D J; Kolb, J; Kolberg, T; Lannon, K; Lynch, S; Marinelli, N; Morse, D M; Ruchti, R; Slaunwhite, J; Valls, N; Warchol, J; Wayne, M; Ziegler, J; Bylsma, B; Durkin, L S; Gu, J; Killewald, P; Ling, T Y; Williams, G; Adam, N; Berry, E; Elmer, P; Gerbaudo, D; Halyo, V; Hunt, A; Jones, J; Laird, E; Lopes Pegna, D; Marlow, D; Medvedeva, T; Mooney, M; Olsen, J; Piroué, P; Stickland, D; Tully, C; Werner, J S; Zuranski, A; Acosta, J G; Huang, X T; Lopez, A; Mendez, H; Oliveros, S; Ramirez Vargas, J E; Zatzerklyaniy, A; Alagoz, E; Barnes, V E; Bolla, G; Borrello, L; Bortoletto, D; Everett, A; Garfinkel, A F; Gecse, Z; Gutay, L; Jones, M; Koybasi, O; Laasanen, A T; Leonardo, N; Liu, C; Maroussov, V; Merkel, P; Miller, D H; Neumeister, N; Potamianos, K; Shipsey, I; Silvers, D; Yoo, H D; Zablocki, J; Zheng, Y; Jindal, P; Parashar, N; Cuplov, V; Ecklund, K M; Geurts, F J M; Liu, J H; Morales, J; Padley, B P; Redjimi, R; Roberts, J; Betchart, B; Bodek, A; Chung, Y S; de Barbaro, P; Demina, R; Flacher, H; Garcia-Bellido, A; Gotra, Y; Han, J; Harel, A; Miner, D C; Orbaker, D; Petrillo, G; Vishnevskiy, D; Zielinski, M; Bhatti, A; Demortier, L; Goulianos, K; Hatakeyama, K; Lungu, G; Mesropian, C; Yan, M; Atramentov, O; Gershtein, Y; Gray, R; Halkiadakis, E; Hidas, D; Hits, D; Lath, A; Rose, K; Schnetzer, S; Somalwar, S; Stone, R; Thomas, S; Cerizza, G; Hollingsworth, M; Spanier, S; Yang, Z C; York, A; Asaadi, J; Eusebi, R; Gilmore, J; Gurrola, A; Kamon, T; Khotilovich, V; Montalvo, R; Nguyen, C N; Pivarski, J; Safonov, A; Sengupta, S; Toback, D; Weinberger, M; Akchurin, N; Bardak, C; Damgov, J; Jeong, C; Kovitanggoon, K; Lee, S W; Mane, P; Roh, Y; Sill, A; Volobouev, I; Wigmans, R; Yazgan, E; Appelt, E; Brownson, E; Engh, D; Florez, C; Gabella, W; Johns, W; Kurt, P; Maguire, C; Melo, A; Sheldon, P; Velkovska, J; Arenton, M W; Balazs, M; Buehler, M; Conetti, S; Cox, B; Hirosky, R; Ledovskoy, A; Neu, C; Yohay, R; Gollapinni, S; Gunthoti, K; Harr, R; Karchin, P E; Mattson, M; Milstène, C; Sakharov, A; Anderson, M; Bachtis, M; Bellinger, J N; Carlsmith, D; Dasu, S; Dutta, S; Efron, J; Gray, L; Grogg, K S; Grothe, M; Hall-Wilton, R; Herndon, M; Klabbers, P; Klukas, J; Lanaro, A; Lazaridis, C; Leonard, J; Lomidze, D; Loveless, R; Mohapatra, A; Polese, G; Reeder, D; Savin, A; Smith, W H; Swanson, J; Weinberg, M

2010-07-09

Charged-hadron transverse-momentum and pseudorapidity distributions in proton-proton collisions at square root of s = 7  TeV are measured with the inner tracking system of the CMS detector at the LHC. The charged-hadron yield is obtained by counting the number of reconstructed hits, hit pairs, and fully reconstructed charged-particle tracks. The combination of the three methods gives a charged-particle multiplicity per unit of pseudorapidity dN(ch)/dη|(|η|<0.5) = 5.78 ± 0.01(stat) ± 0.23(syst) for non-single-diffractive events, higher than predicted by commonly used models. The relative increase in charged-particle multiplicity from square root of s = 0.9 to 7 TeV is [66.1 ± 1.0(stat) ± 4.2(syst)]%. The mean transverse momentum is measured to be 0.545 ± 0.005(stat) ± 0.015(syst)  GeV/c. The results are compared with similar measurements at lower energies.

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

Measurement of the equilibrium charge state distributions of Ni, Co, and Cu beams in Mo at 2 MeV/u: Review and evaluation of the relevant semi-empirical models

NASA Astrophysics Data System (ADS)

Gastis, P.; Perdikakis, G.; Robertson, D.; Almus, R.; Anderson, T.; Bauder, W.; Collon, P.; Lu, W.; Ostdiek, K.; Skulski, M.

2016-04-01

Equilibrium charge state distributions of stable 60Ni, 59Co, and 63Cu beams passing through a 1 μm thick Mo foil were measured at beam energies of 1.84 MeV/u, 2.09 MeV/u, and 2.11 MeV/u respectively. A 1-D position sensitive Parallel Grid Avalanche Counter detector (PGAC) was used at the exit of a spectrograph magnet, enabling us to measure the intensity of several charge states simultaneously. The number of charge states measured for each beam constituted more than 99% of the total equilibrium charge state distribution for that element. Currently, little experimental data exists for equilibrium charge state distributions for heavy ions with 19 ≲Zp,Zt ≲ 54 (Zp and Zt, are the projectile's and target's atomic numbers respectively). Hence the success of the semi-empirical models in predicting typical characteristics of equilibrium CSDs (mean charge states and distribution widths), has not been thoroughly tested at the energy region of interest. A number of semi-empirical models from the literature were evaluated in this study, regarding their ability to reproduce the characteristics of the measured charge state distributions. The evaluated models were selected from the literature based on whether they are suitable for the given range of atomic numbers and on their frequent use by the nuclear physics community. Finally, an attempt was made to combine model predictions for the mean charge state, the distribution width and the distribution shape, to come up with a more reliable model. We discuss this new ;combinatorial; prescription and compare its results with our experimental data and with calculations using the other semi-empirical models studied in this work.

Steady State Load Characterization Fact Sheet: 2012 Chevy Volt

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

Scoffield, Don

2015-03-01

This fact sheet characterizes the steady state charging behavior of a 2012 Chevy Volt. Both level 1 charging (120 volt) and level 2 charging (208 volts) is investigated. This fact sheet contains plots of efficiency, power factor, and current harmonics as vehicle charging is curtailed. Prominent current harmonics are also displayed in a histogram for various charge rates.

Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations.

PubMed

Quevillon, Michael J; Whitmer, Jonathan K

2018-01-02

Ionic liquid crystals occupy an intriguing middle ground between room-temperature ionic liquids and mesostructured liquid crystals. Here, we examine a non-polarizable, fully atomistic model of the 1-alkyl-3-methylimidazolium nitrate family using molecular dynamics in the constant pressure-constant temperature ensemble. These materials exhibit a distinct "smectic" liquid phase, characterized by layers formed by the molecules, which separate the ionic and aliphatic moieties. In particular, we discuss the implications this layering may have for electrolyte applications.

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

Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study.

PubMed

Jones, Matthew L; Dyer, Reesha; Clarke, Nigel; Groves, Chris

2014-10-14

Kinetic Monte Carlo simulations are used to examine the effect of high-energy, 'hot' delocalised charge transfer (HCT) states for donor:acceptor and mixed:aggregate blends, the latter relating to polymer:fullerene photovoltaic devices. Increased fullerene aggregation is shown to enhance charge generation and short-circuit device current - largely due to the increased production of HCT states at the aggregate interface. However, the instances where HCT states are predicted to give internal quantum efficiencies in the region of 50% do not correspond to HCT delocalisation or electron mobility measured in experiments. These data therefore suggest that HCT states are not the primary cause of high quantum efficiencies in some polymer:fullerene OPVs. Instead it is argued that HCT states are responsible for the fast charge generation seen in spectroscopy, but that regional variation in energy levels are the cause of long-term, efficient free-charge generation.

Iron charge states observed in the solar wind

NASA Technical Reports Server (NTRS)

Ipavich, F. M.; Galvin, A. B.; Gloeckler, G.; Hovestadt, D.; Klecker, B.; Scholer, M.

1983-01-01

Solar wind measurements from the ULECA sensor of the Max-Planck-Institut/University of Maryland experiment on ISEE-3 are reported. The low energy section of approx the ULECA sensor selects particles by their energy per charge (over the range 3.6 keV/Q to 30 keV/Q) and simultaneously measures their total energy with two low-noise solid state detectors. Solar wind Fe charge state measurements from three time periods of high speed solar wind occurring during a post-shock flow and a coronal hole-associated high speed stream are presented. Analysis of the post-shock flow solar wind indicates the charge state distributions for Fe were peaked at approx +16, indicative of an unusually high coronal temperature (3,000,000 K). In contrast, the Fe charge state distribution observed in a coronal hole-associated high speed stream peaks at approx -9, indicating a much lower coronal temperature (1,400,000 K). This constitutes the first reported measurements of iron charge states in a coronal hole-associated high speed stream.

Modulation of nitrogen vacancy charge state and fluorescence in nanodiamonds using electrochemical potential

PubMed Central

Karaveli, Sinan; Gaathon, Ophir; Wolcott, Abraham; Sakakibara, Reyu; Shemesh, Or A.; Peterka, Darcy S.; Boyden, Edward S.; Owen, Jonathan S.; Yuste, Rafael; Englund, Dirk

2016-01-01

The negatively charged nitrogen vacancy (NV−) center in diamond has attracted strong interest for a wide range of sensing and quantum information processing applications. To this end, recent work has focused on controlling the NV charge state, whose stability strongly depends on its electrostatic environment. Here, we demonstrate that the charge state and fluorescence dynamics of single NV centers in nanodiamonds with different surface terminations can be controlled by an externally applied potential difference in an electrochemical cell. The voltage dependence of the NV charge state can be used to stabilize the NV− state for spin-based sensing protocols and provides a method of charge state-dependent fluorescence sensing of electrochemical potentials. We detect clear NV fluorescence modulation for voltage changes down to 100 mV, with a single NV and down to 20 mV with multiple NV centers in a wide-field imaging mode. These results suggest that NV centers in nanodiamonds could enable parallel optical detection of biologically relevant electrochemical potentials. PMID:27035935

Modulation of nitrogen vacancy charge state and fluorescence in nanodiamonds using electrochemical potential.

PubMed

Karaveli, Sinan; Gaathon, Ophir; Wolcott, Abraham; Sakakibara, Reyu; Shemesh, Or A; Peterka, Darcy S; Boyden, Edward S; Owen, Jonathan S; Yuste, Rafael; Englund, Dirk

2016-04-12

The negatively charged nitrogen vacancy (NV(-)) center in diamond has attracted strong interest for a wide range of sensing and quantum information processing applications. To this end, recent work has focused on controlling the NV charge state, whose stability strongly depends on its electrostatic environment. Here, we demonstrate that the charge state and fluorescence dynamics of single NV centers in nanodiamonds with different surface terminations can be controlled by an externally applied potential difference in an electrochemical cell. The voltage dependence of the NV charge state can be used to stabilize the NV(-) state for spin-based sensing protocols and provides a method of charge state-dependent fluorescence sensing of electrochemical potentials. We detect clear NV fluorescence modulation for voltage changes down to 100 mV, with a single NV and down to 20 mV with multiple NV centers in a wide-field imaging mode. These results suggest that NV centers in nanodiamonds could enable parallel optical detection of biologically relevant electrochemical potentials.

Modulation of nitrogen vacancy charge state and fluorescence in nanodiamonds using electrochemical potential

NASA Astrophysics Data System (ADS)

Karaveli, Sinan; Gaathon, Ophir; Wolcott, Abraham; Sakakibara, Reyu; Shemesh, Or A.; Peterka, Darcy S.; Boyden, Edward S.; Owen, Jonathan S.; Yuste, Rafael; Englund, Dirk

2016-04-01

The negatively charged nitrogen vacancy (NV-) center in diamond has attracted strong interest for a wide range of sensing and quantum information processing applications. To this end, recent work has focused on controlling the NV charge state, whose stability strongly depends on its electrostatic environment. Here, we demonstrate that the charge state and fluorescence dynamics of single NV centers in nanodiamonds with different surface terminations can be controlled by an externally applied potential difference in an electrochemical cell. The voltage dependence of the NV charge state can be used to stabilize the NV- state for spin-based sensing protocols and provides a method of charge state-dependent fluorescence sensing of electrochemical potentials. We detect clear NV fluorescence modulation for voltage changes down to 100 mV, with a single NV and down to 20 mV with multiple NV centers in a wide-field imaging mode. These results suggest that NV centers in nanodiamonds could enable parallel optical detection of biologically relevant electrochemical potentials.

Possible mechanism to enhance spin-fluctuation-mediated superconductivity in two-dimensional organic conductor

NASA Astrophysics Data System (ADS)

Nonoyama, Yoshito; Maekawa, Yukiko; Kobayashi, Akito; Suzumura, Yoshikazu; Yamada, Jun-ichi

2008-10-01

Mechanisms of superconductivity in quasi-two-dimensional organic conductors have been investigated using an extended Hubbard model by using the transfer energies between BDA-TTP molecules for β-(BDA-TTP)2I3 based on the X-ray experiment data and the extended Hückel calculation. We obtain several mean-field solutions with charge orderings which may represent short-range orderings or low-energy fluctuations in the low-dimensional electronic system. In the pressure-temperature phase diagram, a charge ordered metal state almost degenerates with a normal metal state between an insulating phase with charge ordering and the normal metal phase. Using the random phase approximation (RPA) and the linearized gap equation, the transition temperature of the superconducting state is estimated for the charge-ordered metal state and the normal metal state. It is found that transition temperature of the superconductivity induced by spin fluctuations in the charge-ordered metal state is much higher than that of the normal metal state and that the superconductivity in the charge-ordered metal state is the gapless d-wave. This suggests that the short range charge ordering may also contribute to an enhancement of spin-fluctuation-mediated superconductivity. The difference in the superconducting states between β-(BDA-TTP)2I3 and β-(BDA-TTP)2SbF6 are briefly discussed.

Exceptionally Long-Lived Charge Separated State in Zeolitic Imidazolate Framework: Implication for Photocatalytic Applications

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

Pattengale, Brian; Yang, Sizhuo; Ludwig, John

2016-06-22

Zeolitic Imidazolate Frameworks (ZIFs) have emerged as a novel class of porous metal-organic frameworks (MOFs) for catalysis application because of their exceptional thermal and chemical stability. Inspired by the broad absorption of ZIF-67 in UV-visible-near IR region, we explored its excited state and charge separation dynamics, properties essential for photocatalytic applications, using optical (OTA) and X-ray transient absorption (XTA) spectroscopy. OTA results show that an exceptionally long-lived excited state is formed after photoexcitation. This long-lived excited state was confirmed to be the charge separated state with ligandto-metal charge transfer character using XTA. The surprisingly long-lived charge separated state, together withmore » its intrinsic hybrid nature, all point to its potential application in heterogeneous photocatalysis and energy conversion.« less

All-Optical Switching and Two-States Light-Controlled Coherent-Incoherent Random Lasing in a Thiophene-Based Donor-Acceptor System.

PubMed

Szukalski, Adam; Ayadi, Awatef; Haupa, Karolina; El-Ghayoury, Abdelkrim; Sahraoui, Bouchta; Mysliwiec, Jaroslaw

2018-03-30

We describe herein the synthesis and characterization of a thiophene-based donor-acceptor system, namely (E)-2-(4-nitrostyryl)-5-phenylthiophene (Th-pNO 2 ), which was prepared under Horner-Wadsworth-Emmons conditions. The UV/Vis absorption bands, including the intramolecular charge transfer (ICT) band, were fully assigned using DFT and TD-DFT computations. The results of both efficient third-order nonlinear optical properties and light-amplification phenomena are presented. Investigations of photoinduced birefringence (PIB) in optical Kerr effect (OKE) experiments showed a great potential for this particular compound as an efficient, fully reversible, and fast optical switch. Time constants for the observed trans-cis-trans molecular transitions are in the range of microseconds and give a competitive experimental result for the well-known and exploited azobenzene derivatives. Random lasing (RL) investigations confirmed that this organic system is potentially useful to achieve strong light enhancement, observed as a multimode lasing action. Both RL and OKE measurements indicate that this material is a representative of thiophene derivatives, which can be utilized to fabricate fast all-optical switches or random lasers (light amplifiers). © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Protonmotive force: development of electrostatic drivers for synthetic molecular motors.

PubMed

Crowley, James D; Steele, Ian M; Bosnich, Brice

2006-12-04

Ferrocene has been investigated as a platform for developing protonmotive electrostatic drivers for molecular motors. When two 3-pyridine groups are substituted to the (rapidly rotating) cyclopentadienyl (Cp) rings of ferrocene, one on each Cp, it is shown that the (Cp) eclipsed, pi-stacked rotameric conformation is preferred both in solution and in the solid state. Upon quaternization of both of the pyridines substituents, either by protonation or by alkylation, it is shown that the preferred rotameric conformation is one where the pyridinium groups are rotated away from the fully pi-stacked conformation. Electrostatic calculations indicate that the rotation is caused by the electrostatic repulsion between the charges. Consistently, when the pi-stacking energy is increased pi-stacked population increases, and conversely when the electrostatic repulsion is increased pi-stacked population is decreased. This work serves to provide an approximate estimate of the amount of torque that the electrostatically driven ferrocene platform can generate when incorporated into a molecular motor. The overall conclusion is that the electrostatic interaction energy between dicationic ferrocene dipyridyl systems is similar to the pi-stacking interaction energy and, consequently, at least tricationic systems are required to fully uncouple the pi-stacked pyridine substituents.

Charge injection and transport properties of an organic light-emitting diode

PubMed Central

Juhasz, Peter; Nevrela, Juraj; Micjan, Michal; Novota, Miroslav; Uhrik, Jan; Stuchlikova, Lubica; Jakabovic, Jan; Harmatha, Ladislav

2016-01-01

Summary The charge behavior of organic light emitting diode (OLED) is investigated by steady-state current–voltage technique and impedance spectroscopy at various temperatures to obtain activation energies of charge injection and transport processes. Good agreement of activation energies obtained by steady-state and frequency-domain was used to analyze their contributions to the charge injection and transport. We concluded that charge is injected into the OLED device mostly through the interfacial states at low voltage region, whereas the thermionic injection dominates in the high voltage region. This comparison of experimental techniques demonstrates their capabilities of identification of major bottleneck of charge injection and transport. PMID:26925351

Interactions between similar and dissimilar charged interfaces in the presence of multivalent anions.

PubMed

Moazzami-Gudarzi, Mohsen; Adam, Pavel; Smith, Alexander M; Trefalt, Gregor; Szilágyi, István; Maroni, Plinio; Borkovec, Michal

2018-04-04

Direct force measurements involving amidine latex (AL) and sulfate latex (SL) particles in aqueous solutions containing multivalent ferrocyanide anions are presented. These measurements feature three different pairs of particles, namely SL-SL, AL-SL, and AL-AL. The force profiles are quantitatively interpreted in terms of the theory by Derjaguin, Landau, Verwey, and Overbeek (DLVO) that is combined with a short-ranged exponential attraction. In monovalent salt solutions, the AL particles are positively charged, while the SL particles are negatively charged. In solutions containing ferrocyanide, the charge of the AL particles is reversed as the concentration is increased. The longer-ranged component of all force profiles is fully compatible with DLVO theory, provided effects of charge regulation are included. At shorter distances, an additional exponential attraction must be introduced, whereby the respective decay length is about 2 nm for the AL-AL pair, and below 1 nm for the SL-SL pair. This non-DLVO force is intermediate for the asymmetric AL-SL pair. These additional forces are probably related to charge fluctuations, patch-charged interactions, or hydrophobic forces.

Theoretical Studies on InGaAs/InAlAs SAGCM Avalanche Photodiodes

NASA Astrophysics Data System (ADS)

Cao, Siyu; Zhao, Yue; ur Rehman, Sajid; Feng, Shuai; Zuo, Yuhua; Li, Chuanbo; Zhang, Lichun; Cheng, Buwen; Wang, Qiming

2018-05-01

In this paper, we provide a detailed insight on InGaAs/InAlAs separate absorption, grading, charge, and multiplication avalanche photodiodes (SAGCM APDs) and a theoretical model of APDs is built. Through theoretical analysis and two-dimensional (2D) simulation, the influence of charge layer and tunneling effect on the APDs is fully understood. The design of charge layer (including doping level and thickness) can be calculated by our predictive model for different multiplication thickness. We find that as the thickness of charge layer increases, the suitable doping level range in charge layer decreases. Compared to thinner charge layer, performance of APD varies significantly via several percent deviations of doping concentrations in thicker charge layer. Moreover, the generation rate ( G btt ) of band-to-band tunnel is calculated, and the influence of tunneling effect on avalanche field was analyzed. We confirm that avalanche field and multiplication factor ( M n ) in multiplication will decrease by the tunneling effect. The theoretical model and analysis are based on InGaAs/InAlAs APD; however, they are applicable to other APD material systems as well.

The Hunters Point cogeneration project: Environmental justice in power plant siting

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

Kosloff, L.H.; Varanini, E.E. III

1997-12-31

The recent Hunters Point, San Francisco power plant siting process in California represents the first time that environmental justice has arisen as a major power plant siting issue. Intervenors argued that the siting process was racially and economically biased and were supported by leading environmental justice activists at the Golden Gate Law School`s Environmental Justice Clinic, a leading thinker in this field. The applicant argued that environmental justice charges cannot realistically be made against a modern natural-gas energy facility with state-of-the-art environmental controls. The applicant also argued that environmental justice concerns were fully addressed through the extensive environmental and socioeconomicmore » review carried out by California Energy Commission staff. After extensive testimony and cross-examination, the Commission agreed with the applicant. This case has important lessons for companies that could be charged with environmental justice violations and environmental justice activists who must decide where to most effectively target their efforts. This paper reviews the proceeding and its lessons and makes recommendations regarding future applicability of environmental justice issues to the power generation sector. The authors represented the applicant in the facility siting proceeding.« less

Data pieces-based parameter identification for lithium-ion battery

NASA Astrophysics Data System (ADS)

Gao, Wei; Zou, Yuan; Sun, Fengchun; Hu, Xiaosong; Yu, Yang; Feng, Sen

2016-10-01

Battery characteristics vary with temperature and aging, it is necessary to identify battery parameters periodically for electric vehicles to ensure reliable State-of-Charge (SoC) estimation, battery equalization and safe operation. Aiming for on-board applications, this paper proposes a data pieces-based parameter identification (DPPI) method to identify comprehensive battery parameters including capacity, OCV (open circuit voltage)-Ah relationship and impedance-Ah relationship simultaneously only based on battery operation data. First a vehicle field test was conducted and battery operation data was recorded, then the DPPI method is elaborated based on vehicle test data, parameters of all 97 cells of the battery package are identified and compared. To evaluate the adaptability of the proposed DPPI method, it is used to identify battery parameters of different aging levels and different temperatures based on battery aging experiment data. Then a concept of ;OCV-Ah aging database; is proposed, based on which battery capacity can be identified even though the battery was never fully charged or discharged. Finally, to further examine the effectiveness of the identified battery parameters, they are used to perform SoC estimation for the test vehicle with adaptive extended Kalman filter (AEKF). The result shows good accuracy and reliability.

2-in-1 shampoo technology: state-of-the-art shampoo and conditioner in one.

PubMed

Rushton, H; Gummer, C L; Flasch, H

1994-01-01

Consumers have expressed a need for cleaning and conditioning in one step. Conventional shampoo technology using anionic surfactants and cationic conditioners results in charge interaction and complexing of the ingredients. Neither shampoo nor conditioners achieves the desired result. The successful solution was to incorporate charge neutral dimethicone conditioning ingredients, suspended as microfine droplets within complex crystal lattices, into anionic surfactant shampoo technology. The same solution has also been applied to amphoteric surfactant systems. This provides complete cleaning, and hair conditioning fully equal to separate conditioners without the problems of sebum interactions and conditioner build-up. This was achieved by keeping the dimethicone in suspension throughout the shampoo process. During rinsing, excess water breaks the crystalline lattice and allows deposition of the dimethicone droplets onto the hair. Full cleaning and conditioning are, therefore, achieved in one application. Dimethicone build-up is not encountered as subsequent washes first remove soil and previously deposited dimethicone. Neither do neutral dimethicones show any reactions with sebum. The development of effective 2-in-1 technology has had a major impact on shampoo technology and consumer habits and practices. This has significantly changed the way consumers care for their hair.

Adiabatic quantum pump in a zigzag graphene nanoribbon junction

NASA Astrophysics Data System (ADS)

Zhang, Lin

2015-11-01

The adiabatic electron transport is theoretically studied in a zigzag graphene nanoribbon (ZGNR) junction with two time-dependent pumping electric fields. By modeling a ZGNR p-n junction and applying the Keldysh Green’s function method, we find that a pumped charge current is flowing in the device at a zero external bias, which mainly comes from the photon-assisted tunneling process and the valley selection rule in an even-chain ZGNR junction. The pumped charge current and its ON and OFF states can be efficiently modulated by changing the system parameters such as the pumping frequency, the pumping phase difference, and the Fermi level. A ferromagnetic ZGNR device is also studied to generate a pure spin current and a fully polarized spin current due to the combined spin pump effect and the valley valve effect. Our finding might pave the way to manipulate the degree of freedom of electrons in a graphene-based electronic device. Project supported by the National Natural Science Foundation of China (Grant No. 110704033), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK2010416), and the Natural Science Foundation for Colleges and Universities in Jiangsu Province, China (Grant No. 13KJB140005).

Raising the cycling stability of aqueous lithium-ion batteries by eliminating oxygen in the electrolyte.

PubMed

Luo, Jia-Yan; Cui, Wang-Jun; He, Ping; Xia, Yong-Yao

2010-09-01

Aqueous lithium-ion batteries may solve the safety problem associated with lithium-ion batteries that use highly toxic and flammable organic solvents, and the poor cycling life associated with commercialized aqueous rechargeable batteries such as lead-acid and nickel-metal hydride systems. But all reported aqueous lithium-ion battery systems have shown poor stability: the capacity retention is typically less than 50% after 100 cycles. Here, the stability of electrode materials in an aqueous electrolyte was extensively analysed. The negative electrodes of aqueous lithium-ion batteries in a discharged state can react with water and oxygen, resulting in capacity fading upon cycling. By eliminating oxygen, adjusting the pH values of the electrolyte and using carbon-coated electrode materials, LiTi(2)(PO(4))(3)/Li(2)SO(4)/LiFePO(4) aqueous lithium-ion batteries exhibited excellent stability with capacity retention over 90% after 1,000 cycles when being fully charged/discharged in 10 minutes and 85% after 50 cycles even at a very low current rate of 8 hours for a full charge/discharge offering an energy storage system with high safety, low cost, long cycling life and appropriate energy density.

Experimental demonstration of a fully inseparable quantum state with nonlocalizable entanglement

PubMed Central

Mičuda, M.; Koutný, D.; Miková, M.; Straka, I.; Ježek, M.; Mišta, L.

2017-01-01

Localizability of entanglement in fully inseparable states is a key ingredient of assisted quantum information protocols as well as measurement-based models of quantum computing. We investigate the existence of fully inseparable states with nonlocalizable entanglement, that is, with entanglement which cannot be localized between any pair of subsystems by any measurement on the remaining part of the system. It is shown, that the nonlocalizable entanglement occurs already in suitable mixtures of a three-qubit GHZ state and white noise. Further, we generalize this set of states to a two-parametric family of fully inseparable three-qubit states with nonlocalizable entanglement. Finally, we demonstrate experimentally the existence of nonlocalizable entanglement by preparing and characterizing one state from the family using correlated single photons and linear optical circuit. PMID:28344336

Experimental demonstration of a fully inseparable quantum state with nonlocalizable entanglement.

PubMed

Mičuda, M; Koutný, D; Miková, M; Straka, I; Ježek, M; Mišta, L

2017-03-27

Localizability of entanglement in fully inseparable states is a key ingredient of assisted quantum information protocols as well as measurement-based models of quantum computing. We investigate the existence of fully inseparable states with nonlocalizable entanglement, that is, with entanglement which cannot be localized between any pair of subsystems by any measurement on the remaining part of the system. It is shown, that the nonlocalizable entanglement occurs already in suitable mixtures of a three-qubit GHZ state and white noise. Further, we generalize this set of states to a two-parametric family of fully inseparable three-qubit states with nonlocalizable entanglement. Finally, we demonstrate experimentally the existence of nonlocalizable entanglement by preparing and characterizing one state from the family using correlated single photons and linear optical circuit.

Laser pulse control of ultrafast heterogeneous electron transfer: a computational study.

PubMed

Wang, Luxia; May, Volkhard

2004-10-22

Laser pulse control of the photoinduced 90 fs charge injection from perylene into the conduction band of TiO2 is studied theoretically. The approach accounts for the electronic-ground state of the dye, the first excited state, the ionized state formed after charge injection, and the continuum of the electronic states in the conduction band, all defined vs a single reaction coordinate. To address different control tasks optimal control theory is combined with a full quantum dynamical description of the electron-vibrational motion accompanying the charge injection process. First it is proved in which way the charge injection time can be changed by tailored laser pulses. In a second step a pump-dump scheme from the perylene ground state to the first excited electronic state and back to the ground state is discussed. Because of the strong coupling of the excited perylene state to the band continuum of TiO2 this control task is more suited to an experimental test than the direct control of the charge injection.

Increasing Protein Charge State When Using Laser Electrospray Mass Spectrometry

NASA Astrophysics Data System (ADS)

Karki, Santosh; Flanigan, Paul M.; Perez, Johnny J.; Archer, Jieutonne J.; Levis, Robert J.

2015-05-01

Femtosecond (fs) laser vaporization is used to transfer cytochrome c, myoglobin, lysozyme, and ubiquitin from the condensed phase into an electrospray (ES) plume consisting of a mixture of a supercharging reagent, m-nitrobenzyl alcohol ( m-NBA), and trifluoroacetic acid (TFA), acetic acid (AA), or formic acid (FA). Interaction of acid-sensitive proteins like cytochrome c and myoglobin with the highly charged ES droplets resulted in a shift to higher charge states in comparison with acid-stable proteins like lysozyme and ubiquitin. Laser electrospray mass spectrometry (LEMS) measurements showed an increase in both the average charge states (Zavg) and the charge state with maximum intensity (Zmode) for acid-sensitive proteins compared with conventional electrospray ionization mass spectrometry (ESI-MS) under equivalent solvent conditions. A marked increase in ion abundance of higher charge states was observed for LEMS in comparison with conventional electrospray for cytochrome c (ranging from 19+ to 21+ versus 13+ to 16+) and myoglobin (ranging from 19+ to 26+ versus 18+ to 21+) using an ES solution containing m-NBA and TFA. LEMS measurements as a function of electrospray flow rate yielded increasing charge states with decreasing flow rates for cytochrome c and myoglobin.

Synergia: an accelerator modeling tool with 3-D space charge

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

Amundson, James F.; Spentzouris, P.; /Fermilab

2004-07-01

High precision modeling of space-charge effects, together with accurate treatment of single-particle dynamics, is essential for designing future accelerators as well as optimizing the performance of existing machines. We describe Synergia, a high-fidelity parallel beam dynamics simulation package with fully three dimensional space-charge capabilities and a higher order optics implementation. We describe the computational techniques, the advanced human interface, and the parallel performance obtained using large numbers of macroparticles. We also perform code benchmarks comparing to semi-analytic results and other codes. Finally, we present initial results on particle tune spread, beam halo creation, and emittance growth in the Fermilab boostermore » accelerator.« less

Stratified charge rotary aircraft engine technology enablement program

NASA Technical Reports Server (NTRS)

Badgley, P. R.; Irion, C. E.; Myers, D. M.

1985-01-01

The multifuel stratified charge rotary engine is discussed. A single rotor, 0.7L/40 cu in displacement, research rig engine was tested. The research rig engine was designed for operation at high speeds and pressures, combustion chamber peak pressure providing margin for speed and load excursions above the design requirement for a high is advanced aircraft engine. It is indicated that the single rotor research rig engine is capable of meeting the established design requirements of 120 kW, 8,000 RPM, 1,379 KPA BMEP. The research rig engine, when fully developed, will be a valuable tool for investigating, advanced and highly advanced technology components, and provide an understanding of the stratified charge rotary engine combustion process.

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

Possible Dynamically Gated Conductance along Heme Wires in Bacterial Multiheme Cytochromes

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

Smith, Dayle MA; Rosso, Kevin M.

2014-07-24

The staggered cross decaheme configuration of electron transfer co-factors in the outer-membrane cytochrome MtrF may serve as a prototype for conformationally-gated multi-heme electron transport. Derived from the bacterium Shewanella oneidensis, the staggered cross configuration reveals intersecting c-type octaheme and tetraheme “wires” containing thermodynamic “hills” and “valleys”, suggesting that the protein structure may include a dynamical mechanism for conductance and pathway switching depending on enzymatic functional need. Recent molecular simulations have established the pair-wise electronic couplings, redox potentials, and reorganization energies to predict the maximum conductance along the various heme wire pathways by sequential hopping of a single electron (PNAS (2014)more » 11,611-616). Here, we expand this information with classical molecular and statistical mechanics calculations of large-amplitude protein dynamics in MtrF, to address its potential to modulate pathway conductance, including assessment of the effect of the total charge state. Explicit solvent molecular dynamics simulations of fully oxidized and fully reduced MtrF employing ten independent 50-ns simulations at 300 K and 1 atm showed that reduced MtrF is more expanded and explores more conformational space than oxidized MtrF, and that heme reduction leads to increased heme solvent exposure. The slowest mode of collective decaheme motion is 90% similar between the oxidized and reduced states, and consists primarily of inter-heme separation with minor rotational contributions. The frequency of this motion is 1.7×107 s 1 for fully-oxidized and fully-reduced MtrF, respectively, slower than the downhill electron transfer rates between stacked heme pairs at the octaheme termini and faster than the electron transfer rates between parallel hemes in the tetraheme chain. This implies that MtrF uses slow conformational fluctuations to modulate electron flow along the octaheme pathway, apparently for the purpose of increasing the residence time of electrons on lowest potential hemes 4 and 9. This apparent gating mechanism should increase the success rate of electron transfer from MtrF to low potential environmental acceptors via these two solvent-exposed hemes.« less

Charge structure of the hadronic final state in deep-inelastic muon-nucleon scattering

NASA Astrophysics Data System (ADS)

Arneodo, M.; Arvidson, A.; Aubert, J. J.; Bedełek, J.; Beaufays, J.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I.; Blum, D.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S.; Brück, H.; Calen, H.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Coughlan, J.; D'Agostini, G.; Dahlgren, S.; Dengler, F.; Derado, I.; Dreyer, T.; Drees, J.; Düren, M.; Eckardt, V.; Edwards, A.; Edwards, M.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Ftáčnik, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Grafström, P.; Grard, F.; Haas, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Jaffré, M.; Jachołkowska, A.; Janata, F.; Jancsó, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Korbel, V.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Malecki, P.; Manz, A.; Maselli, S.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pawlik, B.; Payre, P.; Peroni, C.; Peschel, H.; Pessard, H.; Pettinghale, J.; Pietrzyk, B.; Pietrzyk, U.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Sandacz, A.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Schneider, A.; Scholz, M.; Schröder, T.; Schultze, K.; Sloan, T.; Stier, H. E.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; de La Torre, A.; Toth, J.; Urban, L.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.

1988-09-01

The general charge properties of the hadronic final state produced in μ + p and μ + d interactions at 280 GeV are investigated. Quark charge retention and local charge compensation is observed. The ratio F {2/ n }/ F {2/ p } of the neutron to proton structure function is derived from the measurement of the average hadronic charge in μ d interactions.

Electric motorcycle charging station powered by solar energy

NASA Astrophysics Data System (ADS)

Siriwattanapong, Akarawat; Chantharasenawong, Chawin

2018-01-01

This research proposes a design and verification of an off-grid photovoltaic system (PVS) for electric motorcycle charging station to be located in King’s Mongkut’s University of Technology Thonburi, Bangkok, Thailand. The system is designed to work independently (off-grid) and it must be able to fully charge the batteries of a typical passenger electric motorcycle every evening. A 1,000W Toyotron electric motorcycle is chosen for this study. It carries five units of 12.8V 20Ah batteries in series; hence its maximum energy requirement per day is 1,200Wh. An assessment of solar irradiation data and the Generation Factor in Bangkok, Thailand suggests that the charging system consists of one 500W PV panel, an MPPT charge controller, 48V 150Ah battery, a 1,000W DC to AC inverter and other safety devices such as fuses and breakers. An experiment is conducted to verify the viability of the off-grid PVS charging station by collecting the total daily energy generation data in the raining season and winter. The data suggests that the designed off-grid solar power charging station for electric motorcycle is able to supply sufficient energy for daily charging requirements.

Insights into the Effects of Zinc Doping on Structural Phase Transition of P2-Type Sodium Nickel Manganese Oxide Cathodes for High-Energy Sodium Ion Batteries

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

Wu, Xuehang; Xu, Gui-Liang; Zhong, Guiming

P2-type sodium nickel manganese oxide-based cathode materials with higher energy densities are prime candidates for applications in rechargeable sodium ion batteries. A systematic study combining in situ high energy X-ray diffraction (HEXRD), ex situ Xray absorption fine spectroscopy (XAFS), transmission electron microscopy (TEM), and solid-state nuclear magnetic resonance (SSNMR) techniques was carried out to gain a deep insight into the structural evolution of P2-Na 0.66Ni 0.33-xZn xMn 0.67O 2 (x = 0, 0.07) during cycling. In situ HEXRD and ex situ TEM measurements indicate that an irreversible phase transition occurs upon sodium insertion-extraction of Na 0.66Ni 0.33Mn 0.67O 2. Zincmore » doping of this system results in a high structural reversibility. XAFS measurements indicate that both materials are almost completely dependent on the Ni 4+/Ni 3+/ Ni 2+ redox couple to provide charge/discharge capacity. SS-NMR measurements indicate that both reversible and irreversible migration of transition metal ions into the sodium layer occurs in the material at the fully charged state. The irreversible migration of transition metal ions triggers a structural distortion, leading to the observed capacity and voltage fading. Our results allow a new understanding of the importance of improving the stability of transition metal layers.« less

New charging strategy for lithium-ion batteries based on the integration of Taguchi method and state of charge estimation

NASA Astrophysics Data System (ADS)

Vo, Thanh Tu; Chen, Xiaopeng; Shen, Weixiang; Kapoor, Ajay

2015-01-01

In this paper, a new charging strategy of lithium-polymer batteries (LiPBs) has been proposed based on the integration of Taguchi method (TM) and state of charge estimation. The TM is applied to search an optimal charging current pattern. An adaptive switching gain sliding mode observer (ASGSMO) is adopted to estimate the SOC which controls and terminates the charging process. The experimental results demonstrate that the proposed charging strategy can successfully charge the same types of LiPBs with different capacities and cycle life. The proposed charging strategy also provides much shorter charging time, narrower temperature variation and slightly higher energy efficiency than the equivalent constant current constant voltage charging method.

Modelling blast induced damage from a fully coupled explosive charge

PubMed Central

Onederra, Italo A.; Furtney, Jason K.; Sellers, Ewan; Iverson, Stephen

2015-01-01

This paper presents one of the latest developments in the blasting engineering modelling field—the Hybrid Stress Blasting Model (HSBM). HSBM includes a rock breakage engine to model detonation, wave propagation, rock fragmentation, and muck pile formation. Results from two controlled blasting experiments were used to evaluate the code’s ability to predict the extent of damage. Results indicate that the code is capable of adequately predicting both the extent and shape of the damage zone associated with the influence of point-of-initiation and free-face boundary conditions. Radial fractures extending towards a free face are apparent in the modelling output and matched those mapped after the experiment. In the stage 2 validation experiment, the maximum extent of visible damage was of the order of 1.45 m for the fully coupled 38-mm emulsion charge. Peak radial velocities were predicted within a relative difference of only 1.59% at the nearest history point at 0.3 m from the explosive charge. Discrepancies were larger further away from the charge, with relative differences of −22.4% and −42.9% at distances of 0.46 m and 0.61 m, respectively, meaning that the model overestimated particle velocities at these distances. This attenuation deficiency in the modelling produced an overestimation of the damage zone at the corner of the block due to excessive stress reflections. The extent of visible damage in the immediate vicinity of the blasthole adequately matched the measurements. PMID:26412978

Expected charge states of energetic ions in the magnetosphere

NASA Technical Reports Server (NTRS)

Spjeldvik, W. N.

1979-01-01

Major developments in magnetospheric heavy ion physics during the period 1974-1977 are reviewed with emphasis on charge state aspects. Particular attention is given to the high energy component at energies above tens of keV per ion. Also considered are charge exchange processes with application to the inner magnetosphere, a comparison between theory and measurements, and a survey of heavy ion and charge state observations in the outer magnetosphere, magnetosheath and the surrounding space.

Calculations of heavy ion charge state distributions for nonequilibrium conditions

NASA Technical Reports Server (NTRS)

Luhn, A.; Hovestadt, D.

1985-01-01

Numerical calculations of the charge state distributions of test ions in a hot plasma under nonequilibrium conditions are presented. The mean ionic charges of heavy ions for finite residence times in an instantaneously heated plasma and for a non-Maxwellian electron distribution function are derived. The results are compared with measurements of the charge states of solar energetic particles, and it is found that neither of the two simple cases considered can explain the observations.

Analytical approach to impurity transport studies: Charge state dynamics in tokamak plasmas

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

Shurygin, V. A.

2006-08-15

Ionization and recombination of plasma impurities govern their charge state kinetics, which is imposed upon the dynamics of ions that implies a superposition of the appropriate probabilities and causes an impurity charge state dynamics. The latter is considered in terms of a vector field of conditional probabilities and presented by a vector charge state distribution function with coupled equations of the Kolmogorov type. Analytical solutions of a diffusion problem are derived with the basic spatial and temporal dimensionless parameters. Analysis shows that the empirical scaling D{sub A}{proportional_to}n{sub e}{sup -1} [K. Krieger, G. Fussmann, and the ASDEX Upgrade Team, Nucl. Fusionmore » 30, 2392 (1990)] can be explained by the ratio of the diffusive and kinetic terms, D{sub A}/(n{sub e}a{sup 2}), being used instead of diffusivity, D{sub A}. The derived time scales of charge state dynamics are given by a sum of the diffusive and kinetic times. Detailed simulations of charge state dynamics are performed for argon impurity and compared with the reference modeling.« less

A vacuum spark ion source: High charge state metal ion beams

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

Yushkov, G. Yu., E-mail: gyushkov@mail.ru; Nikolaev, A. G.; Frolova, V. P.

2016-02-15

High ion charge state is often important in ion beam physics, among other reasons for the very practical purpose that it leads to proportionately higher ion beam energy for fixed accelerating voltage. The ion charge state of metal ion beams can be increased by replacing a vacuum arc ion source by a vacuum spark ion source. Since the voltage between anode and cathode remains high in a spark discharge compared to the vacuum arc, higher metal ion charge states are generated which can then be extracted as an ion beam. The use of a spark of pulse duration less thanmore » 10 μs and with current up to 10 kA allows the production of ion beams with current of several amperes at a pulse repetition rate of up to 5 pps. We have demonstrated the formation of high charge state heavy ions (bismuth) of up to 15 + and a mean ion charge state of more than 10 +. The physics and techniques of our vacuum spark ion source are described.« less

Alternative Fuels Data Center: Government Champions Workplace Charging

Science.gov Websites

in over 20 states, and at the federal level, to support EVSE installation. Workplace charging occurs . Federal Workplace Charging Support In 2012, the U.S. Department of Energy (DOE) established an initiative offering charging to their employees. State and federal agencies also benefit from WPCC support when

Stark tuning and electrical charge state control of single divacancies in silicon carbide

NASA Astrophysics Data System (ADS)

de las Casas, Charles F.; Christle, David J.; Ul Hassan, Jawad; Ohshima, Takeshi; Son, Nguyen T.; Awschalom, David D.

2017-12-01

Neutrally charged divacancies in silicon carbide (SiC) are paramagnetic color centers whose long coherence times and near-telecom operating wavelengths make them promising for scalable quantum communication technologies compatible with existing fiber optic networks. However, local strain inhomogeneity can randomly perturb their optical transition frequencies, which degrades the indistinguishability of photons emitted from separate defects and hinders their coupling to optical cavities. Here, we show that electric fields can be used to tune the optical transition frequencies of single neutral divacancy defects in 4H-SiC over a range of several GHz via the DC Stark effect. The same technique can also control the charge state of the defect on microsecond timescales, which we use to stabilize unstable or non-neutral divacancies into their neutral charge state. Using fluorescence-based charge state detection, we show that both 975 nm and 1130 nm excitation can prepare their neutral charge state with near unity efficiency.

First-principle simulations of electronic structure in semicrystalline polyethylene

NASA Astrophysics Data System (ADS)

Moyassari, A.; Unge, M.; Hedenqvist, M. S.; Gedde, U. W.; Nilsson, F.

2017-05-01

In order to increase our fundamental knowledge about high-voltage cable insulation materials, realistic polyethylene (PE) structures, generated with a novel molecular modeling strategy, have been analyzed using first principle electronic structure simulations. The PE structures were constructed by first generating atomistic PE configurations with an off-lattice Monte Carlo method and then equilibrating the structures at the desired temperature and pressure using molecular dynamics simulations. Semicrystalline, fully crystalline and fully amorphous PE, in some cases including crosslinks and short-chain branches, were analyzed. The modeled PE had a structure in agreement with established experimental data. Linear-scaling density functional theory (LS-DFT) was used to examine the electronic structure (e.g., spatial distribution of molecular orbitals, bandgaps and mobility edges) on all the materials, whereas conventional DFT was used to validate the LS-DFT results on small systems. When hybrid functionals were used, the simulated bandgaps were close to the experimental values. The localization of valence and conduction band states was demonstrated. The localized states in the conduction band were primarily found in the free volume (result of gauche conformations) present in the amorphous regions. For branched and crosslinked structures, the localized electronic states closest to the valence band edge were positioned at branches and crosslinks, respectively. At 0 K, the activation energy for transport was lower for holes than for electrons. However, at room temperature, the effective activation energy was very low (˜0.1 eV) for both holes and electrons, which indicates that the mobility will be relatively high even below the mobility edges and suggests that charge carriers can be hot carriers above the mobility edges in the presence of a high electrical field.

Trapping effect of metal nanoparticle mono- and multilayer in the organic field-effect transistor

NASA Astrophysics Data System (ADS)

Lee, Keanchuan; Weis, Martin; Lin, Jack; Taguchi, Dai; Majková, Eva; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-03-01

The effect of silver nanoparticles self-assembled monolayer (Ag NPs SAM) on charge transport in pentacene organic field-effect transistors (OFET) was investigated by both steady-state and transient-state methods, which are current-voltage measurements in steady-state and time-resolved microscopic (TRM) second harmonic generation (SHG) in transient-state, respectively. The analysis of electronic properties revealed that OFET with SAM exhibited significant charge trapping effect due to the space-charge field formed by immobile charges. Lower transient-state mobility was verified by the direct probing of carrier motion by TRM-SHG technique. It was shown that the trapping effect rises together with increase of SAM layers suggesting the presence of traps in the bulk of NP films. The model based on the electrostatic charge barrier is suggested to explain the phenomenon.

Melting of Pb Charge Glass and Simultaneous Pb-Cr Charge Transfer in PbCrO 3 as the Origin of Volume Collapse

DOE PAGES

Yu, Runze; Hojo, Hajime; Watanuki, Tetsu; ...

2015-09-15

A metal to insulator transition in integer or half integer charge systems can be regarded as crystallization of charges. The insulating state tends to have a glassy nature when randomness or geometrical frustration exists. In this paper, we report that the charge glass state is realized in a perovskite compound PbCrO 3, which has been known for almost 50 years, without any obvious inhomogeneity or triangular arrangement in the charge system. PbCrO 3 has a valence state of Pb 2+ 0.5Pb 4+ 0.5Cr 3+O 3 with Pb 2+–Pb 4+ correlation length of three lattice-spacings at ambient condition. A pressure inducedmore » melting of charge glass and simultaneous Pb–Cr charge transfer causes an insulator to metal transition and ~10% volume collapse.« less

Thermodynamics of emergent magnetic charge screening in artificial spin ice

DOE PAGES

Farhan, Alan; Scholl, Andreas; Petersen, Charlotte F.; ...

2016-09-01

Electric charge screening is a fundamental principle governing the behaviour in a variety of systems in nature. Through reconfiguration of the local environment, the Coulomb attraction between electric charges is decreased, leading, for example, to the creation of polaron states in solids or hydration shells around proteins in water. Here, we directly visualize the real-time creation and decay of screened magnetic charge configurations in a two-dimensional artificial spin ice system, the dipolar dice lattice. By comparing the temperature dependent occurrence of screened and unscreened emergent magnetic charge defects, we determine that screened magnetic charges are indeed a result of localmore » energy reduction and appear as a transient minimum energy state before the system relaxes towards the predicted ground state. These results highlight the important role of emergent magnetic charges in artificial spin ice, giving rise to screened charge excitations and the emergence of exotic low-temperature configurations.« less

Thermodynamics of emergent magnetic charge screening in artificial spin ice

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

Farhan, Alan; Scholl, Andreas; Petersen, Charlotte F.

Electric charge screening is a fundamental principle governing the behaviour in a variety of systems in nature. Through reconfiguration of the local environment, the Coulomb attraction between electric charges is decreased, leading, for example, to the creation of polaron states in solids or hydration shells around proteins in water. Here, we directly visualize the real-time creation and decay of screened magnetic charge configurations in a two-dimensional artificial spin ice system, the dipolar dice lattice. By comparing the temperature dependent occurrence of screened and unscreened emergent magnetic charge defects, we determine that screened magnetic charges are indeed a result of localmore » energy reduction and appear as a transient minimum energy state before the system relaxes towards the predicted ground state. These results highlight the important role of emergent magnetic charges in artificial spin ice, giving rise to screened charge excitations and the emergence of exotic low-temperature configurations.« less

Phase-change memory function of correlated electrons in organic conductors

NASA Astrophysics Data System (ADS)

Oike, H.; Kagawa, F.; Ogawa, N.; Ueda, A.; Mori, H.; Kawasaki, M.; Tokura, Y.

2015-01-01

Phase-change memory (PCM), a promising candidate for next-generation nonvolatile memories, exploits quenched glassy and thermodynamically stable crystalline states as reversibly switchable state variables. We demonstrate PCM functions emerging from a charge-configuration degree of freedom in strongly correlated electron systems. Nonvolatile reversible switching between a high-resistivity charge-crystalline (or charge-ordered) state and a low-resistivity quenched state, charge glass, is achieved experimentally via heat pulses supplied by optical or electrical means in organic conductors θ -(BEDT-TTF)2X . Switching that is one order of magnitude faster is observed in another isostructural material that requires faster cooling to kinetically avoid charge crystallization, indicating that the material's critical cooling rate can be useful guidelines for pursuing a faster correlated-electron PCM function.

The low-energy, charge-transfer excited states of 4-amino-4-prime-nitrodiphenyl sulfide

NASA Technical Reports Server (NTRS)

O'Connor, Donald B.; Scott, Gary W.; Tran, Kim; Coulter, Daniel R.; Miskowski, Vincent M.; Stiegman, Albert E.; Wnek, Gary E.

1992-01-01

Absorption and emission spectra of 4-amino-4-prime-nitrodiphenyl sulfide in polar and nonpolar solvents were used to characterize and assign the low-energy excited states of the molecule. Fluorescence-excitation anisotropy spectra and fluorescence quantum yields were also used to characterize the photophysics of these states. The lowest-energy fluorescent singlet state was determined to be an intramolecular charge transfer (ICT) state involving transfer of a full electron charge from the amino to the nitro group yielding a dipole moment of about 50 D. A low-energy, intense absorption band is assigned as a transition to a different ICT state involving a partial electron charge transfer from sulfur to the nitro group.

Formation and fragmentation of quadruply charged molecular ions by intense femtosecond laser pulses.

PubMed

Yatsuhashi, Tomoyuki; Nakashima, Nobuaki

2010-07-22

We investigated the formation and fragmentation of multiply charged molecular ions of several aromatic molecules by intense nonresonant femtosecond laser pulses of 1.4 mum with a 130 fs pulse duration (up to 2 x 10(14) W cm(-2)). Quadruply charged states were produced for 2,3-benzofluorene and triphenylene molecular ion in large abundance, whereas naphthalene and 1,1'-binaphthyl resulted only in up to triply charged molecular ions. The laser wavelength was nonresonant with regard to the electronic transitions of the neutral molecules, and the degree of fragmentation was strongly correlated with the absorption of the singly charged cation radical. Little fragmentation was observed for naphthalene (off-resonant with cation), whereas heavy fragmentation was observed in the case of 1,1'-binaphthyl (resonant with cation). The degree of H(2) (2H) and 2H(2) (4H) elimination from molecular ions increased as the charge states increased in all the molecules examined. A striking difference was found between triply and quadruply charged 2,3-benzofluorene: significant suppression of molecular ions with loss of odd number of hydrogen was observed in the quadruply charged ions. The Coulomb explosion of protons in the quadruply charged state and succeeding fragmentation resulted in the formation of triply charged molecular ions with an odd number of hydrogens. The hydrogen elimination mechanism in the highly charged state is discussed.

Abnormal Multiple Charge Memory States in Exfoliated Few-Layer WSe2 Transistors.

PubMed

Chen, Mikai; Wang, Yifan; Shepherd, Nathan; Huard, Chad; Zhou, Jiantao; Guo, L J; Lu, Wei; Liang, Xiaogan

2017-01-24

To construct reliable nanoelectronic devices based on emerging 2D layered semiconductors, we need to understand the charge-trapping processes in such devices. Additionally, the identified charge-trapping schemes in such layered materials could be further exploited to make multibit (or highly desirable analog-tunable) memory devices. Here, we present a study on the abnormal charge-trapping or memory characteristics of few-layer WSe 2 transistors. This work shows that multiple charge-trapping states with large extrema spacing, long retention time, and analog tunability can be excited in the transistors made from mechanically exfoliated few-layer WSe 2 flakes, whereas they cannot be generated in widely studied few-layer MoS 2 transistors. Such charge-trapping characteristics of WSe 2 transistors are attributed to the exfoliation-induced interlayer deformation on the cleaved surfaces of few-layer WSe 2 flakes, which can spontaneously form ambipolar charge-trapping sites. Our additional results from surface characterization, charge-retention characterization at different temperatures, and density functional theory computation strongly support this explanation. Furthermore, our research also demonstrates that the charge-trapping states excited in multiple transistors can be calibrated into consistent multibit data storage levels. This work advances the understanding of the charge memory mechanisms in layered semiconductors, and the observed charge-trapping states could be further studied for enabling ultralow-cost multibit analog memory devices.

Observability of Same-Charge Lepton Topologies in Fully Leptonic Top Quark Pair Events in CMS

NASA Astrophysics Data System (ADS)

Lowette, S.

2007-02-01

At the Large Hadron Collider dileptonic tbar t({+jets}) events can be selected with a relatively high signal-to-noise ratio and efficiency, with background events produced via Standard Model diagrams. Within the clean sample of these events, both isolated leptons have an opposite electric charge. In several models beyond the Standard Model tt/ bar t bar t(+{jets}) topologies are predicted, kinematically similar to the Standard Model tbar t({+jets}) signature, where both leptons have an equal electric charge. Such a signal of new physics can be diluted by the mis-identification of the leptons or their electric charge in Standard Model tbar t({+jets}) events. The observability of an excess of same-charge dilepton signals above the mis-reconstruction of the Standard Model background is presented, assuming the same topology. With an integrated luminosity of 30 fb-1, a same-charge dilepton signature of pp to tt/ bar t bar t events with a cross section larger than 1.2 pb is visible in the measurement of the ratio between same-charge and opposite-charge lepton pair events [J. D'Hondt, S. Lowette, G. Hammad, J. Heyninck, P. Van Mulders, ``Observability of same-charge lepton topology in dileptonic events t bar t'', CERN-CMS-NOTE-2006-065.

Local Structure Evolution and Modes of Charge Storage in Secondary Li–FeS 2 Cells

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

Butala, Megan M.; Mayo, Martin; Doan-Nguyen, Vicky V. T.

2017-03-27

In the pursuit of high-capacity electrochemical energy storage, a promising domain of research involves conversion reaction schemes, wherein electrode materials are fully transformed during charge and discharge. There are, however, numerous difficulties in realizing theoretical capacity and high rate capability in many conversion schemes. Here we employ operando studies to understand the conversion material FeS2, focusing on the local structure evolution of this relatively reversible material. X-ray absorption spectroscopy, pair distribution function analysis, and first-principles calculations of intermediate structures shed light on the mechanism of charge storage in the Li-FeS2 system, with some general principles emerging for charge storage inmore » chalcogenide materials. Focusing on second and later charge/discharge cycles, we find small, disordered domains that locally resemble Fe and Li2S at the end of the first discharge. Upon charge, this is converted to a Li-Fe-S composition whose local structure reveals tetrahedrally coordinated Fe. With continued charge, this ternary composition displays insertion extraction behavior at higher potentials and lower Li content. The finding of hybrid modes of charge storage, rather than simple conversion, points to the important role of intermediates that appear to store charge by mechanisms that more closely resemble intercalation.« less

X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule

DOE PAGES

Fang, Li; Xiong, Hui; Kukk, Edwin; ...

2017-05-19

Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up tomore » 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.« less

Optimization of the Orbiting Wide-Angle Light Collectors (OWL) Mission for Charged-Particle and Neutrino Astronomy

NASA Technical Reports Server (NTRS)

Krizmanic, John F.; Mitchell, John W.; Streitmatter, Robert E.

2013-01-01

OWL [1] uses the Earth's atmosphere as a vast calorimeter to fully enable the emerging field of charged-particle astronomy with high-statistics measurements of ultra-high-energy cosmic rays (UHECR) and a search for sources of UHE neutrinos and photons. Confirmation of the Greisen-Zatsepin-Kuzmin (GZK) suppression above approx. 4 x 10(exp 19) eV suggests that most UHECR originate in astrophysical objects. Higher energy particles must come from sources within about 100 Mpc and are deflected by approx. 1 degree by predicted intergalactic/galactic magnetic fields. The Pierre Auger Array, Telescope Array and the future JEM-EUSO ISS mission will open charged-particle astronomy, but much greater exposure will be required to fully identify and measure the spectra of individual sources. OWL uses two large telescopes with 3 m optical apertures and 45 degree FOV in near-equatorial orbits. Simulations of a five-year OWL mission indicate approx. 10(exp 6) sq km/ sr/ yr of exposure with full aperture at approx. 6 x 10(exp 19) eV. Observations at different altitudes and spacecraft separations optimize sensitivity to UHECRs and neutrinos. OWL's stereo event reconstruction is nearly independent of track inclination and very tolerant of atmospheric conditions. An optional monocular mode gives increased reliability and can increase the instantaneous aperture. OWL can fully reconstruct horizontal and upward-moving showers and so has high sensitivity to UHE neutrinos. New capabilities in inflatable structures optics and silicon photomultipliers can greatly increase photon sensitivity, reducing the energy threshold for n detection or increasing viewed area using a higher orbit. Design trades between the original and optimized OWL missions and the enhanced science capabilities are described.

Interfacial Charge Transfer States in Condensed Phase Systems

NASA Astrophysics Data System (ADS)

Vandewal, Koen

2016-05-01

Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

Multidimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Chacon, Luis

2015-09-01

We discuss a new, conservative, fully implicit 2D-3V particle-in-cell algorithm for non-radiative, electromagnetic kinetic plasma simulations, based on the Vlasov-Darwin model. Unlike earlier linearly implicit PIC schemes and standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. This has been demonstrated in 1D electrostatic and electromagnetic contexts. In this study, we build on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the Darwin field and particle orbit equations for multiple species in multiple dimensions. The Vlasov-Darwin model is very attractive for PIC simulations because it avoids radiative noise issues in non-radiative electromagnetic regimes. The algorithm conserves global energy, local charge, and particle canonical-momentum exactly, even with grid packing. The nonlinear iteration is effectively accelerated with a fluid preconditioner, which allows efficient use of large timesteps, O(√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D and 2D. Support from the LANL LDRD program and the DOE-SC ASCR office.

Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations

PubMed Central

2018-01-01

Ionic liquid crystals occupy an intriguing middle ground between room-temperature ionic liquids and mesostructured liquid crystals. Here, we examine a non-polarizable, fully atomistic model of the 1-alkyl-3-methylimidazolium nitrate family using molecular dynamics in the constant pressure–constant temperature ensemble. These materials exhibit a distinct “smectic” liquid phase, characterized by layers formed by the molecules, which separate the ionic and aliphatic moieties. In particular, we discuss the implications this layering may have for electrolyte applications. PMID:29301305

Alternative Fuels Data Center: Electric Vehicles Charge up at State Parks

Science.gov Websites

with free electric vehicle charging. For information about this project, contact State of West Virginia Vehicle Charging Aug. 4, 2017 Photo of a car Johnson Space Center Explores Alternative Fuel Vehicles May 19, 2017 Photo of a car. Electric Vehicle Charging Network Expands at National Parks May 11, 2017

"Fuel Gage" for Electric Vehicles

NASA Technical Reports Server (NTRS)

Rowlette, J. J.

1984-01-01

Gas-emmission and time-integrated-current measurements indicate battery charge state. Tests indicate possibility of monitoring state of charge of lead/acid batteries at any stage in charging cycle by measuring charging current and either gas evolution or electrode potential. Data then processed by microcomputer. Uses include cell voltage, cell pressure, cell temperature and rate of gas recombination on catalyst.

Highly charged ion beams and their applications

NASA Astrophysics Data System (ADS)

Marler, Joan

2018-01-01

While much previous work with highly charged ions has been performed with the ions in the plasma state in which they were formed, beams of highly charged ions hold promise for exciting new experiments. Specifically low energy beams with a high degree of charge state purity are a prerequisite for momentum resolved cross section measurements and for efficient loading of highly charged ions into UHV traps for spectroscopy. The Clemson University facility is optimized for the delivery of such beams of highly charged ions with low kinetic energies. Near term experiments include energy resolved charge exchange with neutral targets.

Dynamic and galvanic stability of stretchable supercapacitors.

PubMed

Li, Xin; Gu, Taoli; Wei, Bingqing

2012-12-12

Stretchable electronics are emerging as a new technological advancement, since they can be reversibly stretched while maintaining functionality. To power stretchable electronics, rechargeable and stretchable energy storage devices become a necessity. Here, we demonstrate a facile and scalable fabrication of full stretchable supercapacitor, using buckled single-walled carbon nanotube macrofilms as the electrodes, an electrospun membrane of elastomeric polyurethane as the separator, and an organic electrolyte. We examine the electrochemical performance of the fully stretchable supercapacitors under dynamic stretching/releasing modes in different stretching strain rates, which reveal the true performance of the stretchable cells, compared to the conventional method of testing the cells under a statically stretched state. In addition, the self-discharge of the supercapacitor and the electrochemical behavior under bending mode are also examined. The stretchable supercapacitors show excellent cyclic stability under electrochemical charge/discharge during in situ dynamic stretching/releasing.

Fluorinated Electrolytes for Li-S Battery: Suppressing the Self-Discharge with an Electrolyte Containing Fluoroether Solvent

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

Azimi, N.; Xue, Z.; Rago, N. D.

The fluorinated electrolyte containing a fluoroether 1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether (TTE) was investigated as a new electrolyte for lithium-sulfur (Li-S) batteries. The low solubility of lithium polysulfides (LiPS) in the fluorinated electrolyte reduced the parasitic reactions with Li anode and mitigated the self-discharge by limiting their diffusion from the cathode to the anode. The use of fluorinated ether as a co-solvent and LiNO3 as an additive in the electrolyte shows synergetic effect in suppressing the self-discharge of Li-S battery due to the formation of the solid electrolyte interphase (SEI) on both sulfur cathode and the lithium anode. The Li-S cell with themore » fluorinated electrolyte showed prolonged shelf life at fully charged state.« less

A coupled model of transport-reaction-mechanics with trapping. Part I - Small strain analysis

NASA Astrophysics Data System (ADS)

Salvadori, A.; McMeeking, R.; Grazioli, D.; Magri, M.

2018-05-01

A fully coupled model for mass and heat transport, mechanics, and chemical reactions with trapping is proposed. It is rooted in non-equilibrium rational thermodynamics and assumes that displacements and strains are small. Balance laws for mass, linear and angular momentum, energy, and entropy are stated. Thermodynamic restrictions are identified, based on an additive strain decomposition and on the definition of the Helmholtz free energy. Constitutive theory and chemical kinetics are studied in order to finally write the governing equations for the multi-physics problem. The field equations are solved numerically with the finite element method, stemming from a three-fields variational formulation. Three case-studies on vacancies redistribution in metals, hydrogen embrittlement, and the charge-discharge of active particles in Li-ion batteries demonstrate the features and the potential of the proposed model.

Shaping charge excitations in chiral edge states with a time-dependent gate voltage

NASA Astrophysics Data System (ADS)

Misiorny, Maciej; Fève, Gwendal; Splettstoesser, Janine

2018-02-01

We study a coherent conductor supporting a single edge channel in which alternating current pulses are created by local time-dependent gating and sent on a beam-splitter realized by a quantum point contact. The current response to the gate voltage in this setup is intrinsically linear. Based on a fully self-consistent treatment employing a Floquet scattering theory, we analyze the effect of different voltage shapes and frequencies, as well as the role of the gate geometry on the injected signal. In particular, we highlight the impact of frequency-dependent screening on the process of shaping the current signal. The feasibility of creating true single-particle excitations with this method is confirmed by investigating the suppression of excess noise, which is otherwise created by additional electron-hole pair excitations in the current signal.

Light-erasable embedded charge-trapping memory based on MoS2 for system-on-panel applications

NASA Astrophysics Data System (ADS)

He, Long-Fei; Zhu, Hao; Xu, Jing; Liu, Hao; Nie, Xin-Ran; Chen, Lin; Sun, Qing-Qing; Xia, Yang; Wei Zhang, David

2017-11-01

The continuous scaling and challenges in device integrations in modern portable electronic products have aroused many scientific interests, and a great deal of effort has been made in seeking solutions towards a more microminiaturized package assembled with smaller and more powerful components. In this study, an embedded light-erasable charge-trapping memory with a high-k dielectric stack (Al2O3/HfO2/Al2O3) and an atomically thin MoS2 channel has been fabricated and fully characterized. The memory exhibits a sufficient memory window, fast programming and erasing (P/E) speed, and high On/Off current ratio up to 107. Less than 25% memory window degradation is observed after projected 10-year retention, and the device functions perfectly after 8000 P/E operation cycles. Furthermore, the programmed device can be fully erased by incident light without electrical assistance. Such excellent memory performance originates from the intrinsic properties of two-dimensional (2D) MoS2 and the engineered back-gate dielectric stack. Our integration of 2D semiconductors in the infrastructure of light-erasable charge-trapping memory is very promising for future system-on-panel applications like storage of metadata and flexible imaging arrays.

Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

PubMed

Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

2008-11-01

Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

Relative Fluxes of Primary Particles in B-C-N-O Group from the ATIC Experiment (Science Flight)

NASA Technical Reports Server (NTRS)

Panov, A. D.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Chang, J.; Christl, M.; Fazely, A. R.; Ganel, O.; Gunashingha, R. M.; Guzik, T. G.;

High-latitude spacecraft charging in low-Earth polar orbit

NASA Astrophysics Data System (ADS)

Frooninckx, Thomas B.

Spacecraft charging within the upper ionosphere is commonly thought to be insignificant and thus has received little attention. Recent experimental evidence has shown that electric potential differences as severe as 680 volts can develop between Defense Meteorological Satellite Program (DMSP) polar-orbiting (840 kilometers) spacecraft and their high-latitude environment. To explore space vehicle charging in this region more fully, an analysis was performed using DMSP F6, F7, F8, and F9 satellite precipitating particle and ambient plasma measurements taken during the winters of 1986-87 (solar minimum) and 1989-90 (solar maximum). An extreme solar cycle dependence was discovered as charging occurred more frequently and with greater severity during the period of solar minimum. One hundred seventy charging events ranging from -46 to 1,430 volts were identified, and satellite measurements and Time Dependent Ionospheric Model (TDIM) output were used to characterize the environments which generated and inhibited these potentials. All current sources were considered to determine the cause of the solar cycle dependence.

Charged-particle therapy in cancer: clinical uses and future perspectives.

PubMed

Durante, Marco; Orecchia, Roberto; Loeffler, Jay S

2017-08-01

Radiotherapy with high-energy charged particles has become an attractive therapeutic option for patients with several tumour types because this approach better spares healthy tissue from radiation than conventional photon therapy. The cost associated with the delivery of charged particles, however, is higher than that of even the most elaborate photon-delivery technologies. Reliable evidence of the relative cost-effectiveness of both modalities can only come from the results of randomized clinical trials. Thus, the hurdles that currently limit direct comparisons of these two approaches in clinical trials, especially those related to insurance coverage, should be removed. Herein, we review several randomized trials of charged-particle therapies that are ongoing, with results that will enable selective delivery to patients who are most likely to benefit from them. We also discuss aspects related to radiobiology, including the immune response and hypoxia, which will need to be taken into consideration in future randomized trials to fully exploit the potential of charged particles.

Effects of surface charges of gold nanoclusters on long-term in vivo biodistribution, toxicity, and cancer radiation therapy.

PubMed

Wang, Jun-Ying; Chen, Jie; Yang, Jiang; Wang, Hao; Shen, Xiu; Sun, Yuan-Ming; Guo, Meili; Zhang, Xiao-Dong

2016-01-01

Gold nanoclusters (Au NCs) have exhibited great advantages in medical diagnostics and therapies due to their efficient renal clearance and high tumor uptake. The in vivo effects of the surface chemistry of Au NCs are important for the development of both nanobiological interfaces and potential clinical contrast reagents, but these properties are yet to be fully investigated. In this study, we prepared glutathione-protected Au NCs of a similar hydrodynamic size but with three different surface charges: positive, negative, and neutral. Their in vivo biodistribution, excretion, and toxicity were investigated over a 90-day period, and tumor uptake and potential application to radiation therapy were also evaluated. The results showed that the surface charge greatly influenced pharmacokinetics, particularly renal excretion and accumulation in kidney, liver, spleen, and testis. Negatively charged Au NCs displayed lower excretion and increased tumor uptake, indicating a potential for NC-based therapeutics, whereas positively charged clusters caused transient side effects on the peripheral blood system.

Structural and electrochemical properties of iron- and nickel-substituted Li2MnO3 cathodes in charged and discharged states

NASA Astrophysics Data System (ADS)

Yuge, Ryota; Kuroshima, Sadanori; Toda, Akio; Miyazaki, Takashi; Tabuchi, Mitsuharu; Doumae, Kyosuke; Shibuya, Hideka; Tamura, Noriyuki

2017-10-01

Structural change and the charge compensation mechanism of lithium-rich layered cathode (Li1.23Fe0.15Ni0.15Mn0.46O2) in charged and discharged states were investigated. Selected area electron diffraction analysis revealed that in discharged state, an initial structure composed of a single phase of monoclinic layered rock-salt changed to a mixture of hexagonal layered rock-salt and spinel-like structures. In charged state, the spinel-like phase became dominant as transition-metal ions migrate. 57Fe Mössbauer spectroscopy, X-ray absorption spectroscopy (XAS), and Soft-XAS showed that the valence of Fe and Ni ions approximately changed from Fe3+ to Fe3.2+ and Ni2+ to Ni3.5+ during charge-discharge, although Mn ions remained as Mn4+. Various oxidation states of oxide ions such as superoxide, peroxide, and hole states have also been detected in charged state. Considering that actual discharge capacity was 255 mAh/g, the contribution to charge compensation from the valence change of Fe and Ni ions was extremely small, and it only contributed to about one-third of total capacity. Therefore, the mechanism to yield high capacity of the Li1.23Fe0.15Ni0.15Mn0.46O2 cathode relates strongly to the redox reaction of oxide ions. Moreover, the decrease in capacity during charge-discharge cycling was mainly due to the irreversible redox reaction of Mn, Fe, and oxide ions.

Pion, Kaon, Proton and Antiproton Production in Proton-Proton Collisions

NASA Technical Reports Server (NTRS)

Norbury, John W.; Blattnig, Steve R.

2008-01-01

Inclusive pion, kaon, proton, and antiproton production from proton-proton collisions is studied at a variety of proton energies. Various available parameterizations of Lorentz-invariant differential cross sections as a function of transverse momentum and rapidity are compared with experimental data. The Badhwar and Alper parameterizations are moderately satisfactory for charged pion production. The Badhwar parameterization provides the best fit for charged kaon production. For proton production, the Alper parameterization is best, and for antiproton production the Carey parameterization works best. However, no parameterization is able to fully account for all the data.

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

A.L. Podkorytov; A.M. Kuznetsov; E.N. Dymchenko

This article examines the preparation of coke for blast-furnace smelting by a method that most fully meets the requirements of blast-furnace technology: screening of the -36 mm fraction, the separation of nut coke of the 15-36 mm fraction, and its charging into the furnace in a mixture with the iron-ore-bearing charge components. An analysis is made of trial use of coke of the Premium class on blast furnace No. 5 at the Enakievo Metallurgical Plant. Use of this coke makes it possible to reduce the consumption of skip coke by 3.2-4.1%.

Read-noise characterization of focal plane array detectors via mean-variance analysis.

PubMed

Sperline, R P; Knight, A K; Gresham, C A; Koppenaal, D W; Hieftje, G M; Denton, M B

2005-11-01

Mean-variance analysis is described as a method for characterization of the read-noise and gain of focal plane array (FPA) detectors, including charge-coupled devices (CCDs), charge-injection devices (CIDs), and complementary metal-oxide-semiconductor (CMOS) multiplexers (infrared arrays). Practical FPA detector characterization is outlined. The nondestructive readout capability available in some CIDs and FPA devices is discussed as a means for signal-to-noise ratio improvement. Derivations of the equations are fully presented to unify understanding of this method by the spectroscopic community.

Comparison of measurement methods for capacitive tactile sensors and their implementation

NASA Astrophysics Data System (ADS)

Tarapata, Grzegorz; Sienkiewicz, Rafał

2015-09-01

This paper presents a review of ideas and implementations of measurement methods utilized for capacity measurements in tactile sensors. The paper describes technical method, charge amplification method, generation and as well integration method. Three selected methods were implemented in dedicated measurement system and utilised for capacitance measurements of ourselves made tactile sensors. The tactile sensors tested in this work were fully fabricated with the inkjet printing technology. The tests result were presented and summarised. The charge amplification method (CDC) was selected as the best method for the measurement of the tactile sensors.

Binding of Daptomycin to Anionic Lipid Vesicles Is Reduced in the Presence of Lysyl-Phosphatidylglycerol

PubMed Central

Khatib, Tala O.; Stevenson, Heather; Yeaman, Michael R.; Bayer, Arnold S.

2016-01-01

The cytoplasmic membrane of Staphylococcus aureus contains ∼20 mol% of the net cationic lipid lysyl-phosphatidylglycerol (LPG). Elevated fractions of LPG are associated with increased resistance to cationic antibiotics, including the lipopeptide daptomycin (DAP). Although the surface charge of the bacterial cytoplasmic membrane is altered by LPG, surface binding of DAP was found to be only moderately affected in anionic vesicles containing 20 mol% LPG. These results suggest that charge repulsion cannot fully explain LPG-mediated resistance to cationic peptides. PMID:27216066

Implementation of the reduced charge state method of calculating impurity transport

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

Crume, E.C. Jr.; Arnurius, D.E.

1982-07-01

A recent review article by Hirshman and Sigmar includes expressions needed to calculate the parallel friction coefficients, the essential ingredients of the plateau-Pfirsch-Schluter transport coefficients, using the method of reduced charge states. These expressions have been collected and an expanded notation introduced in some cases to facilitate differentiation between reduced charge state and full charge state quantities. A form of the Coulomb logarithm relevant to the method of reduced charge states is introduced. This method of calculating the f/sub ij//sup ab/ has been implemented in the impurity transport simulation code IMPTAR and has resulted in an overall reduction in computationmore » time of approximately 25% for a typical simulation of impurity transport in the Impurity Study Experiment (ISX-B). Results obtained using this treatment are almost identical to those obtained using an earlier approximate theory of Hirshman.« less

Anomalous radiation effects in fully depleted SOI MOSFETs fabricated on SIMOX

NASA Astrophysics Data System (ADS)

Li, Ying; Niu, Guofu; Cressler, J. D.; Patel, J.; Marshall, C. J.; Marshall, P. W.; Kim, H. S.; Reed, R. A.; Palmer, M. J.

2001-12-01

We investigate the proton tolerance of fully depleted silicon-on-insulator (SOI) MOSFETs with H-gate and regular-gate structural configurations. For the front-gate characteristics, the H-gate does not show the edge leakage observed in the regular-gate transistor. An anomalous kink in the back-gate linear I/sub D/-V/sub GS/ characteristics of the fully depleted SOI nFETs has been observed at high radiation doses. This kink is attributed to charged traps generated in the bandgap at the buried oxide/silicon film interface during irradiation. Extensive two-dimensional simulations with MEDICI were used to understand the physical origin of this kink. We also report unusual self-annealing effects in the devices when they are cooled to liquid nitrogen temperature.

14 CFR 121.337 - Protective breathing equipment.

Code of Federal Regulations, 2010 CFR

2010-01-01

... REQUIREMENTS: DOMESTIC, FLAG, AND SUPPLEMENTAL OPERATIONS Instrument and Equipment Requirements § 121.337... systems other than chemical oxygen generators, there must be a means to allow the crew to readily... fully charged. (iv) For each chemical oxygen generator, the supply system equipment must meet the...

Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering.

PubMed

Lukman, Steven; Chen, Kai; Hodgkiss, Justin M; Turban, David H P; Hine, Nicholas D M; Dong, Shaoqiang; Wu, Jishan; Greenham, Neil C; Musser, Andrew J

2016-12-07

Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics.

Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering

PubMed Central

Lukman, Steven; Chen, Kai; Hodgkiss, Justin M.; Turban, David H. P.; Hine, Nicholas D. M.; Dong, Shaoqiang; Wu, Jishan; Greenham, Neil C.; Musser, Andrew J.

2016-01-01

Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics. PMID:27924819

Fully solution processed Al-TiO2-Si (MIS) structured photo-detector

NASA Astrophysics Data System (ADS)

Mondal, Sandip; Kumar, Arvind

2018-05-01

We demonstrate the fabrication of a high performance photo detector by fully solution processed technique. The detector is fabricated with photo sensitive, low temperature (200˚C) and sol-gel processed titanium dioxide (TiO2) dielectric material on silicon substrate in the form of MIS structure with top aluminum gate. The optical detection experiment is performed on Al—TiO2—Si (MIS) device by measuring the capacitance—voltage (CV at 100 kHz) curve within the visible region of light (365 — 700 nm). The presence of light shift the flat band voltage (VFB) from 290 mV to 360 mV due to the generation of photo activated charge carriers by UV (365 nm) and white light, respectively. Moreover, the generation of the charge carrier increases drastically by the combination of UV and white, which resulting as a very large shift (600 mV) in the VFB. The entire experiment was performed in normal lab conditions with open air environment, without any clean room facility.

Verification of a Remaining Flying Time Prediction System for Small Electric Aircraft

NASA Technical Reports Server (NTRS)

Hogge, Edward F.; Bole, Brian M.; Vazquez, Sixto L.; Celaya, Jose R.; Strom, Thomas H.; Hill, Boyd L.; Smalling, Kyle M.; Quach, Cuong C.

2015-01-01

This paper addresses the problem of building trust in online predictions of a battery powered aircraft's remaining available flying time. A set of ground tests is described that make use of a small unmanned aerial vehicle to verify the performance of remaining flying time predictions. The algorithm verification procedure described here uses a fully functional vehicle that is restrained to a platform for repeated run-to-functional-failure experiments. The vehicle under test is commanded to follow a predefined propeller RPM profile in order to create battery demand profiles similar to those expected in flight. The fully integrated aircraft is repeatedly operated until the charge stored in powertrain batteries falls below a specified lower-limit. The time at which the lower-limit on battery charge is crossed is then used to measure the accuracy of remaining flying time predictions. Accuracy requirements are considered in this paper for an alarm that warns operators when remaining flying time is estimated to fall below a specified threshold.

Fully solar-powered photoelectrochemical conversion for simultaneous energy storage and chemical sensing.

PubMed

Wang, Yongcheng; Tang, Jing; Peng, Zheng; Wang, Yuhang; Jia, Dingsi; Kong, Biao; Elzatahry, Ahmed A; Zhao, Dongyuan; Zheng, Gengfeng

2014-06-11

We report the development of a multifunctional, solar-powered photoelectrochemical (PEC)-pseudocapacitive-sensing material system for simultaneous solar energy conversion, electrochemical energy storage, and chemical detection. The TiO2 nanowire/NiO nanoflakes and the Si nanowire/Pt nanoparticle composites are used as photoanodes and photocathodes, respectively. A stable open-circuit voltage of ∼0.45 V and a high pseudocapacitance of up to ∼455 F g(-1) are obtained, which also exhibit a repeating charging-discharging capability. The PEC-pseudocapacitive device is fully solar powered, without the need of any external power supply. Moreover, this TiO2 nanowire/NiO nanoflake composite photoanode exhibits excellent glucose sensitivity and selectivity. Under the sun light illumination, the PEC photocurrent shows a sensitive increase upon different glucose additions. Meanwhile in the dark, the open-circuit voltage of the charged pseudocapacitor also exhibits a corresponding signal over glucose analyte, thus serving as a full solar-powered energy conversion-storage-utilization system.

Surface Induced Dissociation Yields Quaternary Substructure of Refractory Noncovalent Phosphorylase B and Glutamate Dehydrogenase Complexes

NASA Astrophysics Data System (ADS)

Ma, Xin; Zhou, Mowei; Wysocki, Vicki H.

2014-03-01

Ion mobility (IM) and tandem mass spectrometry (MS/MS) coupled with native MS are useful for studying noncovalent protein complexes. Collision induced dissociation (CID) is the most common MS/MS dissociation method. However, some protein complexes, including glycogen phosphorylase B kinase (PHB) and L-glutamate dehydrogenase (GDH) examined in this study, are resistant to dissociation by CID at the maximum collision energy available in the instrument. Surface induced dissociation (SID) was applied to dissociate the two refractory protein complexes. Different charge state precursor ions of the two complexes were examined by CID and SID. The PHB dimer was successfully dissociated to monomers and the GDH hexamer formed trimeric subcomplexes that are informative of its quaternary structure. The unfolding of the precursor and the percentages of the distinct products suggest that the dissociation pathways vary for different charge states. The precursors at lower charge states (+21 for PHB dimer and +27 for GDH hexamer) produce a higher percentage of folded fragments and dissociate more symmetrically than the precusors at higher charge states (+29 for PHB dimer and +39 for GDH hexamer). The precursors at lower charge state may be more native-like than the higher charge state because a higher percentage of folded fragments and a lower percentage of highly charged unfolded fragments are detected. The combination of SID and charge reduction is shown to be a powerful tool for quaternary structure analysis of refractory noncovalent protein complexes, as illustrated by the data for PHB dimer and GDH hexamer.

Fe II/Fe III mixed-valence state induced by Li-insertion into the metal-organic-framework Mil53(Fe): A DFT+U study

NASA Astrophysics Data System (ADS)

Combelles, C.; Ben Yahia, M.; Pedesseau, L.; Doublet, M.-L.

The iron-based metal-organic-framework MIL53(Fe) has recently been tested as a cathode materials for Li-Ion batteries, leading to promising cycling life and rate capability. Despite a poor capacity of 70 mAh g -1 associated with the exchange of almost 0.5Li/Fe, this result is the first evidence of a reversible lithium insertion never observed in a MOF system. In the present study, the MIL53(Fe) redox mechanism is investigated through first-principles DFT+U calculations. The results show that MIL53(Fe) is a weak antiferromagnetic charge transfer insulator at T = 0 K, with iron ions in the high-spin S = 5/2 state. Its reactivity vs elemental lithium is then investigated as a function of lithium composition and distribution over the most probable Li-sites of the MOF structure. The redox mechanism is fully interpreted as a two-step insertion/conversion mechanism, associated with the stabilization of the Fe 3+/Fe 2+ mixed-valence state prior to the complete decomposition of the inorganic-organic interactions within the porous MOF architecture.

Magnetic refrigeration capabilities of magnetocaloric Ni2Mn:75Cu:25Ga

NASA Astrophysics Data System (ADS)

Mishra, S. K.; Jenkins, C. A.; Dubenko, I.; Samanta, T.; Ali, N.; Roy, S.

2013-03-01

Doping-driven competition between energetically similar ground states leads to many exciting materials phenomena such as the emergence of high-Tc superconductivity, diluted magnetic semiconductors, and colossal magnetoresistance. Doped Ni2MnGa Heusler alloy, which is a multifunctional ferromagnetic alloy with various exotic physical properties demonstrates this notion of rich phenomenology via modified ground spin states. Adopting this generic concept, here we will present a novel doped Ni2Mn.75Cu.25Ga alloy that offers unprecedented co-existence of the magnetocaloric effect and fully controlled ferromagnetism at room temperature. Application of site engineering enables us to manipulate the ground spin state that leads to the decrease in magnetic transition temperature and also increases the delocalization of the Mn magnetism. SQUID magnetometery suggests that Cu doping enhances the saturation magnetization, coercive field and clarity of magnetic hysteresis loops. By exploiting x-ray absorption techniques and measuring element specific magnetic hysteresis loops, here we will describe the microscopic origin of enhnaced magnetocaloric properties and d-d interaction driven charge transfer effects in Ni2Mn.75Cu.25Ga This work was supported by DOE Grant No. DE-FG02-06ER46291

Measurement of CP observables in B± → D(*)K± and B± → D(*)π± decays

NASA Astrophysics Data System (ADS)

Aaij, R.; Adeva, B.; Adinolfi, M.; Ajaltouni, Z.; Akar, S.; Albrecht, J.; Alessio, F.; Alexander, M.; Alfonso Albero, A.; Ali, S.; Alkhazov, G.; Alvarez Cartelle, P.; Alves, A. A.; Amato, S.; Amerio, S.; Amhis, Y.; An, L.; Anderlini, L.; Andreassi, G.; Andreotti, M.; Andrews, J. E.; Appleby, R. B.; Archilli, F.; d'Argent, P.; Arnau Romeu, J.; Artamonov, A.; Artuso, M.; Aslanides, E.; Auriemma, G.; Baalouch, M.; Babuschkin, I.; Bachmann, S.; Back, J. J.; Badalov, A.; Baesso, C.; Baker, S.; Balagura, V.; Baldini, W.; Baranov, A.; Barlow, R. J.; Barschel, C.; Barsuk, S.; Barter, W.; Baryshnikov, F.; Batozskaya, V.; Battista, V.; Bay, A.; Beaucourt, L.; Beddow, J.; Bedeschi, F.; Bediaga, I.; Beiter, A.; Bel, L. J.; Beliy, N.; Bellee, V.; Belloli, N.; Belous, K.; Belyaev, I.; Ben-Haim, E.; Bencivenni, G.; Benson, S.; Beranek, S.; Berezhnoy, A.; Bernet, R.; Berninghoff, D.; Bertholet, E.; Bertolin, A.; Betancourt, C.; Betti, F.; Bettler, M.-O.; van Beuzekom, M.; Bezshyiko, Ia.; Bifani, S.; Billoir, P.; Birnkraut, A.; Bitadze, A.; Bizzeti, A.; Bjørn, M.; Blake, T.; Blanc, F.; Blouw, J.; Blusk, S.; Bocci, V.; Boettcher, T.; Bondar, A.; Bondar, N.; Bonivento, W.; Bordyuzhin, I.; Borgheresi, A.; Borghi, S.; Borisyak, M.; Borsato, M.; Bossu, F.; Boubdir, M.; Bowcock, T. J. V.; Bowen, E.; Bozzi, C.; Braun, S.; Britton, T.; Brodzicka, J.; Brundu, D.; Buchanan, E.; Burr, C.; Bursche, A.; Buytaert, J.; Byczynski, W.; Cadeddu, S.; Cai, H.; Calabrese, R.; Calladine, R.; Calvi, M.; Calvo Gomez, M.; Camboni, A.; Campana, P.; Campora Perez, D. H.; Capriotti, L.; Carbone, A.; Carboni, G.; Cardinale, R.; Cardini, A.; Carniti, P.; Carson, L.; Carvalho Akiba, K.; Casse, G.; Cassina, L.; Castillo Garcia, L.; Cattaneo, M.; Cavallero, G.; Cenci, R.; Chamont, D.; Charles, M.; Charpentier, Ph.; Chatzikonstantinidis, G.; Chefdeville, M.; Chen, S.; Cheung, S. F.; Chitic, S.-G.; Chobanova, V.; Chrzaszcz, M.; Chubykin, A.; Ciambrone, P.; Cid Vidal, X.; Ciezarek, G.; Clarke, P. E. L.; Clemencic, M.; Cliff, H. V.; Closier, J.; Cogan, J.; Cogneras, E.; Cogoni, V.; Cojocariu, L.; Collins, P.; Colombo, T.; Comerma-Montells, A.; Contu, A.; Cook, A.; Coombs, G.; Coquereau, S.; Corti, G.; Corvo, M.; Costa Sobral, C. M.; Couturier, B.; Cowan, G. A.; Craik, D. C.; Crocombe, A.; Cruz Torres, M.; Currie, R.; D'Ambrosio, C.; Da Cunha Marinho, F.; Dall'Occo, E.; Dalseno, J.; Davis, A.; De Aguiar Francisco, O.; De Capua, S.; De Cian, M.; De Miranda, J. M.; De Paula, L.; De Serio, M.; De Simone, P.; Dean, C. T.; Decamp, D.; Del Buono, L.; Dembinski, H.-P.; Demmer, M.; Dendek, A.; Derkach, D.; Deschamps, O.; Dettori, F.; Dey, B.; Di Canto, A.; Di Nezza, P.; Dijkstra, H.; Dordei, F.; Dorigo, M.; Dosil Suárez, A.; Douglas, L.; Dovbnya, A.; Dreimanis, K.; Dufour, L.; Dujany, G.; Durante, P.; Dzhelyadin, R.; Dziewiecki, M.; Dziurda, A.; Dzyuba, A.; Easo, S.; Ebert, M.; Egede, U.; Egorychev, V.; Eidelman, S.; Eisenhardt, S.; Eitschberger, U.; Ekelhof, R.; Eklund, L.; Ely, S.; Esen, S.; Evans, H. M.; Evans, T.; Falabella, A.; Farley, N.; Farry, S.; Fay, R.; Fazzini, D.; Federici, L.; Ferguson, D.; Fernandez, G.; Fernandez Declara, P.; Fernandez Prieto, A.; Ferrari, F.; Ferreira Rodrigues, F.; Ferro-Luzzi, M.; Filippov, S.; Fini, R. A.; Fiore, M.; Fiorini, M.; Firlej, M.; Fitzpatrick, C.; Fiutowski, T.; Fleuret, F.; Fohl, K.; Fontana, M.; Fontanelli, F.; Forshaw, D. C.; Forty, R.; Franco Lima, V.; Frank, M.; Frei, C.; Fu, J.; Funk, W.; Furfaro, E.; Färber, C.; Gabriel, E.; Gallas Torreira, A.; Galli, D.; Gallorini, S.; Gambetta, S.; Gandelman, M.; Gandini, P.; Gao, Y.; Garcia Martin, L. M.; García Pardiñas, J.; Garra Tico, J.; Garrido, L.; Garsed, P. J.; Gascon, D.; Gaspar, C.; Gavardi, L.; Gazzoni, G.; Gerick, D.; Gersabeck, E.; Gersabeck, M.; Gershon, T.; Ghez, Ph.; Gianì, S.; Gibson, V.; Girard, O. G.; Giubega, L.; Gizdov, K.; Gligorov, V. V.; Golubkov, D.; Golutvin, A.; Gomes, A.; Gorelov, I. V.; Gotti, C.; Govorkova, E.; Grabowski, J. P.; Graciani Diaz, R.; Granado Cardoso, L. A.; Graugés, E.; Graverini, E.; Graziani, G.; Grecu, A.; Greim, R.; Griffith, P.; Grillo, L.; Gruber, L.; Gruberg Cazon, B. R.; Grünberg, O.; Gushchin, E.; Guz, Yu.; Gys, T.; Göbel, C.; Hadavizadeh, T.; Hadjivasiliou, C.; Haefeli, G.; Haen, C.; Haines, S. C.; Hamilton, B.; Han, X.; Hancock, T. H.; Hansmann-Menzemer, S.; Harnew, N.; Harnew, S. T.; Harrison, J.; Hasse, C.; Hatch, M.; He, J.; Hecker, M.; Heinicke, K.; Heister, A.; Hennessy, K.; Henrard, P.; Henry, L.; van Herwijnen, E.; Heß, M.; Hicheur, A.; Hill, D.; Hombach, C.; Hopchev, P. H.; Huard, Z. C.; Hulsbergen, W.; Humair, T.; Hushchyn, M.; Hutchcroft, D.; Ibis, P.; Idzik, M.; Ilten, P.; Jacobsson, R.; Jalocha, J.; Jans, E.; Jawahery, A.; Jiang, F.; John, M.; Johnson, D.; Jones, C. R.; Joram, C.; Jost, B.; Jurik, N.; Kandybei, S.; Karacson, M.; Kariuki, J. M.; Karodia, S.; Kazeev, N.; Kecke, M.; Kelsey, M.; Kenzie, M.; Ketel, T.; Khairullin, E.; Khanji, B.; Khurewathanakul, C.; Kirn, T.; Klaver, S.; Klimaszewski, K.; Klimkovich, T.; Koliiev, S.; Kolpin, M.; Komarov, I.; Kopecna, R.; Koppenburg, P.; Kosmyntseva, A.; Kotriakhova, S.; Kozeiha, M.; Kravchuk, L.; Kreps, M.; Krokovny, P.; Kruse, F.; Krzemien, W.; Kucewicz, W.; Kucharczyk, M.; Kudryavtsev, V.; Kuonen, A. K.; Kurek, K.; Kvaratskheliya, T.; Lacarrere, D.; Lafferty, G.; Lai, A.; Lanfranchi, G.; Langenbruch, C.; Latham, T.; Lazzeroni, C.; Le Gac, R.; Leflat, A.; Lefrançois, J.; Lefèvre, R.; Lemaitre, F.; Lemos Cid, E.; Leroy, O.; Lesiak, T.; Leverington, B.; Li, P.-R.; Li, T.; Li, Y.; Li, Z.; Likhomanenko, T.; Lindner, R.; Lionetto, F.; Lisovskyi, V.; Liu, X.; Loh, D.; Loi, A.; Longstaff, I.; Lopes, J. H.; Lucchesi, D.; Lucio Martinez, M.; Luo, H.; Lupato, A.; Luppi, E.; Lupton, O.; Lusiani, A.; Lyu, X.; Machefert, F.; Maciuc, F.; Macko, V.; Mackowiak, P.; Maddrell-Mander, S.; Maev, O.; Maguire, K.; Maisuzenko, D.; Majewski, M. W.; Malde, S.; Malinin, A.; Maltsev, T.; Manca, G.; Mancinelli, G.; Manning, P.; Marangotto, D.; Maratas, J.; Marchand, J. F.; Marconi, U.; Marin Benito, C.; Marinangeli, M.; Marino, P.; Marks, J.; Martellotti, G.; Martin, M.; Martinelli, M.; Martinez Santos, D.; Martinez Vidal, F.; Martins Tostes, D.; Massacrier, L. M.; Massafferri, A.; Matev, R.; Mathad, A.; Mathe, Z.; Matteuzzi, C.; Mauri, A.; Maurice, E.; Maurin, B.; Mazurov, A.; McCann, M.; McNab, A.; McNulty, R.; Mead, J. V.; Meadows, B.; Meaux, C.; Meier, F.; Meinert, N.; Melnychuk, D.; Merk, M.; Merli, A.; Michielin, E.; Milanes, D. A.; Millard, E.; Minard, M.-N.; Minzoni, L.; Mitzel, D. S.; Mogini, A.; Molina Rodriguez, J.; Mombächer, T.; Monroy, I. A.; Monteil, S.; Morandin, M.; Morello, M. J.; Morgunova, O.; Moron, J.; Morris, A. B.; Mountain, R.; Muheim, F.; Mulder, M.; Müller, D.; Müller, J.; Müller, K.; Müller, V.; Naik, P.; Nakada, T.; Nandakumar, R.; Nandi, A.; Nasteva, I.; Needham, M.; Neri, N.; Neubert, S.; Neufeld, N.; Neuner, M.; Nguyen, T. D.; Nguyen-Mau, C.; Nieswand, S.; Niet, R.; Nikitin, N.; Nikodem, T.; Nogay, A.; O'Hanlon, D. P.; Oblakowska-Mucha, A.; Obraztsov, V.; Ogilvy, S.; Oldeman, R.; Onderwater, C. J. G.; Ossowska, A.; Otalora Goicochea, J. M.; Owen, P.; Oyanguren, A.; Pais, P. R.; Palano, A.; Palutan, M.; Papanestis, A.; Pappagallo, M.; Pappalardo, L. L.; Parker, W.; Parkes, C.; Passaleva, G.; Pastore, A.; Patel, M.; Patrignani, C.; Pearce, A.; Pellegrino, A.; Penso, G.; Pepe Altarelli, M.; Perazzini, S.; Perret, P.; Pescatore, L.; Petridis, K.; Petrolini, A.; Petrov, A.; Petruzzo, M.; Picatoste Olloqui, E.; Pietrzyk, B.; Pikies, M.; Pinci, D.; Pisani, F.; Pistone, A.; Piucci, A.; Placinta, V.; Playfer, S.; Plo Casasus, M.; Polci, F.; Poli Lener, M.; Poluektov, A.; Polyakov, I.; Polycarpo, E.; Pomery, G. J.; Ponce, S.; Popov, A.; Popov, D.; Poslavskii, S.; Potterat, C.; Price, E.; Prisciandaro, J.; Prouve, C.; Pugatch, V.; Puig Navarro, A.; Pullen, H.; Punzi, G.; Qian, W.; Quagliani, R.; Quintana, B.; Rachwal, B.; Rademacker, J. H.; Rama, M.; Ramos Pernas, M.; Rangel, M. S.; Raniuk, I.; Ratnikov, F.; Raven, G.; Ravonel Salzgeber, M.; Reboud, M.; Redi, F.; Reichert, S.; dos Reis, A. C.; Remon Alepuz, C.; Renaudin, V.; Ricciardi, S.; Richards, S.; Rihl, M.; Rinnert, K.; Rives Molina, V.; Robbe, P.; Robert, A.; Rodrigues, A. B.; Rodrigues, E.; Rodriguez Lopez, J. A.; Rodriguez Perez, P.; Rogozhnikov, A.; Roiser, S.; Rollings, A.; Romanovskiy, V.; Romero Vidal, A.; Ronayne, J. W.; Rotondo, M.; Rudolph, M. S.; Ruf, T.; Ruiz Valls, P.; Ruiz Vidal, J.; Saborido Silva, J. J.; Sadykhov, E.; Sagidova, N.; Saitta, B.; Salustino Guimaraes, V.; Sanchez Mayordomo, C.; Sanmartin Sedes, B.; Santacesaria, R.; Santamarina Rios, C.; Santimaria, M.; Santovetti, E.; Sarpis, G.; Sarti, A.; Satriano, C.; Satta, A.; Saunders, D. M.; Savrina, D.; Schael, S.; Schellenberg, M.; Schiller, M.; Schindler, H.; Schlupp, M.; Schmelling, M.; Schmelzer, T.; Schmidt, B.; Schneider, O.; Schopper, A.; Schreiner, H. F.; Schubert, K.; Schubiger, M.; Schune, M.-H.; Schwemmer, R.; Sciascia, B.; Sciubba, A.; Semennikov, A.; Sepulveda, E. S.; Sergi, A.; Serra, N.; Serrano, J.; Sestini, L.; Seyfert, P.; Shapkin, M.; Shapoval, I.; Shcheglov, Y.; Shears, T.; Shekhtman, L.; Shevchenko, V.; Siddi, B. G.; Silva Coutinho, R.; Silva de Oliveira, L.; Simi, G.; Simone, S.; Sirendi, M.; Skidmore, N.; Skwarnicki, T.; Smith, E.; Smith, I. T.; Smith, J.; Smith, M.; Soares Lavra, l.; Sokoloff, M. D.; Soler, F. J. P.; Souza De Paula, B.; Spaan, B.; Spradlin, P.; Sridharan, S.; Stagni, F.; Stahl, M.; Stahl, S.; Stefko, P.; Stefkova, S.; Steinkamp, O.; Stemmle, S.; Stenyakin, O.; Stepanova, M.; Stevens, H.; Stone, S.; Storaci, B.; Stracka, S.; Stramaglia, M. E.; Straticiuc, M.; Straumann, U.; Sun, L.; Sutcliffe, W.; Swientek, K.; Syropoulos, V.; Szczekowski, M.; Szumlak, T.; Szymanski, M.; T'Jampens, S.; Tayduganov, A.; Tekampe, T.; Tellarini, G.; Teubert, F.; Thomas, E.; van Tilburg, J.; Tilley, M. J.; Tisserand, V.; Tobin, M.; Tolk, S.; Tomassetti, L.; Tonelli, D.; Toriello, F.; Tourinho Jadallah Aoude, R.; Tournefier, E.; Traill, M.; Tran, M. T.; Tresch, M.; Trisovic, A.; Tsaregorodtsev, A.; Tsopelas, P.; Tully, A.; Tuning, N.; Ukleja, A.; Usachov, A.; Ustyuzhanin, A.; Uwer, U.; Vacca, C.; Vagner, A.; Vagnoni, V.; Valassi, A.; Valat, S.; Valenti, G.; Vazquez Gomez, R.; Vazquez Regueiro, P.; Vecchi, S.; van Veghel, M.; Velthuis, J. J.; Veltri, M.; Veneziano, G.; Venkateswaran, A.; Verlage, T. A.; Vernet, M.; Vesterinen, M.; Viana Barbosa, J. V.; Viaud, B.; Vieira, D.; Vieites Diaz, M.; Viemann, H.; Vilasis-Cardona, X.; Vitti, M.; Volkov, V.; Vollhardt, A.; Voneki, B.; Vorobyev, A.; Vorobyev, V.; Voß, C.; de Vries, J. A.; Vázquez Sierra, C.; Waldi, R.; Wallace, C.; Wallace, R.; Walsh, J.; Wang, J.; Ward, D. R.; Wark, H. M.; Watson, N. K.; Websdale, D.; Weiden, A.; Whitehead, M.; Wicht, J.; Wilkinson, G.; Wilkinson, M.; Williams, M.; Williams, M. P.; Williams, M.; Williams, T.; Wilson, F. F.; Wimberley, J.; Winn, M.; Wishahi, J.; Wislicki, W.; Witek, M.; Wormser, G.; Wotton, S. A.; Wraight, K.; Wyllie, K.; Xie, Y.; Xu, Z.; Yang, Z.; Yang, Z.; Yao, Y.; Yin, H.; Yu, J.; Yuan, X.; Yushchenko, O.; Zarebski, K. A.; Zavertyaev, M.; Zhang, L.; Zhang, Y.; Zhelezov, A.; Zheng, Y.; Zhu, X.; Zhukov, V.; Zonneveld, J. B.; Zucchelli, S.; LHCb Collaboration

2018-02-01

Measurements of CP observables in B± →D (*)K± and B± →D (*)π± decays are presented, where D (*) indicates a neutral D or D* meson that is an admixture of D (*) 0 and D bar (*) 0 states. Decays of the D* meson to the Dπ0 and Dγ final states are partially reconstructed without inclusion of the neutral pion or photon, resulting in distinctive shapes in the B candidate invariant mass distribution. Decays of the D meson are fully reconstructed in the K±π∓, K+K- and π+π- final states. The analysis uses a sample of charged B mesons produced in pp collisions collected by the LHCb experiment, corresponding to an integrated luminosity of 2.0, 1.0 and 2.0 fb-1 taken at centre-of-mass energies of √{ s } = 7, 8 and 13 TeV, respectively. The study of B± →D*K± and B± →D*π± decays using a partial reconstruction method is the first of its kind, while the measurement of B± → DK± and B± → Dπ± decays is an update of previous LHCb measurements. The B± → DK± results are the most precise to date.

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

Bouchard, Chris; Chang, Chia Cheng; Kurth, Thorsten

In this paper, the Feynman-Hellmann theorem can be derived from the long Euclidean-time limit of correlation functions determined with functional derivatives of the partition function. Using this insight, we fully develop an improved method for computing matrix elements of external currents utilizing only two-point correlation functions. Our method applies to matrix elements of any external bilinear current, including nonzero momentum transfer, flavor-changing, and two or more current insertion matrix elements. The ability to identify and control all the systematic uncertainties in the analysis of the correlation functions stems from the unique time dependence of the ground-state matrix elements and the fact that all excited states and contact terms are Euclidean-time dependent. We demonstrate the utility of our method with a calculation of the nucleon axial charge using gradient-flowed domain-wall valence quarks on themore » $$N_f=2+1+1$$ MILC highly improved staggered quark ensemble with lattice spacing and pion mass of approximately 0.15 fm and 310 MeV respectively. We show full control over excited-state systematics with the new method and obtain a value of $$g_A = 1.213(26)$$ with a quark-mass-dependent renormalization coefficient.« less

Nickel-Hydrogen Battery Fault Clearing at Low State of Charge

NASA Technical Reports Server (NTRS)

Lurie, C.

1997-01-01

Fault clearing currents were achieved and maintained at discharge rates from C/2 to C/3 at high and low states of charge. The fault clearing plateau voltage is strong function of: discharge current, and voltage-prior-to-the-fault-clearing-event and a weak function of state of charge. Voltage performance, for the range of conditions reported, is summarized.

Evaluation of several state-of-charge algorithms

NASA Astrophysics Data System (ADS)

Espinosa, J. M.; Martin, M. E.; Burke, A. F.

1988-09-01

One of the important needs in marketing an electric vehicle is a device which reliably indicates battery state-of-charge for all types of driving. The purpose of the state-of-charge indicator is analogous to a gas gauge in an internal combustion engine powered vehicle. Many different approaches have been tried to accurately predict battery state-of-charge. This report evaluates several of these approaches. Four different algorithms were implemented into software on an IBM PC and tested using a battery test database for ALCO 2200 lead-acid batteries generated at the INEL. The database was obtained under controlled conditions which compare with the battery response in real EV use. Each algorithm is described in detail as to theory and operational functionality. Also discussed is the hardware and data requirements particular to implementing the individual algorithms. The algorithms were evaluated for accuracy using constant power, stepped power, and simulated vehicle (SFUDS79) discharge profiles. Attempts were made to explain the cause of differences between the predicted and actual state-of-charge and to provide possible remedies to correct them. Recommendations for future work on battery state-of-charge indicators are presented that utilize the hardware and software now in place in the INEL Battery Laboratory.

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

Fang, Li; Xiong, Hui; Kukk, Edwin

Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up tomore » 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.« less

Defect charge states in Si doped hexagonal boron-nitride monolayer

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Andrew, R. C.; Chetty, N.

2016-02-01

We perform ab initio density functional theory calculations to investigate the energetics, electronic and magnetic properties of isolated stoichiometric and non-stoichiometric substitutional Si complexes in a hexagonal boron-nitride monolayer. The Si impurity atoms substituting the boron atom sites SiB giving non-stoichiometric complexes are found to be the most energetically favourable, and are half-metallic and order ferromagnetically in the neutral charge state. We find that the magnetic moments and magnetization energies increase monotonically when Si defects form a cluster. Partial density of states and standard Mulliken population analysis indicate that the half-metallic character and magnetic moments mainly arise from the Si 3p impurity states. The stoichiometric Si complexes are energetically unfavorable and non-magnetic. When charging the energetically favourable non-stoichiometric Si complexes, we find that the formation energies strongly depend on the impurity charge states and Fermi level position. We also find that the magnetic moments and orderings are tunable by charge state modulation q  =  -2, -1, 0, +1, +2. The induced half-metallic character is lost (retained) when charging isolated (clustered) Si defect(s). This underlines the potential of a Si doped hexagonal boron-nitride monolayer for novel spin-based applications.

Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells.

PubMed

Yan, Yaming; Song, Linze; Shi, Qiang

2018-02-28

By employing several lattice model systems, we investigate the free energy barrier and real-time dynamics of charge separation in organic photovoltaic (OPV) cells. It is found that the combined effects of the external electric field, entropy, and charge delocalization reduce the free energy barrier significantly. The dynamic disorder reduces charge carrier delocalization and results in the increased charge separation barrier, while the effect of static disorder is more complicated. Simulation of the real-time dynamics indicates that the free charge generation process involves multiple time scales, including an ultrafast component within hundreds of femtoseconds, an intermediate component related to the relaxation of the hot charge transfer (CT) state, and a slow component on the time scale of tens of picoseconds from the thermally equilibrated CT state. Effects of hot exciton dissociation as well as its dependence on the energy offset between the Frenkel exciton and the CT state are also analyzed. The current results indicate that only a small energy offset between the band gap and the lowest energy CT state is needed to achieve efficient free charge generation in OPV devices, which agrees with recent experimental findings.

Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Yan, Yaming; Song, Linze; Shi, Qiang

2018-02-01

By employing several lattice model systems, we investigate the free energy barrier and real-time dynamics of charge separation in organic photovoltaic (OPV) cells. It is found that the combined effects of the external electric field, entropy, and charge delocalization reduce the free energy barrier significantly. The dynamic disorder reduces charge carrier delocalization and results in the increased charge separation barrier, while the effect of static disorder is more complicated. Simulation of the real-time dynamics indicates that the free charge generation process involves multiple time scales, including an ultrafast component within hundreds of femtoseconds, an intermediate component related to the relaxation of the hot charge transfer (CT) state, and a slow component on the time scale of tens of picoseconds from the thermally equilibrated CT state. Effects of hot exciton dissociation as well as its dependence on the energy offset between the Frenkel exciton and the CT state are also analyzed. The current results indicate that only a small energy offset between the band gap and the lowest energy CT state is needed to achieve efficient free charge generation in OPV devices, which agrees with recent experimental findings.

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

Behaviour of one-step spray-coated carbon nanotube supercapacitor in ambient light harvester circuit with printed organic solar cell and electrochromic display.

PubMed

Tuukkanen, Sampo; Välimäki, Marja; Lehtimäki, Suvi; Vuorinen, Tiina; Lupo, Donald

2016-03-09

A printed energy harvesting and storage circuit powered by ambient office lighting and its use to power a printed display is reported. The autonomous device is composed of three printed electronic components: an organic photovoltaic module, a carbon-nanotubes-only supercapacitor and an electrochromic display element. Components are fabricated from safe and environmentally friendly materials, and have been fabricated using solution processing methods, which translate into low-cost and high-throughput manufacturing. A supercapacitor made of spray-coated carbon nanotube based ink and aqueous NaCl electrolyte was charged using a printed organic photovoltaic module exposed to office lighting conditions. The supercapacitor charging rate, self-discharge rate and display operation were studied in detail. The supercapacitor self-discharge rate was found to depend on the charging rate. The fully charged supercapacitor was used as a power source to run the electrochromic display over 50 times.

Carrier transport and collection in fully depleted semiconductors by a combined action of the space charge field and the field due to electrode voltages

DOEpatents

Rehak, P.; Gatti, E.

1984-02-24

A semiconductor charge transport device and method for making same, characterized by providing a thin semiconductor wafer having rectifying functions on its opposing major surfaces and including a small capacitance ohmic contact, in combination with bias voltage means and associated circuit means for applying a predetermined voltage to effectively deplete the wafer in regions thereof between the rectifying junctions and the ohmic contact. A charge transport device of the invention is usable as a drift chamber, a low capacitance detector, or a charge coupled device each constructed according to the methods of the invention for making such devices. Detectors constructed according to the principles of the invention are characterized by having significantly higher particle position indicating resolution than is attainable with prior art detectors, while at the same time requiring substantially fewer readout channels to realize such high resolution.

Carrier transport and collection in fully depleted semiconductors by a combined action of the space charge field and the field due to electrode voltages

DOEpatents

Rehak, Pavel; Gatti, Emilio

1987-01-01

A semiconductor charge transport device and method for making same, characterized by providing a thin semiconductor wafer having rectifying junctions on its opposing major surfaces and including a small capacitance ohmic contact, in combination with bias voltage means and associated circuit means for applying a predetermined voltage to effectively deplete the wafer in regions thereof between the rectifying junctions and the ohmic contact. A charge transport device of the invention is usable as a drift chamber, a low capacitance detector, or a charge coupled device each constructed according to the methods of the invention for making such devices. Detectors constructed according to the principles of the invention are characterized by having significantly higher particle position indicating resolution than is attainable with prior art detectors, while at the same time requiring substantially fewer readout channels to realize such high resolution.

Carrier transport and collection in fully depleted semiconductors by a combined action of the space charge field and the field due to electrode voltages

DOEpatents

Rehak, P.; Gatti, E.

1987-08-18

A semiconductor charge transport device and method for making same are disclosed, characterized by providing a thin semiconductor wafer having rectifying junctions on its opposing major surfaces and including a small capacitance ohmic contact, in combination with bias voltage means and associated circuit means for applying a predetermined voltage to effectively deplete the wafer in regions thereof between the rectifying junctions and the ohmic contact. A charge transport device of the invention is usable as a drift chamber, a low capacitance detector, or a charge coupled device each constructed according to the methods of the invention for making such devices. Detectors constructed according to the principles of the invention are characterized by having significantly higher particle position indicating resolution than is attainable with prior art detectors, while at the same time requiring substantially fewer readout channels to realize such high resolution. 16 figs.

Anomalous-hydrodynamic analysis of charge-dependent elliptic flow in heavy-ion collisions

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

Hongo, Masaru; Hirono, Yuji; Hirano, Tetsufumi

Anomalous hydrodynamics is a low-energy effective theory that captures effects of quantum anomalies. We develop a numerical code of anomalous hydrodynamics and apply it to dynamics of heavy-ion collisions, where anomalous transports are expected to occur. This is the first attempt to perform fully non-linear numerical simulations of anomalous hydrodynamics. We discuss implications of the simulations for possible experimental observations of anomalous transport effects. From analyses of the charge-dependent elliptic flow parameters (vmore » $$±\\atop{2}$$) as a function of the net charge asymmetry A ±, we find that the linear dependence of Δv$$±\\atop{2}$$ ≡ v$$-\\atop{2}$$ - v$$+\\atop{2}$$ on the net charge asymmetry A ± cannot be regarded as a robust signal of anomalous transports, contrary to previous studies. We, however, find that the intercept Δv$$±\\atop{2}$$ (A ± = 0) is sensitive to anomalous transport effects.« less

Anomalous-hydrodynamic analysis of charge-dependent elliptic flow in heavy-ion collisions

DOE PAGES

Hongo, Masaru; Hirono, Yuji; Hirano, Tetsufumi

2017-12-10

Anomalous hydrodynamics is a low-energy effective theory that captures effects of quantum anomalies. We develop a numerical code of anomalous hydrodynamics and apply it to dynamics of heavy-ion collisions, where anomalous transports are expected to occur. This is the first attempt to perform fully non-linear numerical simulations of anomalous hydrodynamics. We discuss implications of the simulations for possible experimental observations of anomalous transport effects. From analyses of the charge-dependent elliptic flow parameters (vmore » $$±\\atop{2}$$) as a function of the net charge asymmetry A ±, we find that the linear dependence of Δv$$±\\atop{2}$$ ≡ v$$-\\atop{2}$$ - v$$+\\atop{2}$$ on the net charge asymmetry A ± cannot be regarded as a robust signal of anomalous transports, contrary to previous studies. We, however, find that the intercept Δv$$±\\atop{2}$$ (A ± = 0) is sensitive to anomalous transport effects.« less

Extremely Stable Polypyrrole Achieved via Molecular Ordering for Highly Flexible Supercapacitors.

PubMed

Huang, Yan; Zhu, Minshen; Pei, Zengxia; Huang, Yang; Geng, Huiyuan; Zhi, Chunyi

2016-01-27

The cycling stability of flexible supercapacitors with conducting polymers as electrodes is limited by the structural breakdown arising from repetitive counterion flow during charging/discharging. Supercapacitors made of facilely electropolymerized polypyrrole (e-PPy) have ultrahigh capacitance retentions of more than 97, 91, and 86% after 15000, 50000, and 100000 charging/discharging cycles, respectively, and can sustain more than 230000 charging/discharging cycles with still approximately half of the initial capacitance retained. To the best of our knowledge, such excellent long-term cycling stability was never reported. The fully controllable electropolymerization shows superiority in molecular ordering, favoring uniform stress distribution and charge transfer. Being left at ambient conditions for even 8 months, e-PPy supercapacitors completely retain the good electrochemical performance. The extremely stable supercapacitors with excellent flexibility and scalability hold considerable promise for the commerical application of flexible and wearable electronics.

Effects of external stress field on the charge stability of nitrogen vacancy centers in diamond

NASA Astrophysics Data System (ADS)

Yao, Miao-Miao; Zhu, Tian-Yuan; Shu, Da-Jun

2017-07-01

The interaction of the atom-like defects in semiconductors with external fields provides an avenue to quantum information processing and nanoscale sensors. Meanwhile, external fields may induce instability of the desired charge state of the defects. It is essential to understand how the charge state of a defect is affected by external fields that introduced in diverse applications. In this letter, we explore the stability of the negatively charged state (NV-) and the neutral state (NV0) of the nitrogen vacancy (NV) center in diamond under stress by first-principles calculations. We find that the relative stability of NV- to NV0 is always reduced by the stress if the NV center is free to relax its orientation. Once the NV center has formed and retains its orientation, however, the relative stability of NV- can be always enhanced by compressive stress along its trigonal symmetry axis. We believe that the results are not only significant for control of the charge stability of NV center but also enlightening for applications based on specific charge states of other kinds of defects in the stress field.

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

Implicit and explicit host effects on excitons in pentacene derivatives.

PubMed

Charlton, R J; Fogarty, R M; Bogatko, S; Zuehlsdorff, T J; Hine, N D M; Heeney, M; Horsfield, A P; Haynes, P D

2018-03-14

An ab initio study of the effects of implicit and explicit hosts on the excited state properties of pentacene and its nitrogen-based derivatives has been performed using ground state density functional theory (DFT), time-dependent DFT, and ΔSCF. We observe a significant solvatochromic redshift in the excitation energy of the lowest singlet state (S 1 ) of pentacene from inclusion in a p-terphenyl host compared to vacuum; for an explicit host consisting of six nearest neighbour p-terphenyls, we obtain a redshift of 65 meV while a conductor-like polarisable continuum model (CPCM) yields a 78 meV redshift. Comparison is made between the excitonic properties of pentacene and four of its nitrogen-based analogs, 1,8-, 2,9-, 5,12-, and 6,13-diazapentacene with the latter found to be the most distinct due to local distortions in the ground state electronic structure. We observe that a CPCM is insufficient to fully understand the impact of the host due to the presence of a mild charge-transfer (CT) coupling between the chromophore and neighbouring p-terphenyls, a phenomenon which can only be captured using an explicit model. The strength of this CT interaction increases as the nitrogens are brought closer to the central acene ring of pentacene.

Implicit and explicit host effects on excitons in pentacene derivatives

NASA Astrophysics Data System (ADS)

Charlton, R. J.; Fogarty, R. M.; Bogatko, S.; Zuehlsdorff, T. J.; Hine, N. D. M.; Heeney, M.; Horsfield, A. P.; Haynes, P. D.

2018-03-01

An ab initio study of the effects of implicit and explicit hosts on the excited state properties of pentacene and its nitrogen-based derivatives has been performed using ground state density functional theory (DFT), time-dependent DFT, and ΔSCF. We observe a significant solvatochromic redshift in the excitation energy of the lowest singlet state (S1) of pentacene from inclusion in a p-terphenyl host compared to vacuum; for an explicit host consisting of six nearest neighbour p-terphenyls, we obtain a redshift of 65 meV while a conductor-like polarisable continuum model (CPCM) yields a 78 meV redshift. Comparison is made between the excitonic properties of pentacene and four of its nitrogen-based analogs, 1,8-, 2,9-, 5,12-, and 6,13-diazapentacene with the latter found to be the most distinct due to local distortions in the ground state electronic structure. We observe that a CPCM is insufficient to fully understand the impact of the host due to the presence of a mild charge-transfer (CT) coupling between the chromophore and neighbouring p-terphenyls, a phenomenon which can only be captured using an explicit model. The strength of this CT interaction increases as the nitrogens are brought closer to the central acene ring of pentacene.

Method and apparatus for clockless analog-to-digital conversion and peak detection

DOEpatents

DeGeronimo, Gianluigi

2007-03-06

An apparatus and method for analog-to-digital conversion and peak detection includes at least one stage, which includes a first switch, second switch, current source or capacitor, and discriminator. The discriminator changes state in response to a current or charge associated with the input signal exceeding a threshold, thereby indicating whether the current or charge associated with the input signal is greater than the threshold. The input signal includes a peak or a charge, and the converter includes a peak or charge detect mode in which a state of the switch is retained in response to a decrease in the current or charge associated with the input signal. The state of the switch represents at least a portion of a value of the peak or of the charge.

Start-up capabilities of photovoltaic module for the International Space Station

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

Hajela, G.; Hague, L.

1997-12-31

The International Space Station (ISS) uses four photovoltaic modules (PVMs) to supply electric power for the US On-Orbit Segment (USOS). The ISS is assembled on orbit over a period of about 5 years and over 40 stages. PVMs are launched and integrated with the ISS at different times during the ISS assembly. During early stages, the electric power is provided by the integrated truss segment (ITS) P6; subsequently, ITS P4, S4, and S6 are launched. PVMs are launched into space in the National Space Transportation System (NSTS) cargo bay. Each PVM consists of two independent power channels. The NSTS docksmore » with the ISS, the PVM is removed from the cargo bay and installed on the ISS. At this stage the PVM is in stowed configuration and its batteries are in fully discharged state. The start-up consists of initialization and checkout of all hardware, deployment of SAW and photovoltaic radiator (PVR), thermal conditioning batteries, and charging batteries; not necessarily in the same order for all PVMs. PVMs are designed to be capable of on-orbit start-up, within a specified time period, when external power is applied to a specified electrical interface. This paper describes the essential steps required for PVM start-up and how these operations are performed for various PVMs. The integrated operations scenarios (IOS) prepared by the NASA, Johnson Space Center, details specific procedures and timelines for start-up of each PVM. The paper describes how dormant batteries are brought to their normal operating temperature range and then charged to 100% state of charge (SOC). Total time required to complete start-up is computed and compared to the IOS timelines. External power required during start-up is computed and compared to the requirements and/or available power on ISS. Also described is how these start-up procedures can be adopted for restart of PVMs when required.« less

Charge separation and charge delocalization identified in long-living states of photoexcited DNA

PubMed Central

Bucher, Dominik B.; Pilles, Bert M.; Carell, Thomas; Zinth, Wolfgang

2014-01-01

Base stacking in DNA is related to long-living excited states whose molecular nature is still under debate. To elucidate the molecular background we study well-defined oligonucleotides with natural bases, which allow selective UV excitation of one single base in the strand. IR probing in the picosecond regime enables us to dissect the contribution of different single bases to the excited state. All investigated oligonucleotides show long-living states on the 100-ps time scale, which are not observable in a mixture of single bases. The fraction of these states is well correlated with the stacking probabilities and reaches values up to 0.4. The long-living states show characteristic absorbance bands that can be assigned to charge-transfer states by comparing them to marker bands of radical cation and anion spectra. The charge separation is directed by the redox potential of the involved bases and thus controlled by the sequence. The spatial dimension of this charge separation was investigated in longer oligonucleotides, where bridging sequences separate the excited base from a sensor base with a characteristic marker band. After excitation we observe a bleach of all involved bases. The contribution of the sensor base is observable even if the bridge is composed of several bases. This result can be explained by a charge delocalization along a well-stacked domain in the strand. The presence of charged radicals in DNA strands after light absorption may cause reactions—oxidative or reductive damage—currently not considered in DNA photochemistry. PMID:24616517

Basic Student Charges at Postsecondary Institutions: Academic Year 1992-93. Tuition and Required Fees and Room and Board Charges at 4-year, 2-year, and Public Less-than-2-year Institutions. Statistical Analysis Report.

ERIC Educational Resources Information Center

Broyles, Susan G.; Morgan, Frank B.

This report lists the typical tuition and required fees and room and board charges for academic year 1992-93 at nearly 5,000 4-year, 2-year, and public less-than-2-year postsecondary institutions in the United States and its outlying areas. Included are tuition and fee charges to in-state and out-of-state students at the undergraduate and graduate…

Molecular control of pentacene/ZnO photoinduced charge transfer

NASA Astrophysics Data System (ADS)

Spalenka, Josef W.; Paoprasert, Peerasak; Franking, Ryan; Hamers, Robert J.; Gopalan, Padma; Evans, Paul G.

2011-03-01

Photoinduced charge transfer modifies the device properties of illuminated pentacene field effect transistors (FETs) incorporating ZnO quantum dots at the gate insulator/pentacene interface. The transferred charge is trapped on electronic states associated with the ZnO quantum dots, with a steady state population approximately proportional to the rate of organic-inorganic charge transfer. Trapped charge shifts the threshold voltage of the FETs, providing the means to evaluate the rate of organic/inorganic charge transfer and the effects of interface modification. Monolayers of the wide-gap alkane stearic acid and the conjugated oligomer terthiophene attached to the ZnO suppress or permit charge transfer, respectively.

Salt Bridge Rearrangement (SaBRe) Explains the Dissociation Behavior of Noncovalent Complexes

NASA Astrophysics Data System (ADS)

Loo, Rachel R. Ogorzalek; Loo, Joseph A.

2016-06-01

Native electrospray ionization-mass spectrometry, with gas-phase activation and solution compositions that partially release subcomplexes, can elucidate topologies of macromolecular assemblies. That so much complexity can be preserved in gas-phase assemblies is remarkable, although a long-standing conundrum has been the differences between their gas- and solution-phase decompositions. Collision-induced dissociation of multimeric noncovalent complexes typically distributes products asymmetrically (i.e., by ejecting a single subunit bearing a large percentage of the excess charge). That unexpected behavior has been rationalized as one subunit "unfolding" to depart with more charge. We present an alternative explanation based on heterolytic ion-pair scission and rearrangement, a mechanism that inherently partitions charge asymmetrically. Excessive barriers to dissociation are circumvented in this manner, when local charge rearrangements access a lower-barrier surface. An implication of this ion pair consideration is that stability differences between high- and low-charge state ions usually attributed to Coulomb repulsion may, alternatively, be conveyed by attractive forces from ion pairs (salt bridges) stabilizing low-charge state ions. Should the number of ion pairs be roughly inversely related to charge, symmetric dissociations would be favored from highly charged complexes, as observed. Correlations between a gas-phase protein's size and charge reflect the quantity of restraining ion pairs. Collisionally-facilitated salt bridge rearrangement (SaBRe) may explain unusual size "contractions" seen for some activated, low charge state complexes. That some low-charged multimers preferentially cleave covalent bonds or shed small ions to disrupting noncovalent associations is also explained by greater ion pairing in low charge state complexes.

Salt Bridge Rearrangement (SaBRe) Explains the Dissociation Behavior of Noncovalent Complexes.

PubMed

Loo, Rachel R Ogorzalek; Loo, Joseph A

2016-06-01

Native electrospray ionization-mass spectrometry, with gas-phase activation and solution compositions that partially release subcomplexes, can elucidate topologies of macromolecular assemblies. That so much complexity can be preserved in gas-phase assemblies is remarkable, although a long-standing conundrum has been the differences between their gas- and solution-phase decompositions. Collision-induced dissociation of multimeric noncovalent complexes typically distributes products asymmetrically (i.e., by ejecting a single subunit bearing a large percentage of the excess charge). That unexpected behavior has been rationalized as one subunit "unfolding" to depart with more charge. We present an alternative explanation based on heterolytic ion-pair scission and rearrangement, a mechanism that inherently partitions charge asymmetrically. Excessive barriers to dissociation are circumvented in this manner, when local charge rearrangements access a lower-barrier surface. An implication of this ion pair consideration is that stability differences between high- and low-charge state ions usually attributed to Coulomb repulsion may, alternatively, be conveyed by attractive forces from ion pairs (salt bridges) stabilizing low-charge state ions. Should the number of ion pairs be roughly inversely related to charge, symmetric dissociations would be favored from highly charged complexes, as observed. Correlations between a gas-phase protein's size and charge reflect the quantity of restraining ion pairs. Collisionally-facilitated salt bridge rearrangement (SaBRe) may explain unusual size "contractions" seen for some activated, low charge state complexes. That some low-charged multimers preferentially cleave covalent bonds or shed small ions to disrupting noncovalent associations is also explained by greater ion pairing in low charge state complexes. Graphical Abstract ᅟ.

Field-induced exciton dissociation in PTB7-based organic solar cells

NASA Astrophysics Data System (ADS)

Gerhard, Marina; Arndt, Andreas P.; Bilal, Mühenad; Lemmer, Uli; Koch, Martin; Howard, Ian A.

2017-05-01

The physics of charge separation in organic semiconductors is a topic of ongoing research of relevance to material and device engineering. Herein, we present experimental observations of the field and temperature dependence of charge separation from singlet excitons in PTB7 and PC71BM , and from charge-transfer states created across interfaces in PTB 7 /PC71BM bulk heterojunction solar cells. We obtain this experimental data by time-resolving the near infrared emission of the states from 10 K to room temperature and electric fields from 0 to 2.5 MVcm -1 . Examining how the luminescence is quenched by field and temperature gives direct insight into the underlying physics. We observe that singlet excitons can be split by high fields, and that disorder broadens the high threshold fields needed to split the excitons. Charge-transfer (CT) states, on the other hand, can be separated by both field and temperature. Also, the data imply a strong reduction of the activation barrier for charge splitting from the CT state relative to the exciton state. The observations provided herein of the field-dependent separation of CT states as a function of temperature offer a rich data set against which theoretical models of charge separation can be rigorously tested; it should be useful for developing the more advanced theoretical models of charge separation.

Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies.

PubMed

Bardhan, Jaydeep P; Jungwirth, Pavel; Makowski, Lee

2012-09-28

Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular "linear response" model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution).

Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies

PubMed Central

Bardhan, Jaydeep P.; Jungwirth, Pavel; Makowski, Lee

2012-01-01

Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular “linear response” model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution). PMID:23020318

Charge breeding simulations for radioactive ion beam production

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

Variale, V.; Raino, A. C.; Clauser, T.

2012-02-15

The charge breeding technique is used for radioactive ion beam (RIB) production in order of optimizing the re-acceleration of the radioactive element ions produced by a primary beam in a thick target. Charge breeding is achieved by means of a device capable of increasing the ion charge state from 1+ to a desired value n+. In order to get high intensity RIB, experiments with charge breeding of very high efficiency could be required. To reach this goal, the charge breeding simulation could help to optimize the high charge state production efficiency by finding more proper parameters for the radioactive 1+more » ions. In this paper a device based on an electron beam ion source (EBIS) is considered. In order to study that problem, a code already developed for studying the ion selective containment in an EBIS with RF quadrupoles, BRICTEST, has been modified to simulate the ion charge state breeding rate for different 1+ ion injection conditions. Particularly, the charge breeding simulations for an EBIS with a hollow electron beam have been studied.« less

Persistence time of charge carriers in defect states of molecular semiconductors.

PubMed

McMahon, David P; Troisi, Alessandro

2011-06-07

Charge carriers in organic crystals are often trapped in point defects. The persistence time of the charge in these defect states is evaluated by computing the escape rate from this state using non-adiabatic rate theory. Two cases are considered (i) the hopping between separate identical defect states and (ii) the hopping between a defect state and the bulk (delocalized) states. We show that only the second process is likely to happen with realistic defect concentrations and highlight that the inclusion of an effective quantum mode of vibration is essential for accurate computation of the rate. The computed persistence time as a function of the trap energy indicates that trap states shallower than ∼0.3 eV cannot be effectively investigated with some slow spectroscopic techniques such as THz spectroscopy or EPR commonly used to study the nature of excess charge in semiconductors.

Lowest energy Frenkel and charge transfer exciton intermixing in one-dimensional copper phthalocyanine molecular lattice

NASA Astrophysics Data System (ADS)

Bondarev, I. V.; Popescu, A.; Younts, R. A.; Hoffman, B.; McAfee, T.; Dougherty, D. B.; Gundogdu, K.; Ade, H. W.

2016-11-01

We report the results of the combined experimental and theoretical studies of the low-lying exciton states in crystalline copper phthalocyanine. We derive the eigen energy spectrum for the two lowest intramolecular Frenkel excitons coupled to the intermolecular charge transfer exciton state and compare it with temperature dependent optical absorption spectra measured experimentally, to obtain the parameters of the Frenkel-charge-transfer exciton intermixing. The two Frenkel exciton states are spaced apart by 0.26 eV, and the charge transfer exciton state is 50 meV above the lowest Frenkel exciton. Both Frenkel excitons are strongly mixed with the charge transfer exciton, showing the coupling constant 0.17 eV which agrees with earlier experimental measurements. These results can be used for the proper interpretation of the physical properties of crystalline phthalocyanines.

High-Fidelity Rapid Initialization and Read-Out of an Electron Spin via the Single Donor D(-) Charge State.

PubMed

Watson, T F; Weber, B; House, M G; Büch, H; Simmons, M Y

2015-10-16

We demonstrate high-fidelity electron spin read-out of a precision placed single donor in silicon via spin selective tunneling to either the D(+) or D(-) charge state of the donor. By performing read-out at the stable two electron D(0)↔D(-) charge transition we can increase the tunnel rates to a nearby single electron transistor charge sensor by nearly 2 orders of magnitude, allowing faster qubit read-out (1 ms) with minimum loss in read-out fidelity (98.4%) compared to read-out at the D(+)↔D(0) transition (99.6%). Furthermore, we show that read-out via the D(-) charge state can be used to rapidly initialize the electron spin qubit in its ground state with a fidelity of F(I)=99.8%.

Assessing the Performance of LED-Based Flashlights Available in the Kenyan Off-Grid Lighting Market

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

Tracy, Jennifer; Jacobson, Arne; Mills, Evan

Low cost rechargeable flashlights that use LED technology are increasingly available in African markets. While LED technology holds promise to provide affordable, high quality lighting services, the widespread dissemination of low quality products may make it difficult to realize this potential. This study includes performance results for three brands of commonly available LED flashlights that were purchased in Kenya in 2009. The performance of the flashlights was evaluated by testing five units for each of the three brands. The tests included measurements of battery capacity, time required to charge the battery, maximum illuminance at one meter, operation time and lux-hoursmore » from a fully charged battery, light distribution, and color rendering. All flashlights tested performed well below the manufacturers? rated specifications; the measured battery capacity was 30-50percent lower than the rated capacity and the time required to fully charge the battery was 6-25percent greater than the rated time requirement. Our analysis further shows that within each brand there is considerable variability in each performance indicator. The five samples within a single brand varied from each other by as much as 22percent for battery capacity measurements, 3.6percent for the number of hours required for a full charge, 23percent for maximum initial lux, 38percent for run time, 11percent for light distribution and by as much as 200percent for color rendering. Results obtained are useful for creating a framework for quality assurance of off-grid LED products and will be valuable for informing consumers, distributors and product manufacturers about product performance.« less

Constructing diabatic states from adiabatic states: Extending generalized Mulliken-Hush to multiple charge centers with Boys localization

NASA Astrophysics Data System (ADS)

Subotnik, Joseph E.; Yeganeh, Sina; Cave, Robert J.; Ratner, Mark A.

2008-12-01

This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a generalization of the Boys algorithm for creating diabatic states with localized spin density that should be useful for Dexter triplet-triplet energy transfer.

Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localization.

PubMed

Subotnik, Joseph E; Yeganeh, Sina; Cave, Robert J; Ratner, Mark A

2008-12-28

This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a generalization of the Boys algorithm for creating diabatic states with localized spin density that should be useful for Dexter triplet-triplet energy transfer.

Ion/molecule reactions to chemically deconvolute the electrospray ionization mass spectra of synthetic polymers.

PubMed

Lennon, John D; Cole, Scott P; Glish, Gary L

2006-12-15

A new approach has been developed to analyze synthetic polymers via electrospray ionization mass spectrometry. Ion/molecule reactions, a unique feature of trapping instruments such as quadrupole ion trap mass spectrometers, can be used to chemically deconvolute the molecular mass distribution of polymers from the charge-state distribution generated by electrospray ionization. The reaction involves stripping charge from multiply charged oligomers to reduce the number of charge states. This reduces or eliminates the overlapping of oligomers from adjacent charge states. 15-Crown-5 was used to strip alkali cations (Na+) from several narrow polydisperse poly(ethylene glycol) standards. The charge-state distribution of each oligomer is reduced to primarily one charge state. Individual oligomers can be resolved, and the average molecular mass and polydispersities can be calculated for the polymers examined here. In most cases, the measured number-average molecular mass values are within 10% of the manufacturers' reported values obtained by gel permeation chromatography. The polydispersity was typically underestimated compared to values reported by the suppliers. Mn values were obtained with 0.5% RSD and are independent, over several orders of magnitude, of the polymer and cation concentration. The distributions that were obtained fit quite well to the Gaussian distribution indicating no high- or low-mass discriminations.

Structural dynamics of a noncovalent charge transfer complex from femtosecond stimulated Raman spectroscopy.

PubMed

Fujisawa, Tomotsumi; Creelman, Mark; Mathies, Richard A

2012-09-06

Femtosecond stimulated Raman spectroscopy is used to examine the structural dynamics of photoinduced charge transfer within a noncovalent electron acceptor/donor complex of pyromellitic dianhydride (PMDA, electron acceptor) and hexamethylbenzene (HMB, electron donor) in ethylacetate and acetonitrile. The evolution of the vibrational spectrum reveals the ultrafast structural changes that occur during the charge separation (Franck-Condon excited state complex → contact ion pair) and the subsequent charge recombination (contact ion pair → ground state complex). The Franck-Condon excited state is shown to have significant charge-separated character because its vibrational spectrum is similar to that of the ion pair. The charge separation rate (2.5 ps in ethylacetate and ∼0.5 ps in acetonitrile) is comparable to solvation dynamics and is unaffected by the perdeuteration of HMB, supporting the dominant role of solvent rearrangement in charge separation. On the other hand, the charge recombination slows by a factor of ∼1.4 when using perdeuterated HMB, indicating that methyl hydrogen motions of HMB mediate the charge recombination process. Resonance Raman enhancement of the HMB vibrations in the complex reveals that the ring stretches of HMB, and especially the C-CH(3) deformations are the primary acceptor modes promoting charge recombination.

In situ X-ray near-edge absorption spectroscopy investigation of the state of charge of all-vanadium redox flow batteries.

PubMed

Jia, Chuankun; Liu, Qi; Sun, Cheng-Jun; Yang, Fan; Ren, Yang; Heald, Steve M; Liu, Yadong; Li, Zhe-Fei; Lu, Wenquan; Xie, Jian

2014-10-22

Synchrotron-based in situ X-ray near-edge absorption spectroscopy (XANES) has been used to study the valence state evolution of the vanadium ion for both the catholyte and anolyte in all-vanadium redox flow batteries (VRB) under realistic cycling conditions. The results indicate that, when using the widely used charge-discharge profile during the first charge process (charging the VRB cell to 1.65 V under a constant current mode), the vanadium ion valence did not reach V(V) in the catholyte and did not reach V(II) in the anolyte. Consequently, the state of charge (SOC) for the VRB cell was only 82%, far below the desired 100% SOC. Thus, such incompletely charged mix electrolytes results in not only wasting the electrolytes but also decreasing the cell performance in the following cycles. On the basis of our study, we proposed a new charge-discharge profile (first charged at a constant current mode up to 1.65 V and then continuously charged at a constant voltage mode until the capacity was close to the theoretical value) for the first charge process that achieved 100% SOC after the initial charge process. Utilizing this new charge-discharge profile, the theoretical charge capacity and the full utilization of electrolytes has been achieved, thus having a significant impact on the cost reduction of the electrolytes in VRB.

Evidence for Two New Solution States of Ubiquitin by IMS–MS Analysis

PubMed Central

2015-01-01

Ion mobility spectrometry coupled with mass spectrometry (IMS–MS) is used to investigate the populations of different states for ubiquitin in water:methanol solutions. In these experiments, ubiquitin is electrosprayed from 20 water:methanol (100:0 to 5:95, pH = 2) solutions, ranging from native to denaturing conditions. With an increased percentage of methanol in solution, ubiquitin ions ([M + 7H]7+ to [M + 12H]12+) show substantial variations in both charge state distributions and ion mobility distributions. Analysis of these data provides evidence for the existence of five ubiquitin states in solution: the native N state, favored in solutions of 100:0 to 70:30 water:methanol for the +7 and +8 charge states; the more helical A state and a new closely related A′ state, favored in solutions of 70:30 to 5:95 water:methanol for the +9 to +12 charge states; the unfolded U state, populated in 40:60 to 5:95 water:methanol solutions for the +8 to +10 and +12 charge states; and a new low-abundance state termed the B state, observed for 100:0 to 70:30 water:methanol solutions in the +8 to +10 and +12 charge states. The relative abundances for different states in different solutions are determined. The analysis presented here provides insight into how solution structures evolve into anhydrous conformations and demonstrates the utility of IMS–MS methods as a means of characterizing populations of conformers for proteins in solution. PMID:24625065

Phosphatase activity of the voltage-sensing phosphatase, VSP, shows graded dependence on the extent of activation of the voltage sensor

PubMed Central

Sakata, Souhei; Okamura, Yasushi

2014-01-01

The voltage-sensing phosphatase (VSP) consists of a voltage sensor and a cytoplasmic phosphatase region, and the movement of the voltage sensor is coupled to the phosphatase activity. However, its coupling mechanisms still remain unclear. One possible scenario is that the phosphatase is activated only when the voltage sensor is in a fully activated state. Alternatively, the enzymatic activity of single VSP proteins could be graded in distinct activated states of the voltage sensor, and partial activation of the voltage sensor could lead to partial activation of the phosphatase. To distinguish between these two possibilities, we studied a voltage sensor mutant of zebrafish VSP, where the voltage sensor moves in two steps as evidenced by analyses of charge movements of the voltage sensor and voltage clamp fluorometry. Measurements of the phosphatase activity toward phosphatidylinositol 4,5-bisphosphate revealed that both steps of voltage sensor activation are coupled to the tuning of phosphatase activities, consistent with the idea that the phosphatase activity is graded by the magnitude of the movement of the voltage sensor. PMID:24277865

Clay-Inspired MXene-Based Electrochemical Devices and Photo-Electrocatalyst: State-of-the-Art Progresses and Challenges.

PubMed

Wang, Hou; Wu, Yan; Yuan, Xingzhong; Zeng, Guangming; Zhou, Jin; Wang, Xin; Chew, Jia Wei

2018-03-01

MXene, an important and increasingly popular category of postgraphene 2D nanomaterials, has been rigorously investigated since early 2011 because of advantages including flexible tunability in element composition, hydrophobicity, metallic nature, unique in-plane anisotropic structure, high charge-carrier mobility, tunable band gap, and favorable optical and mechanical properties. To fully exploit these potentials and further expand beyond the existing boundaries, novel functional nanostructures spanning monolayer, multilayer, nanoparticles, and composites have been developed by means of intercalation, delamination, functionalization, hybridization, among others. Undeniably, the cutting-edge developments and applications of clay-inspired 2D MXene platform as electrochemical electrode or photo-electrocatalyst have conferred superior performance and have made significant impact in the field of energy and advanced catalysis. This review provides an overview of the fundamental properties and synthesis routes of pure MXene, functionalized MXene and their hybrids, highlights the state-of-the-art progresses of MXene-based applications with respect to supercapacitors, batteries, electrocatalysis and photocatalysis, and presents the challenges and prospects in the burgeoning field. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unconventional and conventional quantum criticalities in CeRh0.58Ir0.42In5

NASA Astrophysics Data System (ADS)

Luo, Yongkang; Lu, Xin; Dioguardi, Aadm P.; Rosa, Priscila F. S.; Bauer, Eric D.; Si, Qimiao; Thompson, Joe D.

2018-03-01

An appropriate description of the state of matter that appears as a second order phase transition is tuned toward zero temperature, viz. quantum-critical point (QCP), poses fundamental and still not fully answered questions. Experiments are needed both to test basic conclusions and to guide further refinement of theoretical models. Here, charge and entropy transport properties as well as AC specific heat of the heavy-fermion compound CeRh0.58Ir0.42In5, measured as a function of pressure, reveal two qualitatively different QCPs in a single material driven by a single non-symmetry-breaking tuning parameter. A discontinuous sign-change jump in thermopower suggests an unconventional QCP at pc1 accompanied by an abrupt Fermi-surface reconstruction that is followed by a conventional spin-density-wave critical point at pc2 across which the Fermi surface evolves smoothly to a heavy Fermi-liquid state. These experiments are consistent with some theoretical predictions, including the sequence of critical points and the temperature dependence of the thermopower in their vicinity.

Electron-electron correlation in two-photon double ionization of He-like ions [Counterintuitive electron correlation in two-photon double ionization of He-like ions

DOE PAGES

Hu, S. X.

2018-01-18

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding, strong-field–induced multi-electron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photo-induced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions [Li +, Be 2+, and C 4+] exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra asmore » the ionic charge increases, which is counterintuitive to the belief that the strongly correlated ground state and the strong Coulomb field of He-like ions should lead to more equal-energy sharing in photoionization. Lastly, these findings indicate that the final-state electron–electron correlation ultimately determines their energy sharing in TPDI.« less

Phosphatase activity of the voltage-sensing phosphatase, VSP, shows graded dependence on the extent of activation of the voltage sensor.

PubMed

Sakata, Souhei; Okamura, Yasushi

2014-03-01

The voltage-sensing phosphatase (VSP) consists of a voltage sensor and a cytoplasmic phosphatase region, and the movement of the voltage sensor is coupled to the phosphatase activity. However, its coupling mechanisms still remain unclear. One possible scenario is that the phosphatase is activated only when the voltage sensor is in a fully activated state. Alternatively, the enzymatic activity of single VSP proteins could be graded in distinct activated states of the voltage sensor, and partial activation of the voltage sensor could lead to partial activation of the phosphatase. To distinguish between these two possibilities, we studied a voltage sensor mutant of zebrafish VSP, where the voltage sensor moves in two steps as evidenced by analyses of charge movements of the voltage sensor and voltage clamp fluorometry. Measurements of the phosphatase activity toward phosphatidylinositol 4,5-bisphosphate revealed that both steps of voltage sensor activation are coupled to the tuning of phosphatase activities, consistent with the idea that the phosphatase activity is graded by the magnitude of the movement of the voltage sensor.

Electron-electron correlation in two-photon double ionization of He-like ions [Counterintuitive electron correlation in two-photon double ionization of He-like ions

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

Hu, S. X.

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding, strong-field–induced multi-electron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photo-induced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions [Li +, Be 2+, and C 4+] exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra asmore » the ionic charge increases, which is counterintuitive to the belief that the strongly correlated ground state and the strong Coulomb field of He-like ions should lead to more equal-energy sharing in photoionization. Lastly, these findings indicate that the final-state electron–electron correlation ultimately determines their energy sharing in TPDI.« less

In situ Visualization of State-of-Charge Heterogeneity within a LiCoO 2 Particle that Evolves upon Cycling at Different Rates

DOE PAGES

Xu, Yahong; Hu, Enyuan; Zhang, Kai; ...

2017-05-05

For designing new battery systems with higher energy density and longer cycle life, it is important to understand the degradation mechanism of the electrode material, especially at the individual particle level. Using in situ transmission X-ray microscopy (TXM) coupled to a pouch cell setup, the inhomogeneous Li distribution as well as the formation, population, and evolution of inactive domains in a single LiCoO 2 particle were visualized in this paper as it was cycled for many times. It is found that the percentage of the particle that fully recovered to the pristine state is strongly related to the cycling rate.more » Interestingly, we also observed the evolution of the inactive region within the particle during long-term cycling. The relationship between morphological degradation and chemical inhomogeneity, including the formation of unanticipated Co metal phase, is also observed. Finally, our work highlights the capability of in situ TXM for studying the degradation mechanism of materials in LIBs.« less

Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes

PubMed Central

Alamo, Lorenzo; Ware, James S; Pinto, Antonio; Gillilan, Richard E; Seidman, Jonathan G; Seidman, Christine E; Padrón, Raúl

2017-01-01

Cardiac β-myosin variants cause hypertrophic (HCM) or dilated (DCM) cardiomyopathy by disrupting sarcomere contraction and relaxation. The locations of variants on isolated myosin head structures predict contractility effects but not the prominent relaxation and energetic deficits that characterize HCM. During relaxation, pairs of myosins form interacting-heads motif (IHM) structures that with other sarcomere proteins establish an energy-saving, super-relaxed (SRX) state. Using a human β-cardiac myosin IHM quasi-atomic model, we defined interactions sites between adjacent myosin heads and associated protein partners, and then analyzed rare variants from 6112 HCM and 1315 DCM patients and 33,370 ExAC controls. HCM variants, 72% that changed electrostatic charges, disproportionately altered IHM interaction residues (expected 23%; HCM 54%, p=2.6×10−19; DCM 26%, p=0.66; controls 20%, p=0.23). HCM variant locations predict impaired IHM formation and stability, and attenuation of the SRX state - accounting for altered contractility, reduced diastolic relaxation, and increased energy consumption, that fully characterizes HCM pathogenesis. DOI: http://dx.doi.org/10.7554/eLife.24634.001 PMID:28606303

Cosmology of Universe Particles and Beyond

NASA Astrophysics Data System (ADS)

Xu, Wei

2016-06-01

For the first time in history, all properties of cosmology particles are uncovered and described concisely and systematically, known as the elementary particles in contemporary physics.Aligning with the synthesis of the virtual and physical worlds in a hierarchical taxonomy of the universe, this theory refines the topology framework of cosmology, and presents a new perspective of the Yin Yang natural laws that, through the processes of creation and reproduction, the fundamental elements generate an infinite series of circular objects and a Yin Yang duality of dynamic fields that are sequenced and transformed states of matter between the virtual and physical worlds.Once virtual objects are transformed, they embody various enclaves of energy states, known as dark energy, quarks, leptons, bosons, protons, and neutrons, characterized by their incentive oscillations of timestate variables in a duality of virtual realities: energy and time, spin and charge, mass and space, symmetry and antisymmetry.As a consequence, it derives the fully-scaled quantum properties of physical particles in accordance with numerous historical experiments, and has overcome the limitations of uncertainty principle and the Standard Model, towards concisely exploring physical nature and beyond...

Battery-Charge-State Model

NASA Technical Reports Server (NTRS)

Vivian, H. C.

1985-01-01

Charge-state model for lead/acid batteries proposed as part of effort to make equivalent of fuel gage for battery-powered vehicles. Models based on equations that approximate observable characteristics of battery electrochemistry. Uses linear equations, easier to simulate on computer, and gives smooth transitions between charge, discharge, and recuperation.

Space-Charge Waves and Instabilities in Intense Beams

NASA Astrophysics Data System (ADS)

Wang, J. G.

1997-11-01

Advancced accelerator applications, such as drivers for heavy ion inertial fusion, high-intensity synchrotrons for spallation neutron sources, high energy boosters, free electron lasers, high-power microwave generators, etc., require ever-increasing beam intensity. An important beam dynamics issue in such beams is the collective behavior of charged particles due to their space charge effects. This includes the phenomena of space-charge waves and instabilities excited on beams by external perturbations. It is very crucial to fully understand these phenomena in order to develop advanced accelerators for various applications. At the University of Maryland we have been conducting experimental programs to study space-charge waves and longitudinal instabilities by employing low-energy, high-current, space-charge dominated electron beams. Localized perturbations on the beams are generated from a gridded electron gun. In a conducting transport channel focused by short solenoids, these perturbations evolve into space-charge waves propagating on the beams. The wave speed is measured and many beam parameters are determined with this technique. The reflection of space-charge waves at the shoulder of an initially rectangular beam bunch is also observed. In a resistive-wall channel focused by a uniform long solenoid, the space-charge waves suffer longitudinal instability. The properties of the instabilities are studied in detail in the long wavelength range. In this talk we review our experimental results on the waves and instabilities and compare with theory.

Measurements of Charging of Apollo 17 Lunar Dust Grains by Electron Impact

NASA Technical Reports Server (NTRS)

Abbas, Mian M.; Tankosic, Dragana; Spann, James F.; Dube, Michael J.

2008-01-01

It is well known since the Apollo missions that the lunar surface is covered with a thick layer of micron size dust grains with unusually high adhesive characteristics. The dust grains observed to be levitated and transported on the lunar surface are believed to have a hazardous impact on the robotic and human missions to the Moon. The observed dust phenomena are attributed to the lunar dust being charged positively during the day by UV photoelectric emissions, and negatively during the night by the solar wind electrons. The current dust charging and the levitation models, however, do not fully explain the observed phenomena, with the uncertainty of dust charging processes and the equilibrium potentials of the individual dust grains. It is well recognized that the charging properties of individual dust grains are substantially different from those determined from measurements made on bulk materials that are currently available. An experimental facility has been developed in the Dusty Plasma Laboratory at MSFC for investigating the charging and optical properties of individual micron/sub-micron size positively or negatively charged dust grains by levitating them in an electrodynamic balance in simulated space environments. In this paper, we present the laboratory measurements on charging of Apollo 17 individual lunar dust grains by a low energy electron beam. The charging rates and the equilibrium potentials produced by direct electron impact and by secondary electron emission process are discussed.

Laboratory Measurements of Charging of Apollo 17 Lunar Dust Grains by Low Energy Electrons

NASA Technical Reports Server (NTRS)

Abbas, Mian M.; Tankosic, Dragana; Spann, James F.; Dube, Michael J.; Gaskin, Jessica

2007-01-01

It is well recognized that the charging properties of individual micron/sub-micron size dust grains by various processes are expected to be substantially different from the currently available measurements made on bulk materials. Solar UV radiation and the solar wind plasma charge micron size dust grains on the lunar surface with virtually no atmosphere. The electrostatically charged dust grains are believed to be levitated and transported long distances over the lunar terminator from the day to the night side. The current models do not fully explain the lunar dust phenomena and laboratory measurements are needed to experimentally determine the charging properties of lunar dust grains. An experimental facility has been developed in the Dusty Plasma Laboratory at NASA Marshall Space Flight Center MSFC for investigating the charging properties of individual micron/sub-micron size positively or negatively charged dust grains by levitating them in an electrodynamic balance in simulated space environments. In this paper, we present laboratory measurements on charging of Apollo 17 individual lunar dust grains by low energy electron beams in the 5-100 eV energy range. The measurements are made by levitating Apollo 17 dust grains of 0.2 to 10 micrometer diameters, in an electrodynamic balance and exposing them to mono-energetic electron beams. The charging rates and the equilibrium potentials produced by direct electron impact and by secondary electron emission processes are discussed.

A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model.

PubMed

Shimazaki, Tomomi; Nakajima, Takahito

2017-05-21

This paper discusses an ideal diode model with hot charge-transfer (CT) states to analyze the power conversion efficiency of an organic photocell. A free carrier generation mechanism via sunlight in an organic photocell consists of four microscopic processes: photon absorption, exciton dissociation, CT, and charge separation. The hot CT state effect has been actively investigated to understand the charge separation process. We previously reported a theoretical method to calculate the efficiency of the charge separation process via a hot CT state (T. Shimazaki et al., Phys. Chem. Chem. Phys., 2015, 17, 12538 and J. Chem. Phys., 2016, 144, 234906). In this paper, we integrate the simulation method into the ideal photocell diode model and calculate several properties such as short circuit current, open circuit voltage, and power conversion efficiency. Our results highlight that utilizing the dimensional (entropy) effect together with the hot CT state can play an essential role in developing more efficient organic photocell devices.

Protecting a Diamond Quantum Memory by Charge State Control.

PubMed

Pfender, Matthias; Aslam, Nabeel; Simon, Patrick; Antonov, Denis; Thiering, Gergő; Burk, Sina; Fávaro de Oliveira, Felipe; Denisenko, Andrej; Fedder, Helmut; Meijer, Jan; Garrido, Jose A; Gali, Adam; Teraji, Tokuyuki; Isoya, Junichi; Doherty, Marcus William; Alkauskas, Audrius; Gallo, Alejandro; Grüneis, Andreas; Neumann, Philipp; Wrachtrup, Jörg

2017-10-11

In recent years, solid-state spin systems have emerged as promising candidates for quantum information processing. Prominent examples are the nitrogen-vacancy (NV) center in diamond, phosphorus dopants in silicon (Si:P), rare-earth ions in solids, and V Si -centers in silicon-carbide. The Si:P system has demonstrated that its nuclear spins can yield exceedingly long spin coherence times by eliminating the electron spin of the dopant. For NV centers, however, a proper charge state for storage of nuclear spin qubit coherence has not been identified yet. Here, we identify and characterize the positively charged NV center as an electron-spin-less and optically inactive state by utilizing the nuclear spin qubit as a probe. We control the electronic charge and spin utilizing nanometer scale gate electrodes. We achieve a lengthening of the nuclear spin coherence times by a factor of 4. Surprisingly, the new charge state allows switching of the optical response of single nodes facilitating full individual addressability.

Dynamics at Lys-553 of the acto-myosin interface in the weakly and strongly bound states.

PubMed Central

MacLean, J J; Chrin, L R; Berger, C L

2000-01-01

Lys-553 of skeletal muscle myosin subfragment 1 (S1) was specifically labeled with the fluorescent probe FHS (6-[fluorescein-5(and 6)-carboxamido]hexanoic acid succinimidyl ester) and fluorescence quenching experiments were carried out to determine the accessibility of this probe at Lys-553 in both the strongly and weakly actin-bound states of the MgATPase cycle. Solvent quenchers of varying charge [nitromethane, (2,2,6, 6-tetramethyl-1-piperinyloxy) (TEMPO), iodide (I(-)), and thallium (Tl(+))] were used to assess both the steric and electrostatic accessibilities of the FHS probe at Lys-553. In the strongly bound rigor (nucleotide-free) and MgADP states, actin offered no protection from solvent quenching of FHS by nitromethane, TEMPO, or thallium, but did decrease the Stern-Volmer constant by almost a factor of two when iodide was used as the quencher. The protection from iodide quenching was almost fully reversed with the addition of 150 mM KCl, suggesting this effect is ionic in nature rather than steric. Conversely, actin offered no protection from iodide quenching at low ionic strength during steady-state ATP hydrolysis, even with a significant fraction of the myosin heads bound to actin. Thus, the lower 50 kD subdomain of myosin containing Lys-553 appears to interact differently with actin in the weakly and strongly bound states. PMID:10692329

Open- and closed-state fast inactivation in sodium channels

PubMed Central

Lehmann-Horn, Frank; Holzherr, Boris D

2011-01-01

The role of sodium channel closed-state fast inactivation in membrane excitability is not well understood. We compared open- and closed-state fast inactivation, and the gating charge immobilized during these transitions, in skeletal muscle channel hNaV1.4. A significant fraction of total charge movement and its immobilization occurred in the absence of channel opening. Simulated action potentials in skeletal muscle fibers were attenuated when pre-conditioned by subthreshold depolarization. Anthopleurin A, a site-3 toxin that inhibits gating charge associated with the movement of DIVS4, was used to assess the role of this voltage sensor in closed-state fast inactivation. Anthopleurin elicited opposing effects on the gating mode, kinetics and charge immobilized during open- versus closed-state fast inactivation. This same toxin produced identical effects on recovery of channel availability and remobilization of gating charge, irrespective of route of entry into fast inactivation. Our findings suggest that depolarization promoting entry into fast inactivation from open versus closed states provides access to the IFMT receptor via different rate-limiting conformational translocations of DIVS4. PMID:21099342

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.

[Organization of the drug supply chain in state health services: potential consequences of the public-private mix].

PubMed

López-Moreno, Sergio; Martínez-Ojeda, Rosa Haydeé; López-Arellano, Oliva; Jarillo-Soto, Edgar; Castro-Albarrán, Juan Manuel

2011-01-01

To assess the consequences of private outsourcing on the overall supply and filling of prescriptions in state health services. The research was conducted using quantitative and qualitative techniques in 13 states. The information was collected through interviews and direct observation. The interviews were carried on staff of state health services related to the drug supply chain and users of health services. The quantitative approach examined the percentage of stocked full recipes in a sample of users. States that have opted for the fully outsourced model, and properly monitored this choice, have increased the supply of drugs to their users and guaranteed the supply in the care units in charge. Other states with the outsourced model have multiple problems: direct purchase of drugs not included in the basic drugs catalogue, failure of suppliers and shortage of supplies in the laboratories that provide the company. The main disadvantages identified in all models were: the subordination of the medical criteria to administrative criteria, insufficient planning based on local care needs, heterogeneous procedures, insufficient knowledge of regulations and lack of normativity. The results indicate that the incorporation of private providers in the drug supply chain may not be the solution to bring down the shortage faced by health services, especially at the hospital level. The shift to outsourcing models has developed without incorporating evaluation mechanisms and the consequences that this transition can have on state health systems must be investigated more deeply.

46 CFR 112.39-1 - General.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Battery Operated Lanterns § 112.39-1 General. (a) Each battery-operated, relay-controlled lantern used in accordance with Table 112.05-5(a) must: (1) Have rechargeable batteries; (2) Have an automatic battery charger that maintains the battery in a fully charged condition; and (3) Not be readily portable. [CGD 74...

41 CFR 102-85.115 - How is the Rent determined?

Code of Federal Regulations, 2010 CFR

2010-07-01

... owned space provided by GSA is based on market appraisals of fully serviced rental values for the..., and security charges are calculated separately and added to the appraised shell Rent to establish the... addition to the shell Rent, the Rent includes amortization of TI allowances used, real estate taxes...