Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

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

Possible impact of multi-electron loss events on the average beam charge state in an HIF target chamber and a neutral beam approach

NASA Astrophysics Data System (ADS)

Grisham, L. R.

2001-05-01

Experiments were carried out during the early 1980s to assess the obtainable atomic neutralization of energetic beams of negative ions ranging from lithium to silicon. The experiments found (Grisham et al. Rev. Sci. Instrum. 53 (1982) 281; Princeton Plasma Physics Laboratory Report PPPL-1857, 1981) that, for higher atomic number elements than lithium, it appeared that a substantial fraction of the time more than one electron was being lost in a single collision. This result was inferred from the existence of more than one ionization state in the product beam for even the thinnest line densities at which any electron removal took place. Because of accelerator limitations, these experiments were limited to maximum energies of 7 MeV. However, based upon these results, it is possible that multi-electron loss events may also play a significant role in determining the average ion charge state of the much higher Z and more energetic beams traversing the medium in an heavy ion fusion chamber. This could result in the beam charge state being considerably higher than previously anticipated, and might require designers to consider harder vacuum ballistic focusing approaches, or the development of additional space charge neutralization schemes. This paper discusses the measurements that gave rise for these concerns, as well as a description of further measurements that are proposed to be carried out for atomic numbers and energies per amu which would be closer to those required for heavy ion fusion drivers. With a very low current beam of a massive, but low charge state energetic ion, the charge state distribution emerging from a target gas cell could be measured as a function of line density and medium composition. Varying the line density would allow one to simulate the charge state evolution of the beam as a function of distance into the target chamber. This paper also briefly discusses a possible alternative driver approach using photodetachment-neutralized atomic beams, which could reduce plasma complications far from the target, but which would impose more stringent limitations upon chamber pressure and repetition rate.

18 CFR 11.17 - Procedures for payment of charges and costs.

Code of Federal Regulations, 2012 CFR

2012-04-01

... from a Federal headwater project must pay to the United States the cost of making any investigation... of charges and costs. 11.17 Section 11.17 Conservation of Power and Water Resources FEDERAL ENERGY... project average energy gains and section 10(f) costs, the Commission will issue to the downstream project...

18 CFR 11.17 - Procedures for payment of charges and costs.

Code of Federal Regulations, 2013 CFR

2013-04-01

... from a Federal headwater project must pay to the United States the cost of making any investigation... of charges and costs. 11.17 Section 11.17 Conservation of Power and Water Resources FEDERAL ENERGY... project average energy gains and section 10(f) costs, the Commission will issue to the downstream project...

18 CFR 11.17 - Procedures for payment of charges and costs.

Code of Federal Regulations, 2014 CFR

2014-04-01

... from a Federal headwater project must pay to the United States the cost of making any investigation... of charges and costs. 11.17 Section 11.17 Conservation of Power and Water Resources FEDERAL ENERGY... project average energy gains and section 10(f) costs, the Commission will issue to the downstream project...

Nucleon matrix elements from lattice QCD with all-mode-averaging and a domain-decomposed solver: An exploratory study

NASA Astrophysics Data System (ADS)

von Hippel, Georg; Rae, Thomas D.; Shintani, Eigo; Wittig, Hartmut

2017-01-01

We study the performance of all-mode-averaging (AMA) when used in conjunction with a locally deflated SAP-preconditioned solver, determining how to optimize the local block sizes and number of deflation fields in order to minimize the computational cost for a given level of overall statistical accuracy. We find that AMA enables a reduction of the statistical error on nucleon charges by a factor of around two at the same cost when compared to the standard method. As a demonstration, we compute the axial, scalar and tensor charges of the nucleon in Nf = 2 lattice QCD with non-perturbatively O(a)-improved Wilson quarks, using O(10,000) measurements to pursue the signal out to source-sink separations of ts ∼ 1.5 fm. Our results suggest that the axial charge is suffering from a significant amount (5-10%) of excited-state contamination at source-sink separations of up to ts ∼ 1.2 fm, whereas the excited-state contamination in the scalar and tensor charges seems to be small.

Unusual inhomogeneous microstructures in charge glass state of PbCrO3

NASA Astrophysics Data System (ADS)

Kurushima, Kosuke; Tsukasaki, Hirofumi; Ogata, Takahiro; Sakai, Yuki; Azuma, Masaki; Ishii, Yui; Mori, Shigeo

2018-05-01

We investigated the microstructures and local structures of perovskite PbCrO3, which shows a metal-to-insulator transition and a 9.8% volume collapse, by electron diffraction, high-resolution transmission electron microscopy (TEM), and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). It is revealed that the charge glass state is characterized by the unique coexistence of the crystalline state with a cubic symmetry on average and the noncrystalline state. HAADF-STEM observation at atomic resolution revealed that Pb ions were displaced from the ideal A site position of the cubic perovskite structure, which gives rise to characteristic diffuse scatterings around the fundamental Bragg reflections. These structural inhomogeneities are crucial to the understanding of the unique physical properties in the charge glass state of PbCrO3.

High charge state carbon and oxygen ions in Earth's equatorial quasi-trapping region

NASA Technical Reports Server (NTRS)

Christon, S. P.; Hamilton, D. C.; Gloeckler, G.; Eastmann, T. E.

1994-01-01

Observations of energetic (1.5 - 300 keV/e) medium-to-high charge state (+3 less than or equal to Q less than or equal to +7) solar wind origin C and O ions made in the quasi-trapping region (QTR) of Earth's magnetosphere are compared to ion trajectories calculated in model equatorial magnetospheric magnetic and electric fields. These comparisons indicate that solar wind ions entering the QTR on the nightside as an energetic component of the plasma sheet exit the region on the dayside, experiencing little or no charge exchange on the way. Measurements made by the CHarge Energy Mass (CHEM) ion spectrometer on board the Active Magnetospheric Particle Tracer Explorer/Charge Composition Explorer (AMPTE/CCE) spacecraft at 7 less than L less than 9 from September 1984 to January 1989 are the source of the new results contained herein: quantitative long-term determination of number densities, average energies, energy spectra, local time distributions, and their variation with geomagnetic disturbance level as indexed by Kp. Solar wind primaries (ions with charge states unchanged) and their secondaries (ions with generally lower charge states produced from primaries in the magnetosphere via charge exchange)are observed throughout the QTR and have distinctly different local time variations that persist over the entire 4-year analysis interval. During Kp larger than or equal to 3 deg intervals, primary ion (e.g., O(+6)) densities exhibit a pronounced predawn maximum with average energy minimum and a broad near-local-noon density minimum with average energy maximum. Secondary ion (e.g., O(+5)) densities do not have an identifiable predawn peak, rather they have a broad dayside maximum peaked in local morning and a nightside minimum. During Kp less than or equal to 2(-) intervals, primary ion density peaks are less intense, broader in local time extent, and centered near midnight, while secondary ion density local time variations diminish. The long-time-interval baseline helps to refine and extend previous observations; for example, we show that ionospheric contribution to O(+3)) is negligible. Through comparison with model ion trajectories, we interpret the lack of pronounced secondary ion density peaks colocated with the primary density peaks to indicate that: (1) negligible charge exchange occurs at L greater than 7, that is, solar wind secondaries are produced at L less than 7, and (2) solar wind secondaries do not form a significant portion of the plasma sheet population injected into the QTR. We conclude that little of the energetic solar wind secondary ion population is recirculated through the magnetosphere.

Direct Evidence for Delocalization of Charge Carriers at the Fermi Level in a Doped Conducting Polymer

NASA Astrophysics Data System (ADS)

Zhuo, Jing-Mei; Zhao, Li-Hong; Chia, Perq-Jon; Sim, Wee-Sun; Friend, Richard H.; Ho, Peter K. H.

2008-05-01

The infrared absorption spectrum of the polaron charges at the Fermi level EF in a heavily p-doped conducting poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonic acid) film has been measured using interferogram-modulated Fourier-transform charge-modulation spectroscopy. The spectrum indicates softer phonons and weaker electron-phonon coupling riding on a strongly redshifted Drude-like electronic transition, different from the population-averaged “bulk” spectrum. This provides direct evidence that the EF holes are sufficiently delocalized even in such disordered materials to reside in an energy continuum (band states) while the rest of the hole population resides in self-localized gap states.

7 CFR 56.52 - Charges for continuous grading performed on a resident basis.

Code of Federal Regulations, 2011 CFR

2011-01-01

... service. (2) A charge for the salary and other costs, as specified in this paragraph, for each grader... reassigned by AMS to perform grading service for other than the applicant. Base salary rates will be determined on a national average for all official plants operating in States under a Federal Trust Fund...

Recoil ions from the β decay of 134Sb confined in a Paul trap

NASA Astrophysics Data System (ADS)

Siegl, K.; Scielzo, N. D.; Czeszumska, A.; Clark, J. A.; Savard, G.; Aprahamian, A.; Caldwell, S. A.; Alan, B. S.; Burkey, M. T.; Chiara, C. J.; Greene, J. P.; Harker, J.; Marley, S. T.; Morgan, G. E.; Munson, J. M.; Norman, E. B.; Orford, R.; Padgett, S.; Galván, A. Perez; Sharma, K. S.; Strauss, S. Y.

2018-03-01

The low-energy recoiling ions from the β decay of 134Sb were studied by using the Beta-decay Paul Trap. Using this apparatus, singly charged ions were suspended in vacuum at the center of a detector array used to detect emitted β particles, γ rays, and recoil ions in coincidence. The recoil ions emerge from the trap with negligible scattering, allowing β -decay properties and the charge-state distribution of the daughter ions to be determined from the β -ion coincidences. First-forbidden β -decay theory predicts a β -ν correlation coefficient of nearly unity for the 0- to 0+ transition from the ground state of 134Sb to the ground state of 134Te. Although this transition was expected to have a nearly 100% branching ratio, an additional 17.2(52)% of the β -decay strength must populate high-lying excited states to obtain an angular correlation consistent with unity. The extracted charge-state distribution of the recoiling ions was compared with existing β -decay results and the average charge state was found to be consistent with the results from lighter nuclei.

A Study of Performance of Five Book Dealers Used by Louisiana State University Library

ERIC Educational Resources Information Center

Stokley Sandra L.; Reid, Marion T.

1978-01-01

Analysis of imprint dates, average turn around time, delivery rates, service charges, average cost per title, claiming, and invoice formats for five book dealers indicates that certain ones to give greater discounts and have shorter turn around times, but these advantages must be weighed against problems encountered. (Author/MBR)

7 CFR 70.77 - Charges for continuous poultry or rabbit grading performed on a resident basis.

Code of Federal Regulations, 2011 CFR

2011-01-01

... service. (2) A charge for the salary and other costs, as specified in this paragraph, for each grader... reassigned by AMS to perform grading service for other than the applicant. Base salary rates will be determined on a national average for all official plants operating in States under a Federal Trust Fund...

Electric sales and revenue 1992, April 1994

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

Not Available

The Electric Sales and Revenue is prepared by the Survey Management Division, Office of Coal, Nuclear, Electric and Alternate Fuels; Energy Information Administration (EIA); US Department of Energy. This publication provides information about sales of electricity, its associated revenue, and the average revenue per kilowatthour sold to residential, commercial, industrial, and other consumers throughout the United States. The sales, revenue, and average revenue per kilowatthour provided in the Electric Sales and Revenue are based on annual data reported by electric utilities for the calendar year ending December 31, 1992. The electric revenue reported by each electric utility includes the applicablemore » revenue from kilowatthours sold; revenue from income; unemployment and other State and local taxes; energy, demand, and consumer service charges; environmental surcharges; franchise fees; fuel adjustments; and other miscellaneous charges. The revenue does not include taxes, such as sales and excise taxes, that are assessed on the consumer and collected through the utility. Average revenue per kilowatthour is defined as the cost per unit of electricity sold and is calculated by dividing retail sales into the associated electric revenue. The sales of electricity, associated revenue, and average revenue per kilowatthour provided in this report are presented at the national, Census division, State, and electric utility levels.« less

26 CFR 1.163-2 - Installment purchases where interest charge is not separately stated.

Code of Federal Regulations, 2010 CFR

2010-04-01

.... (a) In general. (1) Whenever there is a contract with a seller for the purchase of personal property... payments to be treated as interest shall be equal to 6 percent of the average unpaid balance under the contract during the taxable year. For purposes of this computation, the average unpaid balance under the...

Resource utilization in primary repair of cleft lip.

PubMed

Owusu, James A; Liu, Meixia; Sidman, James D; Scott, Andrew R

2013-03-01

To determine national variations in resource utilization for primary repair of cleft lip, identify patient and institutional factors associated with high resource use, and estimate the current incidence of cleft lip in the United States. Retrospective analysis of a national, pediatric database (2009 Kids' Inpatient Database [KID]). Patients aged 1 year and younger were selected using international classification of disease codes for cleft lip and procedure codes for cleft lip repair. A number of demographic variables were analyzed, and hospital charges were considered as a measure of resource utilization. There were 1318 patients identified. The national incidence was 0.09%, with a male to female ratio of 1.8:1. Regional incidence varied from 0.07% (Northeast) to 0.10% (West). The mean age at surgery was 4.2 months. The average length of stay was 1.4 days. The national average hospital charge was $20,147, ranging from $14,635 (South) to $23,663 (West). Teaching hospitals charge an average of $9764 higher than nonteaching hospitals. The strongest predictor of charge was length of stay, increasing charge by $8102 for every additional hospital day (P < .01). Regional variations exist in resource utilization for primary cleft lip repair. Resource use is higher in the West and among teaching hospitals.

Vacancies in epitaxial graphene

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

Davydov, S. Yu., E-mail: Sergei-Davydov@mail.ru

The coherent-potential method is used to consider the problem of the influence of a finite concentration of randomly arranged vacancies on the density of states of epitaxial graphene. To describe the density of states of the substrate, simple models (the Anderson model, Haldane-Anderson model, and parabolic model) are used. The electronic spectrum of free single-sheet graphene is considered in the low-energy approximation. Charge transfer in the graphene-substrate system is discussed. It is shown that, in all cases, the density of states of epitaxial graphene decreases proportionally to the vacancy concentration. At the same time, the average charge transferred from graphenemore » to the substrate increases.« less

Hot kinetic model as a guide to improve organic photovoltaic materials.

PubMed

Sosorev, Andrey Yu; Godovsky, Dmitry Yu; Paraschuk, Dmitry Yu

2018-01-31

The modeling of organic solar cells (OSCs) can provide a roadmap for their further improvement. Many OSC models have been proposed in recent years; however, the impact of the key intermediates from photons to electricity-hot charge-transfer (CT) states-on the OSC efficiency is highly ambiguous. In this study, we suggest an analytical kinetic model for OSC that considers a two-step charge generation via hot CT states. This hot kinetic model allowed us to evaluate the impact of different material parameters on the OSC performance: the driving force for charge separation, optical bandgap, charge mobility, geminate recombination rate, thermalization rate, average electron-hole separation distance in the CT state, dielectric permittivity, reorganization energy and charge delocalization. In contrast to a widespread trend of lowering the material bandgap, the model predicts that this approach is only efficient along with improvement of the other material properties. The most promising ways to increase the OSC performance are decreasing the reorganization energy, i.e., an energy change accompanying CT from the donor molecule to the acceptor, increasing the dielectric permittivity and charge delocalization. The model suggests that there are no fundamental limitations that can prevent achieving the OSC efficiency above 20%.

Charging and Transport Dynamics of a Flow-Through Electrode Capacitive Deionization System.

PubMed

Qu, Yatian; Campbell, Patrick G; Hemmatifar, Ali; Knipe, Jennifer M; Loeb, Colin K; Reidy, John J; Hubert, Mckenzie A; Stadermann, Michael; Santiago, Juan G

2018-01-11

We present a study of the interplay among electric charging rate, capacitance, salt removal, and mass transport in "flow-through electrode" capacitive deionization (CDI) systems. We develop two models describing coupled transport and electro-adsorption/desorption which capture salt removal dynamics. The first model is a simplified, unsteady zero-dimensional volume-averaged model which identifies dimensionless parameters and figures of merits associated with cell performance. The second model is a higher fidelity area-averaged model which captures both spatial and temporal responses of charging. We further conducted an experimental study of these dynamics and considered two salt transport regimes: (1) advection-limited regime and (2) dispersion-limited regime. We use these data to validate models. The study shows that, in the advection-limited regime, differential charge efficiency determines the salt adsorption at the early stage of the deionization process. Subsequently, charging transitions to a quasi-steady state where salt removal rate is proportional to applied current scaled by the inlet flow rate. In the dispersion-dominated regime, differential charge efficiency, cell volume, and diffusion rates govern adsorption dynamics and flow rate has little effect. In both regimes, the interplay among mass transport rate, differential charge efficiency, cell capacitance, and (electric) charging current governs salt removal in flow-through electrode CDI.

Determination of the location of positive charges in gas-phase polypeptide polycations by tandem mass spectrometry

NASA Astrophysics Data System (ADS)

Kjeldsen, Frank; Savitski, Mikhail M.; Adams, Christopher M.; Zubarev, Roman A.

2006-06-01

Location of protonated sites in electrospray-ionized gas-phase peptides and proteins was performed with tandem mass spectrometry using ion activation by both electron capture dissociation (ECD) and collisional activation dissociation (CAD). Charge-carrying sites were assigned based on the increment in the charge state of fragment ions compared to that of the previous fragment in the same series. The property of ECD to neutralize preferentially the least basic site was confirmed by the analysis of three thousand ECD mass spectra of doubly charged tryptic peptides. Multiply charged cations of bradykinin, neurotensin and melittin were studied in detail. For n+ precursors, ECD revealed the positions of (n - 1) most basic sites, while CAD could in principle locate alln charges. However, ECD introduced minimal proton mobilization and produced more conclusive data than CAD, for which N- and C-terminal data often disagreed. Consistent with the dominance of one charge conformer and its preservation in ECD, the average charge states of complementary fragments of n+ ions almost always added up to (n - 1)+, while the similar figure in CAD often deviated from n+, indicating extensive charge isomerization under collisional excitation. For bradykinin and neurotensin, the charge assignments were largely in agreement with the intrinsic gas-phase basicity of the respective amino acid residues. For melittin ions in higher charge states, ECD revealed the charging at both intrinsically basic as well as at less basic residues, which was attributed to charge sharing with other groups due to the presence of secondary and higher order structures in this larger polypeptide.

38 CFR 21.9640 - Rates of payment of educational assistance.

Code of Federal Regulations, 2010 CFR

2010-07-01

... the institution of higher learning (converted into United States dollars); or (2) The average (i.e... percent) and who— (1) Is enrolled at an institution of higher learning located in the United States, or at... amount for established charges paid directly to the institution of higher learning for the entire quarter...

Forecasting College Costs through 1988-89. American Council on Education Policy Brief.

ERIC Educational Resources Information Center

Henderson, Cathy

Major factors causing tuition and other charges to rise faster than inflation are analyzed. Attention is directed to the effect of inflation on faculty salaries, federal need-based aid to private colleges, expenditures for capital equipment by state colleges, and state appropriations to higher education. Data are provided on average undergraduate…

Grain Boundary Effect on Charge Transport in Pentacene Thin Films

NASA Astrophysics Data System (ADS)

Weis, Martin; Gmucová, Katarína; Nádaždy, Vojtech; Majková, Eva; Haško, Daniel; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-04-01

We report on charge transport properties of polycrystalline pentacene films with variable average grain size in the range from 0.1 to 0.3 µm controlled by the preparation technology. We illustrate with the organic field-effect transistors decrease of the effective mobility and presence of traps with decrease of the grain size. Analysis of the charge transfer excitons reveals decrease of the mobile charge density and the steady-state voltammetry showed significant increase of oxygen- and hydrogen-related defects. We also briefly discuss accumulation of the defects on the grain boundary and show relation between the defect density and grain boundary length.

Multi-hadron-state contamination in nucleon observables from chiral perturbation theory

NASA Astrophysics Data System (ADS)

Bär, Oliver

2018-03-01

Multi-particle states with additional pions are expected to be a non-negligible source of the excited-state contamination in lattice simulations at the physical point. It is shown that baryon chiral perturbation theory (ChPT) can be employed to calculate the contamination due to two-particle nucleon-pion states in various nucleon observables. Results to leading order are presented for the nucleon axial, tensor and scalar charge and three Mellin moments of parton distribution functions: the average quark momentum fraction, the helicity and the transversity moment. Taking into account experimental and phenomenological results for the charges and moments the impact of the nucleon-pionstates on lattice estimates for these observables can be estimated. The nucleon-pion-state contribution leads to an overestimation of all charges and moments obtained with the plateau method. The overestimation is at the 5-10% level for source-sink separations of about 2 fm. Existing lattice data is not in conflict with the ChPT predictions, but the comparison suggests that significantly larger source-sink separations are needed to compute the charges and moments with few-percent precision. Talk given at the 35th International Symposium on Lattice Field Theory, 18 - 24 June 2017, Granada, Spain.

Generic prejudice and the presumption of guilt in sex abuse trials.

PubMed

Vidmar, N

1997-02-01

In 25 Canadian criminal trials involving charges of sexual abuse, 849 prospective jurors were asked under oath whether they could hear the evidence, follow the judge's instructions on the law, and decide the case with a fair and impartial mind. Knowing only the nature of the charges against the accused, on average 36% of the jurors stated that they could not be impartial. Some jurors explained that they themselves had been victims of abuse, others expressed fears for children, while others stated simply that they could not set aside a presumption of guilt. These findings from real trials are consistent with a body of social science literature about attitudes toward sexual abuse and sexual assault charges. The article distinguishes between prejudices arising from specific pretrial publicity and generic prejudices that cause prejudgments of the case of any defendant perceived as belonging to a general class of defendants who likely are guilty of the crime(s) charged.

In vivo determination of steric and electrostatic exclusion of albumin in rat skin and skeletal muscle

PubMed Central

Gyenge, Christina C; Tenstad, Olav; Wiig, Helge

2003-01-01

In order to estimate the magnitude of electrostatic exclusion provided by the fixed negative charges of the skin and muscle interstitia of rat in vivo we measured the distribution volumes of two differently charged albumin probes within these tissues. An implanted osmotic pump was used to reach and maintain a steady-state extracellular concentration of a mixture containing two iodine-labelled probes: a charged-modified human serum albumin, cHSA (i.e. a positive probe, isoelectirc point (pI) = 7.6) and a native human serum albumin, HSA (i.e. a normally charged, negative probe, pI = 5.0). Steady-state tissue concentrations were achieved after intravenous infusion of probes for 5–7 days. At the end of this period the animals were nephrectomized and a bolus of 51Cr-EDTA was administered for estimating the extracellular volume. Plasma volumes were measured as 5-min distribution volume of 125I-HSA in separate experiments. The steady-state interstitial fluid concentrations of all probes were determined using nylon wicks implanted postmortem. Calculations of labelled probes were made for interstitial fluid volumes (Vi), extravascular albumin distribution volumes (Vav,a) and relative interstitial excluded volume fractions (Vex,a/Vi). We found that the positive probe is excluded from a significantly smaller fraction of the interstitium. Specifically, the average relative albumin exclusion fractions obtained were: 16% and 26% in skeletal muscle and 30% and 40% in skin, for cHSA and HSA, respectively. On average, the fixed negative charges of the interstitium are responsible for about 40% of the total albumin exclusion in skeletal muscle and 25% in the whole skin tissue and thus, contribute significantly to volume exclusion in these tissues. PMID:12937287

In vivo determination of steric and electrostatic exclusion of albumin in rat skin and skeletal muscle.

PubMed

Gyenge, Christina C; Tenstad, Olav; Wiig, Helge

2003-11-01

In order to estimate the magnitude of electrostatic exclusion provided by the fixed negative charges of the skin and muscle interstitia of rat in vivo we measured the distribution volumes of two differently charged albumin probes within these tissues. An implanted osmotic pump was used to reach and maintain a steady-state extracellular concentration of a mixture containing two iodine-labelled probes: a charged-modified human serum albumin, cHSA (i.e. a positive probe, isoelectirc point (pI) = 7.6) and a native human serum albumin, HSA (i.e. a normally charged, negative probe, pI = 5.0). Steady-state tissue concentrations were achieved after intravenous infusion of probes for 5-7 days. At the end of this period the animals were nephrectomized and a bolus of 51Cr-EDTA was administered for estimating the extracellular volume. Plasma volumes were measured as 5-min distribution volume of 125I-HSA in separate experiments. The steady-state interstitial fluid concentrations of all probes were determined using nylon wicks implanted postmortem. Calculations of labelled probes were made for interstitial fluid volumes (Vi), extravascular albumin distribution volumes (Vav,a) and relative interstitial excluded volume fractions (Vex,a/Vi). We found that the positive probe is excluded from a significantly smaller fraction of the interstitium. Specifically, the average relative albumin exclusion fractions obtained were: 16% and 26% in skeletal muscle and 30% and 40% in skin, for cHSA and HSA, respectively. On average, the fixed negative charges of the interstitium are responsible for about 40% of the total albumin exclusion in skeletal muscle and 25% in the whole skin tissue and thus, contribute significantly to volume exclusion in these tissues.

ESIprot: a universal tool for charge state determination and molecular weight calculation of proteins from electrospray ionization mass spectrometry data.

PubMed

Winkler, Robert

2010-02-01

Electrospray ionization (ESI) ion trap mass spectrometers with relatively low resolution are frequently used for the analysis of natural products and peptides. Although ESI spectra of multiply charged protein molecules also can be measured on this type of devices, only average spectra are produced for the majority of naturally occurring proteins. Evaluating such ESI protein spectra would provide valuable information about the native state of investigated proteins. However, no suitable and freely available software could be found which allows the charge state determination and molecular weight calculation of single proteins from average ESI-MS data. Therefore, an algorithm based on standard deviation optimization (scatter minimization) was implemented for the analysis of protein ESI-MS data. The resulting software ESIprot was tested with ESI-MS data of six intact reference proteins between 12.4 and 66.7 kDa. In all cases, the correct charge states could be determined. The obtained absolute mass errors were in a range between -0.2 and 1.2 Da, the relative errors below 30 ppm. The possible mass accuracy allows for valid conclusions about the actual condition of proteins. Moreover, the ESIprot algorithm demonstrates an extraordinary robustness and allows spectral interpretation from as little as two peaks, given sufficient quality of the provided m/z data, without the necessity for peak intensity data. ESIprot is independent from the raw data format and the computer platform, making it a versatile tool for mass spectrometrists. The program code was released under the open-source GPLv3 license to support future developments of mass spectrometry software. Copyright 2010 John Wiley & Sons, Ltd.

Coulomb interactions in charged fluids.

PubMed

Vernizzi, Graziano; Guerrero-García, Guillermo Iván; de la Cruz, Monica Olvera

2011-07-01

The use of Ewald summation schemes for calculating long-range Coulomb interactions, originally applied to ionic crystalline solids, is a very common practice in molecular simulations of charged fluids at present. Such a choice imposes an artificial periodicity which is generally absent in the liquid state. In this paper we propose a simple analytical O(N(2)) method which is based on Gauss's law for computing exactly the Coulomb interaction between charged particles in a simulation box, when it is averaged over all possible orientations of a surrounding infinite lattice. This method mitigates the periodicity typical of crystalline systems and it is suitable for numerical studies of ionic liquids, charged molecular fluids, and colloidal systems with Monte Carlo and molecular dynamics simulations.

Burden of hospitalizations for bicycling injuries by motor vehicle involvement: United States, 2002 to 2009.

PubMed

Hamann, Cara; Peek-Asa, Corinne; Lynch, Charles F; Ramirez, Marizen; Torner, James

2013-11-01

Bicycling and bicycling injuries have increased during the past decade in the United States, but research on the extent and outcomes of injuries has lagged behind. This study aimed to estimate the current burden of injury from bicycling injury hospitalizations by motor vehicle crash (MVC) and non-MVC in the United States. We included patients with primary or secondary diagnosis e-codes corresponding to MVC or non-MVC bicycle injury, drawn from the US Nationwide Inpatient Sample (2002-2009). Descriptive statistics, linear regression, and logistic regression were used to examine patient and hospital characteristics (length of stay, total charges, nonroutine discharges, and demographics) associated with hospitalizations for bicycling injuries by motor vehicle involvement. On average, from 2002 to 2009, there were an annually estimated 6,877 MVC and 18,457 non-MVC bicycle injury hospitalizations nationwide. This translates to more than $1 billion of hospital charges overall, $425 million for MVC and $588 million for non-MVC per year. After controlling for covariates, MVC bicycling injury hospitalizations had an average length of stay that was 2 days longer (95% confidence interval [CI], 1.8-2.3) and an average hospitalization charge of $23,424 more (95% CI, $21,360-$25,538) than non-MVC. Those with MVC bicycling injuries were more than two times as likely to have a nonroutine hospital discharge than non-MVC (odds ratio, 2.22; 95% CI, 2.06-2.39). The burden of injury from bicycle crashes is large overall, and MVC-related bicycling injuries result in longer hospital stays, higher costs, and more nonroutine hospital discharges than non-MVC, despite the fact that non-MVC hospitalizations are more frequent and result in higher total charges, overall. To have the greatest impact on reducing the burden of injury from bicycle crashes, educational interventions, policy, and infrastructure changes should include all age groups and prioritize reducing bicycle-motor vehicle collisions. Epidemiologic study, level III.

Measurement of Reconstructed Charged Particle Multiplicities of Neutrino Interactions in MicroBooNE

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

Rafique, Aleena

2017-09-25

Here, we compare the observed charged particle multiplicity distributions in the MicroBooNE liquid argon time projection chamber from neutrino interactions in a restricted final state phase space to predictions of this distribution from several GENIE models. The measurement uses a data sample consisting of neutrino interactions with a final state muon candidate fully contained within the MicroBooNE detector. These data were collected in 2015-2016 with the Fermilab Booster Neutrino Beam (BNB), which has an average neutrino energy of 800 MeV, using an exposure corresponding to 5e19 protons-on-target. The analysis employs fully automatic event selection and charged particle track reconstruction andmore » uses a data-driven technique to determine the contribution to each multiplicity bin from neutrino interactions and cosmic-induced backgrounds. The restricted phase space employed makes the measurement most sensitive to the higher-energy charged particles expected from primary neutrino-argon collisions and less sensitive to lower energy protons expected to be produced in final state interactions of collision products with the target argon nucleus.« less

Regional Variability and Uncertainty of Electric Vehicle Life Cycle CO₂ Emissions across the United States.

PubMed

Tamayao, Mili-Ann M; Michalek, Jeremy J; Hendrickson, Chris; Azevedo, Inês M L

2015-07-21

We characterize regionally specific life cycle CO2 emissions per mile traveled for plug-in hybrid electric vehicles (PHEVs) and battery electric vehicles (BEVs) across the United States under alternative assumptions for regional electricity emission factors, regional boundaries, and charging schemes. We find that estimates based on marginal vs average grid emission factors differ by as much as 50% (using National Electricity Reliability Commission (NERC) regional boundaries). Use of state boundaries versus NERC region boundaries results in estimates that differ by as much as 120% for the same location (using average emission factors). We argue that consumption-based marginal emission factors are conceptually appropriate for evaluating the emissions implications of policies that increase electric vehicle sales or use in a region. We also examine generation-based marginal emission factors to assess robustness. Using these two estimates of NERC region marginal emission factors, we find the following: (1) delayed charging (i.e., starting at midnight) leads to higher emissions in most cases due largely to increased coal in the marginal generation mix at night; (2) the Chevrolet Volt has higher expected life cycle emissions than the Toyota Prius hybrid electric vehicle (the most efficient U.S. gasoline vehicle) across the U.S. in nearly all scenarios; (3) the Nissan Leaf BEV has lower life cycle emissions than the Prius in the western U.S. and in Texas, but the Prius has lower emissions in the northern Midwest regardless of assumed charging scheme and marginal emissions estimation method; (4) in other regions the lowest emitting vehicle depends on charge timing and emission factor estimation assumptions.

Effect of charge on the conformation of highly basic peptides including the tail regions of histone proteins by ion mobility mass spectrometry.

PubMed

Akashi, Satoko; Downard, Kevin M

2016-09-01

The first systematic and comprehensive study of the charging behaviour and effect of charge on the conformation of specifically constructed arginine-rich peptides and its significance to the N- and C-terminal basic tail regions of histone proteins was conducted using ion mobility mass spectrometry (IM-MS). Among the basic amino acids, arginine has the greatest impact on the charging behaviour and structures of gas phase ions by virtue of its high proton affinity. A close linear correlation was found between either the maximum charge, or most abundant charge state, that the peptides support and their average collision cross section (CCS) values measured by ion mobility mass spectrometry. The calculated collision cross sections for the lowest energy solution state models predicted by the PEP-FOLD algorithm using a modified MOBCAL trajectory method were found to best correlate with the values measured by IM-MS. In the case of the histone peptides, more compact folded structures, supporting less than the maximum number of charges, were observed. These results are consistent with those previously reported for histone dimers where neutralization of the charge at the basic residues of the tail regions did not affect their CCS values.

Effect of battery state of charge on fuel use and pollutant emissions of a full hybrid electric light duty vehicle

NASA Astrophysics Data System (ADS)

Duarte, G. O.; Varella, R. A.; Gonçalves, G. A.; Farias, T. L.

2014-01-01

This research work focuses on evaluating the effect of battery state of charge (SOC) in the fuel consumption and gaseous pollutant emissions of a Toyota Prius Full Hybrid Electric Vehicle, using the Vehicle Specific Power Methodology. Information on SOC, speed and engine management was obtained from the OBD interface, with additional data collected from a 5 gas analyzer and GPS receiver with barometric altimeter. Compared with average results, 40-50% battery SOC presented higher fuel consumption (57%), as well as higher CO2 (56%), CO (27%) and NOx (55.6%) emissions. For battery SOC between 50 and 60%, fuel consumption and CO2 were 9.7% higher, CO was 1.6% lower and NOx was 20.7% lower than average. For battery SOC between 60 and 70%, fuel consumption was 3.4% lower, CO2 was 3.6% lower, CO was 6.9% higher and NOx was 24.4% higher than average. For battery SOC between 70 and 80%, fuel consumption was 39.9% lower, CO2 was 38% lower, CO was 33.9% lower and NOx was 61.4% lower than average. The effect of engine OFF periods was analyzed for CO and NOx emissions. For OFF periods higher than 30 s, increases of 63% and 73% respectively were observed.

Mechanisms Inducing Jet Rotation in Shear-Formed Shaped-Charge Liners.

DTIC Science & Technology

1990-03-01

of deviatoric strain, and compressibility affects only the equation of state , not the deviatoric stress /strain relation. An anisotropic formulation is...strains, a more accurate scalar equation of state should simultaneously be employed to account for non-linear compressibility effects . A4 A.3 Elastic... obtainable knowing the previous and present cycles’ average stress . However, many non-linear equations

Variations in Patterns of Utilization and Charges for the Care of Neck Pain in North Carolina, 2000 to 2009: A Statewide Claims' Data Analysis.

PubMed

Hurwitz, Eric L; Li, Dongmei; Guillen, Jenni; Schneider, Michael J; Stevans, Joel M; Phillips, Reed B; Phelan, Shawn P; Lewis, Eugene A; Armstrong, Richard C; Vassilaki, Maria

2016-05-01

The purpose of the study was to compare utilization and charges generated by medical doctors (MD), doctors of chiropractic (DC) and physical therapists (PT) by provider patterns of care for the treatment of neck pain in North Carolina. This was an analysis of neck-pain-related closed claim data from the North Carolina State Health Plan for Teachers and State Employees (NCSHP) from 2000 to 2009. Data were extracted from Blue Cross Blue Shield of North Carolina for the NCSHP using ICD-9 diagnostic codes for uncomplicated neck pain (UNP) and complicated neck pain (CNP). Care patterns with single-provider types and no referrals incurred the least average charges for both UNP and CNP. When care did not include referral providers or services, for either UNP or CNP, MD care with PT was generally less expensive than MD care with DC care. However, when care involved referral providers or services, MD and PT care was on average more expensive than MD and DC care for either UNP or CNP. Risk-adjusted charges for patients in the middle quintile of risk (available 2006-2009) were lower for chiropractic patients with or without medical care or referral care to other providers. Chiropractic care alone or DC with MD care incurred appreciably fewer charges for UNP or CNP compared to MD care with or without PT care, when care included referral providers or services. This finding was reversed when care did not include referral providers or services. Risk-adjusted charges for UNP and CNP patients were lower for DC care patterns. Copyright © 2016 National University of Health Sciences. Published by Elsevier Inc. All rights reserved.

Thomson scattering in the average-atom approximation.

PubMed

Johnson, W R; Nilsen, J; Cheng, K T

2012-09-01

The average-atom model is applied to study Thomson scattering of x-rays from warm dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) are obtained from the average-atom model. The resulting analysis provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, and titanium plasmas. In the case of titanium, bound states are predicted to modify the spectrum significantly.

43 CFR 426.19 - District responsibilities.

Code of Federal Regulations, 2011 CFR

2011-10-01

... district that delivers irrigation water to nonexempt land under a contract with the United States must: (a... entitlements, and must not average the costs over the entire district, unless the charges prove uncollectible... director; (h) Withhold deliveries of irrigation water to any landholder not eligible to receive irrigation...

43 CFR 426.19 - District responsibilities.

Code of Federal Regulations, 2013 CFR

2013-10-01

... district that delivers irrigation water to nonexempt land under a contract with the United States must: (a... entitlements, and must not average the costs over the entire district, unless the charges prove uncollectible... director; (h) Withhold deliveries of irrigation water to any landholder not eligible to receive irrigation...

43 CFR 426.19 - District responsibilities.

Code of Federal Regulations, 2010 CFR

2010-10-01

... district that delivers irrigation water to nonexempt land under a contract with the United States must: (a... entitlements, and must not average the costs over the entire district, unless the charges prove uncollectible... director; (h) Withhold deliveries of irrigation water to any landholder not eligible to receive irrigation...

43 CFR 426.19 - District responsibilities.

Code of Federal Regulations, 2012 CFR

2012-10-01

... district that delivers irrigation water to nonexempt land under a contract with the United States must: (a... entitlements, and must not average the costs over the entire district, unless the charges prove uncollectible... director; (h) Withhold deliveries of irrigation water to any landholder not eligible to receive irrigation...

43 CFR 426.19 - District responsibilities.

Code of Federal Regulations, 2014 CFR

2014-10-01

... district that delivers irrigation water to nonexempt land under a contract with the United States must: (a... entitlements, and must not average the costs over the entire district, unless the charges prove uncollectible... director; (h) Withhold deliveries of irrigation water to any landholder not eligible to receive irrigation...

Insights into the sequence parameters for halophilic adaptation.

PubMed

Nath, Abhigyan

2016-03-01

The sequence parameters for halophilic adaptation are still not fully understood. To understand the molecular basis of protein hypersaline adaptation, a detailed analysis is carried out, and investigated the likely association of protein sequence attributes to halophilic adaptation. A two-stage strategy is implemented, where in the first stage a supervised machine learning classifier is build, giving an overall accuracy of 86 % on stratified tenfold cross validation and 90 % on blind testing set, which are better than the previously reported results. The second stage consists of statistical analysis of sequence features and possible extraction of halophilic molecular signatures. The results of this study showed that, halophilic proteins are characterized by lower average charge, lower K content, and lower S content. A statistically significant preference/avoidance list of sequence parameters is also reported giving insights into the molecular basis of halophilic adaptation. D, Q, E, H, P, T, V are significantly preferred while N, C, I, K, M, F, S are significantly avoided. Among amino acid physicochemical groups, small, polar, charged, acidic and hydrophilic groups are preferred over other groups. The halophilic proteins also showed a preference for higher average flexibility, higher average polarity and avoidance for higher average positive charge, average bulkiness and average hydrophobicity. Some interesting trends observed in dipeptide counts are also reported. Further a systematic statistical comparison is undertaken for gaining insights into the sequence feature distribution in different residue structural states. The current analysis may facilitate the understanding of the mechanism of halophilic adaptation clearer, which can be further used for rational design of halophilic proteins.

Role of carrier density and disorder on anisotropic charge transport in polypyrrole

NASA Astrophysics Data System (ADS)

Varade, Vaibhav; Anjaneyulu, P.; Suchand Sangeeth, C. S.; Ramesh, K. P.; Menon, Reghu

2013-01-01

Polypyrrole (PPy) has been synthesized electrochemically on platinum substrate by varying synthesis temperature and dopant concentration. The charge transport in PPy has been investigated as a function of temperature for both in-plane and out-of-plane geometry in a wide temperature range of 5 K-300 K. The charge transport showed strong anisotropy and various mechanisms were used to explain the transport. The conductivity ratio, σr = σ(300 K)/σ(5 K) is calculated for each sample to quantify the relative disorder. At all the temperatures, the conductivity values for in-plane transport are found to be more for PPy synthesized at lower temperature, while the behavior is found to be different for out-of-plane transport. The carrier density is found to play a crucial role in case of in-plane transport. An effort has been made to correlate charge transport to morphology by analyzing temperature and frequency dependence of conductivity. Charge transport in lateral direction is found to be dominated by hopping whereas tunneling mechanisms are dominated in vertical direction. Parameters such as density of states at the Fermi level [N(EF)], average hopping distance (R), and average hopping energy (W) have been estimated for each samples in both geometry.

Laser acceleration of electrons to giga-electron-volt energies using highly charged ions.

PubMed

Hu, S X; Starace, Anthony F

2006-06-01

The recent proposal to use highly charged ions as sources of electrons for laser acceleration [S. X. Hu and A. F. Starace, Phys. Rev. Lett. 88, 245003 (2002)] is investigated here in detail by means of three-dimensional, relativistic Monte Carlo simulations for a variety of system parameters, such as laser pulse duration, ionic charge state, and laser focusing spot size. Realistic laser focusing effects--e.g., the existence of longitudinal laser field components-are taken into account. Results of spatial averaging over the laser focus are also presented. These numerical simulations show that the proposed scheme for laser acceleration of electrons from highly charged ions is feasible with current or near-future experimental conditions and that electrons with GeV energies can be obtained in such experiments.

Characteristics of dielectric properties and conduction mechanism of TlInS2:Cu single crystals

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Ali, H. A. M.; El-Zaidia, E. F. M.

2013-12-01

Single crystals of TlInS2:Cu were grown by the modified Bridgman method. The dielectric behavior of TlInS2:Cu was investigated using the impedance spectroscopy technique. The real (ε1), imaginary (ε2) parts of complex dielectric permittivity and ac conductivity were measured in the frequency range (42-2×105) Hz with a variation of temperature in the range from 291 K to 483 K. The impedance data were presented in Nyquist diagrams for different temperatures. The frequency dependence of σtot (ω) follows the Jonscher's universal dynamic law with the relation σtot (ω)=σdc+Aωs, (where s is the frequency exponent). The mechanism of the ac charge transport across the layers of TlInS2:Cu single crystals was referred to the hopping over localized states near the Fermi level. The examined system exhibits temperature dependence of σac (ω), which showed a linear increase with the increase in temperature at different frequencies. Some parameters were calculated as: the density of localized states near the Fermi level, NF, the average time of charge carrier hopping between localized states, τ, and the average hopping distance, R.

Threshold-Based Random Charging Scheme for Decentralized PEV Charging Operation in a Smart Grid.

PubMed

Kwon, Ojin; Kim, Pilkee; Yoon, Yong-Jin

2016-12-26

Smart grids have been introduced to replace conventional power distribution systems without real time monitoring for accommodating the future market penetration of plug-in electric vehicles (PEVs). When a large number of PEVs require simultaneous battery charging, charging coordination techniques have become one of the most critical factors to optimize the PEV charging performance and the conventional distribution system. In this case, considerable computational complexity of a central controller and exchange of real time information among PEVs may occur. To alleviate these problems, a novel threshold-based random charging (TBRC) operation for a decentralized charging system is proposed. Using PEV charging thresholds and random access rates, the PEVs themselves can participate in the charging requests. As PEVs with a high battery state do not transmit the charging requests to the central controller, the complexity of the central controller decreases due to the reduction of the charging requests. In addition, both the charging threshold and the random access rate are statistically calculated based on the average of supply power of the PEV charging system that do not require a real time update. By using the proposed TBRC with a tolerable PEV charging degradation, a 51% reduction of the PEV charging requests is achieved.

Threshold-Based Random Charging Scheme for Decentralized PEV Charging Operation in a Smart Grid

PubMed Central

Kwon, Ojin; Kim, Pilkee; Yoon, Yong-Jin

2016-01-01

Smart grids have been introduced to replace conventional power distribution systems without real time monitoring for accommodating the future market penetration of plug-in electric vehicles (PEVs). When a large number of PEVs require simultaneous battery charging, charging coordination techniques have become one of the most critical factors to optimize the PEV charging performance and the conventional distribution system. In this case, considerable computational complexity of a central controller and exchange of real time information among PEVs may occur. To alleviate these problems, a novel threshold-based random charging (TBRC) operation for a decentralized charging system is proposed. Using PEV charging thresholds and random access rates, the PEVs themselves can participate in the charging requests. As PEVs with a high battery state do not transmit the charging requests to the central controller, the complexity of the central controller decreases due to the reduction of the charging requests. In addition, both the charging threshold and the random access rate are statistically calculated based on the average of supply power of the PEV charging system that do not require a real time update. By using the proposed TBRC with a tolerable PEV charging degradation, a 51% reduction of the PEV charging requests is achieved. PMID:28035963

Solar photoionization as a loss mechanism of neutral interstellar hydrogen in interplanetary space

NASA Technical Reports Server (NTRS)

Ogawa, H. S.; Wu, C. Y. Robert; Gangopadhyay, P.; Judge, D. L.

1995-01-01

Two primary loss mechanisms of interstellar neutral hydrogen in interplanetary space are resonance charge exchange ionization with solar wind protons and photoionization by solar EUV radiation. The later process has often been neglected since the average photoionization rate has been estimated to be as much as 5 to 10 times smaller than the charge exchange rate. These factors are based on ionization rates from early measurements of solar EUV and solar wind fluxes. Using revised solar EUV and solar wind fluxes measured near the ecliptic plane we have reinvestigated the ionization rates of interplanetary hydrogen. The result of our analysis indicates that indeed the photoionization rate during solar minimum can be smaller than charge exchange by a factor of 5; however, during solar maximum conditions when solar EUV fluxes are high, and solar wind fluxes are low, photoionization can be over 60% of the charge exchange rate at Earth orbit. To obtain an accurate estimate of the importance of photoionization relative to charge exchange, we have included photoionization from both the ground and metastable states of hydrogen. We find, however, that the photoionization from the metastable state does not contribute significantly to the overall photoionization rate.

Coherent frequency bridge between visible and telecommunications band for vortex light.

PubMed

Liu, Shi-Long; Liu, Shi-Kai; Li, Yin-Hai; Shi, Shuai; Zhou, Zhi-Yuan; Shi, Bao-Sen

2017-10-02

In quantum communications, vortex photons can encode higher-dimensional quantum states and build high-dimensional communication networks (HDCNs). The interfaces that connect different wavelengths are significant in HDCNs. We construct a coherent orbital angular momentum (OAM) frequency bridge via difference frequency conversion in a nonlinear bulk crystal for HDCNs. Using a single resonant cavity, maximum quantum conversion efficiencies from visible to infrared are 36%, 15%, and 7.8% for topological charges of 0,1, and 2, respectively. The average fidelity obtained using quantum state tomography for the down-converted infrared OAM-state of topological charge 1 is 96.51%. We also prove that the OAM is conserved in this process by measuring visible and infrared interference patterns. This coherent OAM frequency-down conversion bridge represents a basis for an interface between two high-dimensional quantum systems operating with different spectra.

Trapping Dynamics in Photosystem I-Light Harvesting Complex I of Higher Plants Is Governed by the Competition Between Excited State Diffusion from Low Energy States and Photochemical Charge Separation.

PubMed

Molotokaite, Egle; Remelli, William; Casazza, Anna Paola; Zucchelli, Giuseppe; Polli, Dario; Cerullo, Giulio; Santabarbara, Stefano

2017-10-26

The dynamics of excited state equilibration and primary photochemical trapping have been investigated in the photosystem I-light harvesting complex I isolated from spinach, by the complementary time-resolved fluorescence and transient absorption approaches. The combined analysis of the experimental data indicates that the excited state decay is described by lifetimes in the ranges of 12-16 ps, 32-36 ps, and 64-77 ps, for both detection methods, whereas faster components, having lifetimes of 550-780 fs and 4.2-5.2 ps, are resolved only by transient absorption. A unified model capable of describing both the fluorescence and the absorption dynamics has been developed. From this model it appears that the majority of excited state equilibration between the bulk of the antenna pigments and the reaction center occurs in less than 2 ps, that the primary charge separated state is populated in ∼4 ps, and that the charge stabilization by electron transfer is completed in ∼70 ps. Energy equilibration dynamics associated with the long wavelength absorbing/emitting forms harbored by the PSI external antenna are also characterized by a time mean lifetime of ∼75 ps, thus overlapping with radical pair charge stabilization reactions. Even in the presence of a kinetic bottleneck for energy equilibration, the excited state dynamics are shown to be principally trap-limited. However, direct excitation of the low energy chlorophyll forms is predicted to lengthen significantly (∼2-folds) the average trapping time.

Interactions of hydrogen with amorphous hafnium oxide

NASA Astrophysics Data System (ADS)

Kaviani, Moloud; Afanas'ev, Valeri V.; Shluger, Alexander L.

2017-02-01

We used density functional theory (DFT) calculations to study the interaction of hydrogen with amorphous hafnia (a -HfO2 ) using a hybrid exchange-correlation functional. Injection of atomic hydrogen, its diffusion towards electrodes, and ionization can be seen as key processes underlying charge instability of high-permittivity amorphous hafnia layers in many applications. Hydrogen in many wide band gap crystalline oxides exhibits negative-U behavior (+1 and -1 charged states are thermodynamically more stable than the neutral state) . Our results show that in a -HfO2 hydrogen is also negative-U, with charged states being the most thermodynamically stable at all Fermi level positions. However, metastable atomic hydrogen can share an electron with intrinsic electron trapping precursor sites [Phys. Rev. B 94, 020103 (2016)., 10.1103/PhysRevB.94.020103] forming a [etr -+O -H ] center, which is lower in energy on average by about 0.2 eV. These electron trapping sites can affect both the dynamics and thermodynamics of the interaction of hydrogen with a -HfO2 and the electrical behavior of amorphous hafnia films in CMOS devices.

Measurement of neutrino-induced charged-current charged pion production cross sections on mineral oil at Eν˜1GeV

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A. A.; Anderson, C. E.; Bazarko, A. O.; Brice, S. J.; Brown, B. C.; Bugel, L.; Cao, J.; Coney, L.; Conrad, J. M.; Cox, D. C.; Curioni, A.; Dharmapalan, R.; Djurcic, Z.; Finley, D. A.; Fleming, B. T.; Ford, R.; Garcia, F. G.; Garvey, G. T.; Grange, J.; Green, C.; Green, J. A.; Hart, T. L.; Hawker, E.; Imlay, R.; Johnson, R. A.; Karagiorgi, G.; Kasper, P.; Katori, T.; Kobilarcik, T.; Kourbanis, I.; Koutsoliotas, S.; Laird, E. M.; Linden, S. K.; Link, J. M.; Liu, Y.; Liu, Y.; Louis, W. C.; Mahn, K. B. M.; Marsh, W.; Mauger, C.; McGary, V. T.; McGregor, G.; Metcalf, W.; Meyers, P. D.; Mills, F.; Mills, G. B.; Monroe, J.; Moore, C. D.; Mousseau, J.; Nelson, R. H.; Nienaber, P.; Nowak, J. A.; Osmanov, B.; Ouedraogo, S.; Patterson, R. B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Prebys, E.; Raaf, J. L.; Ray, H.; Roe, B. P.; Russell, A. D.; Sandberg, V.; Schirato, R.; Schmitz, D.; Shaevitz, M. H.; Shoemaker, F. C.; Smith, D.; Soderberg, M.; Sorel, M.; Spentzouris, P.; Spitz, J.; Stancu, I.; Stefanski, R. J.; Sung, M.; Tanaka, H. A.; Tayloe, R.; Tzanov, M.; van de Water, R.; Wascko, M. O.; White, D. H.; Wilking, M. J.; Yang, H. J.; Zeller, G. P.; Zimmerman, E. D.

2011-03-01

Using a high-statistics, high-purity sample of νμ-induced charged current, charged pion events in mineral oil (CH2), MiniBooNE reports a collection of interaction cross sections for this process. This includes measurements of the CCπ+ cross section as a function of neutrino energy, as well as flux-averaged single- and double-differential cross sections of the energy and direction of both the final-state muon and pion. In addition, each of the single-differential cross sections are extracted as a function of neutrino energy to decouple the shape of the MiniBooNE energy spectrum from the results. In many cases, these cross sections are the first time such quantities have been measured on a nuclear target and in the 1 GeV energy range.

Ultrafast large-amplitude relocation of electronic charge in ionic crystals

PubMed Central

Zamponi, Flavio; Rothhardt, Philip; Stingl, Johannes; Woerner, Michael; Elsaesser, Thomas

2012-01-01

The interplay of vibrational motion and electronic charge relocation in an ionic hydrogen-bonded crystal is mapped by X-ray powder diffraction with a 100 fs time resolution. Photoexcitation of the prototype material KH2PO4 induces coherent low-frequency motions of the PO4 tetrahedra in the electronically excited state of the crystal while the average atomic positions remain unchanged. Time-dependent maps of electron density derived from the diffraction data demonstrate an oscillatory relocation of electronic charge with a spatial amplitude two orders of magnitude larger than the underlying vibrational lattice motions. Coherent longitudinal optical and tranverse optical phonon motions that dephase on a time scale of several picoseconds, drive the charge relocation, similar to a soft (transverse optical) mode driven phase transition between the ferro- and paraelectric phase of KH2PO4. PMID:22431621

Laser acceleration of electrons to giga-electron-volt energies using highly charged ions

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

Hu, S. X.; Starace, Anthony F.

2006-06-15

The recent proposal to use highly charged ions as sources of electrons for laser acceleration [S. X. Hu and A. F. Starace, Phys. Rev. Lett. 88, 245003 (2002)] is investigated here in detail by means of three-dimensional, relativistic Monte Carlo simulations for a variety of system parameters, such as laser pulse duration, ionic charge state, and laser focusing spot size. Realistic laser focusing effects--e.g., the existence of longitudinal laser field components--are taken into account. Results of spatial averaging over the laser focus are also presented. These numerical simulations show that the proposed scheme for laser acceleration of electrons from highlymore » charged ions is feasible with current or near-future experimental conditions and that electrons with GeV energies can be obtained in such experiments.« less

Sulfonium Ion Derivatization, Isobaric Stable Isotope Labeling and Data Dependent CID- and ETD-MS/MS for Enhanced Phosphopeptide Quantitation, Identification and Phosphorylation Site Characterization

PubMed Central

Lu, Yali; Zhou, Xiao; Stemmer, Paul M.; Reid, Gavin E.

2014-01-01

An amine specific peptide derivatization strategy involving the use of novel isobaric stable isotope encoded ‘fixed charge’ sulfonium ion reagents, coupled with an analysis strategy employing capillary HPLC, ESI-MS, and automated data dependent ion trap CID-MS/MS, -MS3, and/or ETD-MS/MS, has been developed for the improved quantitative analysis of protein phosphorylation, and for identification and characterization of their site(s) of modification. Derivatization of 50 synthetic phosphopeptides with S,S′-dimethylthiobutanoylhydroxysuccinimide ester iodide (DMBNHS), followed by analysis using capillary HPLC-ESI-MS, yielded an average 2.5-fold increase in ionization efficiencies and a significant increase in the presence and/or abundance of higher charge state precursor ions compared to the non-derivatized phosphopeptides. Notably, 44% of the phosphopeptides (22 of 50) in their underivatized states yielded precursor ions whose maximum charge states corresponded to +2, while only 8% (4 of 50) remained at this maximum charge state following DMBNHS derivatization. Quantitative analysis was achieved by measuring the abundances of the diagnostic product ions corresponding to the neutral losses of ‘light’ (S(CH3)2) and ‘heavy’ (S(CD3)2) dimethylsulfide exclusively formed upon CID-MS/MS of isobaric stable isotope labeled forms of the DMBNHS derivatized phosphopeptides. Under these conditions, the phosphate group stayed intact. Access for a greater number of peptides to provide enhanced phosphopeptide sequence identification and phosphorylation site characterization was achieved via automated data-dependent CID-MS3 or ETD-MS/MS analysis due to the formation of the higher charge state precursor ions. Importantly, improved sequence coverage was observed using ETD-MS/MS following introduction of the sulfonium ion fixed charge, but with no detrimental effects on ETD fragmentation efficiency. PMID:21952753

The effect of malpractice reform on emergency department care.

PubMed

Waxman, Daniel A; Greenberg, Michael D; Ridgely, M Susan; Kellermann, Arthur L; Heaton, Paul

2014-10-16

Many believe that fear of malpractice lawsuits drives physicians to order otherwise unnecessary care and that legal reforms could reduce such wasteful spending. Emergency physicians practice in an information-poor, resource-rich environment that may lend itself to costly defensive practice. Three states, Texas (in 2003), Georgia (in 2005), and South Carolina (in 2005), enacted legislation that changed the malpractice standard for emergency care to gross negligence. We investigated whether these substantial reforms changed practice. Using a 5% random sample of Medicare fee-for-service beneficiaries, we identified all emergency department visits to hospitals in the three reform states and in neighboring (control) states from 1997 through 2011. Using a quasi-experimental design, we compared patient-level outcomes, before and after legislation, in reform states and control states. We controlled for characteristics of the patients, time-invariant hospital characteristics, and temporal trends. Outcomes were policy-attributable changes in the use of computed tomography (CT) or magnetic resonance imaging (MRI), per-visit emergency department charges, and the rate of hospital admissions. For eight of the nine state-outcome combinations tested, no policy-attributable reduction in the intensity of care was detected. We found no reduction in the rates of CT or MRI utilization or hospital admission in any of the three reform states and no reduction in charges in Texas or South Carolina. In Georgia, reform was associated with a 3.6% reduction (95% confidence interval, 0.9 to 6.2) in per-visit emergency department charges. Legislation that substantially changed the malpractice standard for emergency physicians in three states had little effect on the intensity of practice, as measured by imaging rates, average charges, or hospital admission rates. (Funded by the Veterans Affairs Office of Academic Affiliations and others.).

Alternative Computational Protocols for Supercharging Protein Surfaces for Reversible Unfolding and Retention of Stability

PubMed Central

Der, Bryan S.; Kluwe, Christien; Miklos, Aleksandr E.; Jacak, Ron; Lyskov, Sergey; Gray, Jeffrey J.; Georgiou, George; Ellington, Andrew D.; Kuhlman, Brian

2013-01-01

Reengineering protein surfaces to exhibit high net charge, referred to as “supercharging”, can improve reversibility of unfolding by preventing aggregation of partially unfolded states. Incorporation of charged side chains should be optimized while considering structural and energetic consequences, as numerous mutations and accumulation of like-charges can also destabilize the native state. A previously demonstrated approach deterministically mutates flexible polar residues (amino acids DERKNQ) with the fewest average neighboring atoms per side chain atom (AvNAPSA). Our approach uses Rosetta-based energy calculations to choose the surface mutations. Both protocols are available for use through the ROSIE web server. The automated Rosetta and AvNAPSA approaches for supercharging choose dissimilar mutations, raising an interesting division in surface charging strategy. Rosetta-supercharged variants of GFP (RscG) ranging from −11 to −61 and +7 to +58 were experimentally tested, and for comparison, we re-tested the previously developed AvNAPSA-supercharged variants of GFP (AscG) with +36 and −30 net charge. Mid-charge variants demonstrated ∼3-fold improvement in refolding with retention of stability. However, as we pushed to higher net charges, expression and soluble yield decreased, indicating that net charge or mutational load may be limiting factors. Interestingly, the two different approaches resulted in GFP variants with similar refolding properties. Our results show that there are multiple sets of residues that can be mutated to successfully supercharge a protein, and combining alternative supercharge protocols with experimental testing can be an effective approach for charge-based improvement to refolding. PMID:23741319

40 CFR 60.2916 - What operating limits must I meet and by when?

Code of Federal Regulations, 2013 CFR

2013-07-01

... intermittent units, maximum charge rate is the average charge rate measured during the most recent performance... charge rate is the charge rate measured during the most recent performance test demonstrating compliance... calculated as the average pressure drop across the wet scrubber measured during the most recent performance...

40 CFR 60.2916 - What operating limits must I meet and by when?

Code of Federal Regulations, 2014 CFR

2014-07-01

... intermittent units, maximum charge rate is the average charge rate measured during the most recent performance... charge rate is the charge rate measured during the most recent performance test demonstrating compliance... calculated as the average pressure drop across the wet scrubber measured during the most recent performance...

A study of the energy dependence of the underlying event in proton-antiproton collisions

DOE PAGES

Aaltonen, T.

2015-11-23

We study charged particle production (p T > 0.5 GeV/c, |η| < 0.8) in proton-antiproton collisions at 300 GeV, 900 GeV, and 1.96 TeV. We use the direction of the charged particle with the largest transverse momentum in each event to define three regions of η-Φspace; “toward”, “away”, and “transverse”. Furthermore, the average number and the average scalar p T sum of charged particles in the transverse region are sensitive to the modeling of the “underlying event”. The transverse region is divided into a MAX and MIN transverse region, which helps separate the “hard component” (initial and final-state radiation) frommore » the “beam-beam remnant” and multiple parton interaction components of the scattering. We found that the center-of-mass energy dependence of the various components of the event are studied in detail. The data presented here can be used to constrain and improve QCD Monte Carlo models, resulting in more precise predictions at the LHC energies of 13 and 14 TeV.« less

Medical expenditures in division I collegiate athletics: an analysis by sport and gender.

PubMed

Kaeding, Christopher C; Borchers, James; Oman, Janine; Pedroza, Angela

2014-09-01

Medical expenses for collegiate athletics include providing a training room with its supplies, equipment, personnel costs, and insurance coverage. Additional expenses beyond the training room include imaging, diagnostic testing, specialty consultations, and surgeries. We hypothesized that there would be no difference in average expenses or number of claims between male and female athletes over a 5-year period. Prospective patient cohort. A sports medicine center serving athletes in Big 10 Conference intercollegiate sports. All medical claims and charges for 36 varsity teams were analyzed from 2005 to 2010. The teams were categorized into 3 groups: female-only teams, male-only teams, and coed teams. Analysis of sports with corresponding male and female teams was also performed. Claims and charges for medical care for 36 intercollegiate athletic teams over 5 years. Individual team claims and charges were stable over the study period. In 11 of the 14 sex-matched sports, the female teams had higher average annual charges. After normalizing for roster size in the sex-matched sports, females had 0.97 more average annual claims (P < 0.01) and $1459 higher annual charges (P = 0.001) than their male counterparts. The charges per claim were similar between the sexes. The 5 teams with the highest average annual charges were football, wrestling, softball, women's crew, and men's lacrosse. When normalized for roster size, the 5 sports with the highest average annual charges per athlete were softball, women's diving, men's basketball, wrestling, and men's gymnastics. Charges per claim were similar between the sex-matched sports, but the female sports had a higher number of annual claims per athlete and thus higher total charges per athlete/year. Football had the highest average annual total charges as a team, but when normalized for roster size football charges per athlete/year were similar to those of other sports.

Alternate charging and discharging of capacitor to enhance the electron production of bioelectrochemical systems.

PubMed

Liang, Peng; Wu, Wenlong; Wei, Jincheng; Yuan, Lulu; Xia, Xue; Huang, Xia

2011-08-01

A bioelectrochemical system (BES) can be operated in both "microbial fuel cell" (MFC) and "microbial electrolysis cell" (MEC) modes, in which power is delivered and invested respectively. To enhance the electric current production, a BES was operated in MFC mode first and a capacitor was used to collect power from the system. Then the charged capacitor discharged electrons to the system itself, switching into MEC mode. This alternate charging and discharging (ACD) mode helped the system produce 22-32% higher average current compared to an intermittent charging (IC) mode, in which the capacitor was first charged from an MFC and then discharged to a resistor, at 21.6 Ω external resistance, 3.3 F capacitance and 300 mV charging voltage. The effects of external resistance, capacitance and charging voltage on average current were studied. The average current reduced as the external resistance and charging voltage increased and was slightly affected by the capacitance. Acquisition of higher average current in the ACD mode was attributed to the shorter discharging time compared to the charging time, as well as a higher anode potential caused by discharging the capacitor. Results from circuit analysis and quantitatively calculation were consistent with the experimental observations.

Predicting Energy Consumption for Potential Effective Use in Hybrid Vehicle Powertrain Management Using Driver Prediction

NASA Astrophysics Data System (ADS)

Magnuson, Brian

A proof-of-concept software-in-the-loop study is performed to assess the accuracy of predicted net and charge-gaining energy consumption for potential effective use in optimizing powertrain management of hybrid vehicles. With promising results of improving fuel efficiency of a thermostatic control strategy for a series, plug-ing, hybrid-electric vehicle by 8.24%, the route and speed prediction machine learning algorithms are redesigned and implemented for real- world testing in a stand-alone C++ code-base to ingest map data, learn and predict driver habits, and store driver data for fast startup and shutdown of the controller or computer used to execute the compiled algorithm. Speed prediction is performed using a multi-layer, multi-input, multi- output neural network using feed-forward prediction and gradient descent through back- propagation training. Route prediction utilizes a Hidden Markov Model with a recurrent forward algorithm for prediction and multi-dimensional hash maps to store state and state distribution constraining associations between atomic road segments and end destinations. Predicted energy is calculated using the predicted time-series speed and elevation profile over the predicted route and the road-load equation. Testing of the code-base is performed over a known road network spanning 24x35 blocks on the south hill of Spokane, Washington. A large set of training routes are traversed once to add randomness to the route prediction algorithm, and a subset of the training routes, testing routes, are traversed to assess the accuracy of the net and charge-gaining predicted energy consumption. Each test route is traveled a random number of times with varying speed conditions from traffic and pedestrians to add randomness to speed prediction. Prediction data is stored and analyzed in a post process Matlab script. The aggregated results and analysis of all traversals of all test routes reflect the performance of the Driver Prediction algorithm. The error of average energy gained through charge-gaining events is 31.3% and the error of average net energy consumed is 27.3%. The average delta and average standard deviation of the delta of predicted energy gained through charge-gaining events is 0.639 and 0.601 Wh respectively for individual time-series calculations. Similarly, the average delta and average standard deviation of the delta of the predicted net energy consumed is 0.567 and 0.580 Wh respectively for individual time-series calculations. The average delta and standard deviation of the delta of the predicted speed is 1.60 and 1.15 respectively also for the individual time-series measurements. The percentage of accuracy of route prediction is 91%. Overall, test routes are traversed 151 times for a total test distance of 276.4 km.

A systemic investigation of hydrogen peroxide clusters (H2O2)n (n = 1-6) and liquid-state hydrogen peroxide: based on atom-bond electronegativity equalization method fused into molecular mechanics and molecular dynamics.

PubMed

Yu, Chun-Yang; Yang, Zhong-Zhi

2011-03-31

Hydrogen peroxide (HP) clusters (H(2)O(2))(n) (n = 1-6) and liquid-state HP have been systemically investigated by the newly constructed ABEEM/MM fluctuating charge model. Because of the explicit description of charge distribution and special treatment of the hydrogen-bond interaction region, the ABEEM/MM potential model gives reasonable properties of HP clusters, including geometries, interaction energies, and dipole moments, when comparing with the present ab initio results. Meanwhile, the average dipole moment, static dielectric constant, heats of vaporization, radial distribution function, and diffusion constant for the dynamic properties of liquid HP at 273 K and 1 atm are fairly consistent with the available experimental data. To the best of our knowledge, this is the first theoretical investigation of condensed HP. The properties of HP monomer are studied in detail involving the structure, torsion potentials, molecular orbital analysis, charge distribution, dipole moment, and vibrational frequency.

CHILDREN HOSPITALIZED WITH LOWER EXTREMITY FRACTURES IN THE UNITED STATES IN 2006: A POPULATION-BASED APPROACH

PubMed Central

Gao, Yubo

2011-01-01

OBJECTIVE The purpose of this study was to examine the demographic and hospitalization characteristics of children hospitalized with lower extremity fractures in the United States in 2006. METHODS Children aged 0 to 20 years with a diagnosis of lower extremity fracture in the 2006 Healthcare Cost and Utilization Project Kids’ Inpatient Database (KID) were included. Lower extremity fractures were defined by International Classification of Diseases, 9th Revision, Clinical Modification codes 820-829 under “Injury and Poisoning (800-999).” Patient demographic and hospitalization-related data were analyzed by chi-square testing and unbalanced analysis of variance. RESULTS There were more boys than girls with lower extremity fractures and 53% had private insurance as their primary payer. About one half of the children were between the ages of 13 and 20 years, but all ages were represented from age 0 to 20. White children accounted for 56%. Urban hospitalizations accounted for 93% of cases and 66 percent of admissions were to teaching hospitals. All patients had an average length of stay (LOS) 4.04 days, and infant patients had the longest average LOS of 5.46 days. The average number of diagnoses per patient was 3.07, and the average number of procedures per patient was 2.21. The average charge per discharge was $35,236, and the oldest patients had the largest average charge of $41,907. The average number of comorbidities increased with increasing patient age. There was a 55.6% greater mortality risk in non-teaching hospitals than in teaching hospitals and there was at least ten times the mortality risk in rural hospitals than in urban hospitals. CONCLUSIONS This study provides an understanding of the demographic and hospitalization characteristics of children with lower extremity fractures in the United States in 2006. This information may be useful in implementing measures to help prevent similar injuries in the future. Further research is required to determine causality of the associations found including increased mortality risk for this population at rural and non-teaching hospitals. PMID:22096438

Children hospitalized with lower extremity fractures in the United States in 2006: a population-based approach.

PubMed

Gao, Yubo

2011-01-01

The purpose of this study was to examine the demographic and hospitalization characteristics of children hospitalized with lower extremity fractures in the United States in 2006. Children aged 0 to 20 years with a diagnosis of lower extremity fracture in the 2006 Healthcare Cost and Utilization Project Kids' Inpatient Database (KID) were included. Lower extremity fractures were defined by International Classification of Diseases, 9th Revision, Clinical Modification codes 820-829 under "Injury and Poisoning (800-999)." Patient demographic and hospitalization-related data were analyzed by chi-square testing and unbalanced analysis of variance. There were more boys than girls with lower extremity fractures and 53% had private insurance as their primary payer. About one half of the children were between the ages of 13 and 20 years, but all ages were represented from age 0 to 20. White children accounted for 56%. Urban hospitalizations accounted for 93% of cases and 66 percent of admissions were to teaching hospitals. All patients had an average length of stay (LOS) 4.04 days, and infant patients had the longest average LOS of 5.46 days. The average number of diagnoses per patient was 3.07, and the average number of procedures per patient was 2.21. The average charge per discharge was $35,236, and the oldest patients had the largest average charge of $41,907. The average number of comorbidities increased with increasing patient age. There was a 55.6% greater mortality risk in non-teaching hospitals than in teaching hospitals and there was at least ten times the mortality risk in rural hospitals than in urban hospitals. This study provides an understanding of the demographic and hospitalization characteristics of children with lower extremity fractures in the United States in 2006. This information may be useful in implementing measures to help prevent similar injuries in the future. Further research is required to determine causality of the associations found including increased mortality risk for this population at rural and non-teaching hospitals.

A financial analysis of maxillomandibular fixation versus rigid internal fixation for treatment of mandibular fractures.

PubMed

Schmidt, B L; Kearns, G; Gordon, N; Kaban, L B

2000-11-01

The aim of this study was to compare the cost-effectiveness of mandibular fracture treatment by closed reduction with maxillomandibular fixation (CRF) with open reduction and rigid internal fixation (ORIF). This was a retrospective study of 85 patients admitted to the Oral and Maxillofacial Surgery Service at San Francisco General Hospital and treated for mandibular fractures from January 1 to December 31, 1993. The patients were divided into 2 groups: 1) those treated with CRF and 2) those treated with ORIF. The outcome variables were length of hospital stay, duration of anesthesia, and time in operating room. The charge for primary fracture treatment included the fees for the operation and hospitalization without any complications. Within the group of 85 patients treated for mandibular fractures in 1993, 10 patients treated with CRF and 10 patients treated with ORIF were randomly selected, and hospital billing statements were used to estimate the average charge of primary treatment. The average charge to manage a major postoperative infection also was estimated based on the billing statements of 10 randomly selected patients treated in 1992 (5 treated with CRF, 5 with ORIF) who required hospital admission for the management of a complication. The average total charge was computed by using the average charge for primary treatment plus the incidence of postoperative infection multiplied by the average charge for management of that complication. Eighty-five patients were included in the study. The average charge for primary treatment was $10,100 for the CRF group and $28,362 for the ORIF group. The average charge for the inpatient management of a major postoperative infection was $26,671 for the CRF group and $39,213 for the ORIF group. The average total charge for management of a mandible fracture with CRF was $10,927; the total charge for the ORIF group was $34,636. The results of this retrospective study suggest that the use of CRF in the management of mandibular fractures at our institution provides considerable savings over treatment by using ORIF. The use of ORIF should be reserved for patients and fracture types with specific indications.

Economic recession and headache-related hospital admissions.

PubMed

Chinta, Ravi; Rao, M B; Narendran, Vivek; Malla, Ganesh; Joshi, Hem

2013-01-01

Incidence of headaches across different regions and its relationship to unemployment rates in the United States before and during an economic recession was evaluated. Years 2008 and 2009 were determined as recessionary period. Headache-related admissions, particularly the uncomplicated headaches, increased significantly during recession. Proportion of women with headaches has increased and the age group of 25-54 years was the most affected during the recession. The hospital charges have increased even though the average length and charge of stay decreased. These findings are consistent with our understanding of effects of stress and unemployment on psychological and physical health.

Electrical conductivity and dielectric properties of TlInS2 single crystals

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Youssef, S. B.; Ali, H. A. M.; Hassan, A.

2011-07-01

TlInS2 single crystals were grown by using Bridgman-Stockbauer technique. Measurements of DC conductivity were carried out in parallel (σ//) and perpendicular (σ⊥) directions to the c-axis over a temperature range from 303 to 463 K. The anisotropic behaviour of the electrical conductivity was also detected. AC conductivity and dielectric measurements were studied as a function of both frequency (102-106 Hz) and temperature (297-375 K). The frequency dependence of the AC conductivity revealed that σac(ω) obeys the universal law: σac(ω) = Aωs. The mechanism of the ac charge transport across the layers of TlInS2 single crystals was referred to the hopping over localized states near the Fermi level in the frequency range >3.5 × 103 Hz. The temperature dependence of σac(ω) for TlInS2 showed that σac is thermally activated process. Both of ɛ1 and ɛ2 decrease by increasing frequency and increase by increasing temperature. Some parameters were calculated as: the density of localized states near the Fermi level NF = 1.5 × 1020 eV-1 cm-3, the average time of charge carrier hoping between localized states τ = 3.79 μs and the average hopping distance R = 6.07 nm.

A model to determine payments associated with radiology procedures.

PubMed

Mabotuwana, Thusitha; Hall, Christopher S; Thomas, Shiby; Wald, Christoph

2017-12-01

Across the United States, there is a growing number of patients in Accountable Care Organizations and under risk contracts with commercial insurance. This is due to proliferation of new value-based payment models and care delivery reform efforts. In this context, the business model of radiology within a hospital or health system context is shifting from a primary profit-center to a cost-center with a goal of cost savings. Radiology departments need to increasingly understand how the transactional nature of the business relates to financial rewards. The main challenge with current reporting systems is that the information is presented only at an aggregated level, and often not broken down further, for instance, by type of exam. As such, the primary objective of this research is to provide better visibility into payments associated with individual radiology procedures in order to better calibrate expense/capital structure of the imaging enterprise to the actual revenue or value-add to the organization it belongs to. We propose a methodology that can be used to determine technical payments at a procedure level. We use a proportion based model to allocate payments to individual radiology procedures based on total charges (which also includes non-radiology related charges). Using a production dataset containing 424,250 radiology exams we calculated the overall average technical charge for Radiology to be $873.08 per procedure and the corresponding average payment to be $326.43 (range: $48.27 for XR and $2750.11 for PET/CT) resulting in an average payment percentage of 37.39% across all exams. We describe how charges associated with a procedure can be used to approximate technical payments at a more granular level with a focus on Radiology. The methodology is generalizable to approximate payment for other services as well. Understanding payments associated with each procedure can be useful during strategic practice planning. Charge-to-total charge ratio can be used to approximate radiology payments at a procedure level. Copyright © 2017 Elsevier B.V. All rights reserved.

7 CFR 1786.27 - Definitions and rules of construction.

Code of Federal Regulations, 2014 CFR

2014-01-01

... the RE Act for an FFB loan made on or before July 2, 1986. Fees means any fees, costs or charges... either (1) in default or near default on interest or principal payments due on loans made or guaranteed...) The dollar weighted average interest rate (stated as an annual percentage rate) on a loan; (3) The...

Extreme Markup: The Fifty US Hospitals With The Highest Charge-To-Cost Ratios.

PubMed

Bai, Ge; Anderson, Gerard F

2015-06-01

Using Medicare cost reports, we examined the fifty US hospitals with the highest charge-to-cost ratios in 2012. These hospitals have markups (ratios of charges over Medicare-allowable costs) approximately ten times their Medicare-allowable costs compared to a national average of 3.4 and a mode of 2.4. Analysis of the fifty hospitals showed that forty-nine are for profit (98 percent), forty-six are owned by for-profit hospital systems (92 percent), and twenty (40 percent) operate in Florida. One for-profit hospital system owns half of these fifty hospitals. While most public and private health insurers do not use hospital charges to set their payment rates, uninsured patients are commonly asked to pay the full charges, and out-of-network patients and casualty and workers' compensation insurers are often expected to pay a large portion of the full charges. Because it is difficult for patients to compare prices, market forces fail to constrain hospital charges. Federal and state governments may want to consider limitations on the charge-to-cost ratio, some form of all-payer rate setting, or mandated price disclosure to regulate hospital markups. Project HOPE—The People-to-People Health Foundation, Inc.

Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities.

PubMed

Duarte, Leonardo J; Richter, Wagner E; Silva, Arnaldo F; Bruns, Roy E

2017-10-26

Fundamental infrared vibrational transition intensities of gas-phase molecules are sensitive probes of changes in electronic structure accompanying small molecular distortions. Models containing charge, charge transfer, and dipolar polarization effects are necessary for a successful classification of the C-H, C-F, and C-Cl stretching and bending intensities. C-H stretching and in-plane bending vibrations involving sp 3 carbon atoms have small equilibrium charge contributions and are accurately modeled by the charge transfer-counterpolarization contribution and its interaction with equilibrium charge movement. Large C-F and C═O stretching intensities have dominant equilibrium charge movement contributions compared to their charge transfer-dipolar polarization ones and are accurately estimated by equilibrium charge and the interaction contribution. The C-F and C-Cl bending modes have charge and charge transfer-dipolar polarization contribution sums that are of similar size but opposite sign to their interaction values resulting in small intensities. Experimental in-plane C-H bends have small average intensities of 12.6 ± 10.4 km mol -1 owing to negligible charge contributions and charge transfer-counterpolarization cancellations, whereas their average out-of-plane experimental intensities are much larger, 65.7 ± 20.0 km mol -1 , as charge transfer is zero and only dipolar polarization takes place. The C-F bending intensities have large charge contributions but very small intensities. Their average experimental out-of-plane intensity of 9.9 ± 12.6 km mol -1 arises from the cancellation of large charge contributions by dipolar polarization contributions. The experimental average in-plane C-F bending intensity, 5.8 ± 7.3 km mol -1 , is also small owing to charge and charge transfer-counterpolarization sums being canceled by their interaction contributions. Models containing only atomic charges and their fluxes are incapable of describing electronic structure changes for simple molecular distortions that are of interest in classifying infrared intensities. One can expect dipolar polarization effects to also be important for larger distortions of chemical interest.

Interfacial charge separation and recombination in InP and quasi-type II InP/CdS core/shell quantum dot-molecular acceptor complexes.

PubMed

Wu, Kaifeng; Song, Nianhui; Liu, Zheng; Zhu, Haiming; Rodríguez-Córdoba, William; Lian, Tianquan

2013-08-15

Recent studies of group II-VI colloidal semiconductor heterostuctures, such as CdSe/CdS core/shell quantum dots (QDs) or dot-in-rod nanorods, show that type II and quasi-type II band alignment can facilitate electron transfer and slow down charge recombination in QD-molecular electron acceptor complexes. To explore the general applicability of this wave function engineering approach for controlling charge transfer properties, we investigate exciton relaxation and dissociation dynamics in InP (a group III-V semiconductor) and InP/CdS core/shell (a heterostructure beween group III-V and II-VI semiconductors) QDs by transient absorption spectroscopy. We show that InP/CdS QDs exhibit a quasi-type II band alignment with the 1S electron delocalized throughout the core and shell and the 1S hole confined in the InP core. In InP-methylviologen (MV(2+)) complexes, excitons in the QD can be dissociated by ultrafast electron transfer to MV(2+) from the 1S electron level (with an average time constant of 11.4 ps) as well as 1P and higher electron levels (with a time constant of 0.39 ps), which is followed by charge recombination to regenerate the complex in its ground state (with an average time constant of 47.1 ns). In comparison, InP/CdS-MV(2+) complexes show similar ultrafast charge separation and 5-fold slower charge recombination rates, consistent with the quasi-type II band alignment in these heterostructures. This result demonstrates that wave function engineering in nanoheterostructures of group III-V and II-VI semiconductors provides a promising approach for optimizing their light harvesting and charge separation for solar energy conversion applications.

Expansion of a multicomponent current-carrying plasma jet into vacuum

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

Krasov, V. I.; Paperny, V. L., E-mail: paperny@math.isu.runnet.ru

An expression for the ion−ion coupling in a multicomponent plasma jet is derived for an arbitrary ratio between the thermal and relative velocities of the components. The obtained expression is used to solve the problem on the expansion of a current-carrying plasma microjet emitted from the cathode surface into vacuum. Two types of plasmas with two ion components are analyzed: (i) plasma in which the ion components of equal masses are in the charge states Z{sub 1}= +1 and Z{sub 2}= +2 and (ii) plasma with ions in equal charge states but with the mass ratio m{sub 1}/m{sub 2} =more » 2. It is shown that, for such plasmas, the difference between the velocities of the plasma components remains substantial (about 10% of the average jet velocity in case (i) and 15% in case (ii)) at distances of several centimeters from the emission center, where it can be measured experimentally, provided that its initial value at the emitting cathode surface exceeds a certain threshold. This effect is investigated as a function of the mass ratio and charge states of the ion components.« less

Micro-hybrid electric vehicle application of valve-regulated lead-acid batteries in absorbent glass mat technology: Testing a partial-state-of-charge operation strategy

NASA Astrophysics Data System (ADS)

Schaeck, S.; Stoermer, A. O.; Hockgeiger, E.

The BMW Group has launched two micro-hybrid functions in high volume models in order to contribute to reduction of fuel consumption in modern passenger cars. Both the brake energy regeneration (BER) and the auto-start-stop function (ASSF) are based on the conventional 14 V vehicle electrical system and current series components with only little modifications. An intelligent control algorithm of the alternator enables recuperative charging in braking and coasting phases, known as BER. By switching off the internal combustion engine at a vehicle standstill the idling fuel consumption is effectively reduced by ASSF. By reason of economy and package a lead-acid battery is used as electrochemical energy storage device. The BMW Group assembles valve-regulated lead-acid (VRLA) batteries in absorbent glass mat (AGM) technology in the micro-hybrid electrical power system since special challenges arise for the batteries. By field data analysis a lower average state-of-charge (SOC) due to partial state-of-charge (PSOC) operation and a higher cycling rate due to BER and ASSF are confirmed in this article. Similar to a design of experiment (DOE) like method we present a long-term lab investigation. Two types of 90 Ah VRLA AGM batteries are operated with a test bench profile that simulates the micro-hybrid vehicle electrical system under varying conditions. The main attention of this lab testing is focused on capacity loss and charge acceptance over cycle life. These effects are put into context with periodically refresh charging the batteries in order to prevent accelerated battery aging due to hard sulfation. We demonstrate the positive effect of refresh chargings concerning preservation of battery charge acceptance. Furthermore, we observe moderate capacity loss over 90 full cycles both at 25 °C and at 3 °C battery temperature.

Comparative Assessment of Models and Methods To Calculate Grid Electricity Emissions.

PubMed

Ryan, Nicole A; Johnson, Jeremiah X; Keoleian, Gregory A

2016-09-06

Due to the complexity of power systems, tracking emissions attributable to a specific electrical load is a daunting challenge but essential for many environmental impact studies. Currently, no consensus exists on appropriate methods for quantifying emissions from particular electricity loads. This paper reviews a wide range of the existing methods, detailing their functionality, tractability, and appropriate use. We identified and reviewed 32 methods and models and classified them into two distinct categories: empirical data and relationship models and power system optimization models. To illustrate the impact of method selection, we calculate the CO2 combustion emissions factors associated with electric-vehicle charging using 10 methods at nine charging station locations around the United States. Across the methods, we found an up to 68% difference from the mean CO2 emissions factor for a given charging site among both marginal and average emissions factors and up to a 63% difference from the average across average emissions factors. Our results underscore the importance of method selection and the need for a consensus on approaches appropriate for particular loads and research questions being addressed in order to achieve results that are more consistent across studies and allow for soundly supported policy decisions. The paper addresses this issue by offering a set of recommendations for determining an appropriate model type on the basis of the load characteristics and study objectives.

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.

Variations in Patterns of Utilization and Charges for the Care of Headache in North Carolina, 2000-2009: A Statewide Claims' Data Analysis.

PubMed

Hurwitz, Eric L; Vassilaki, Maria; Li, Dongmei; Schneider, Michael J; Stevans, Joel M; Phillips, Reed B; Phelan, Shawn P; Lewis, Eugene A; Armstrong, Richard C

2016-05-01

The purpose of the study was to compare patterns of utilization and charges generated by medical doctors (MDs), doctors of chiropractic (DCs), and physical therapists (PTs) for the treatment of headache in North Carolina. Retrospective analysis of claims data from the North Carolina State Health Plan for Teachers and State Employees from 2000 to 2009. Data were extracted from Blue Cross Blue Shield of North Carolina for the North Carolina State Health Plan using International Classification of Diseases, Ninth Revision, diagnostic codes for headache. The claims were separated by individual provider type, combination of provider types, and referral patterns. The majority of patients and claims were in the MD-only or MD plus referral patterns. Chiropractic patterns represented less than 10% of patients. Care patterns with single-provider types and no referrals incurred the least charges on average for headache. When care did not include referral providers or services, MD with DC care was generally less expensive than MD care with PT. However, when combined with referral care, MD care with PT was generally less expensive. Compared with MD-only care, risk-adjusted charges (available 2006-2009) for patients in the middle risk quintile were significantly less for DC-only care. Utilization and expenditures for headache treatment increased from 2000 to 2009 across all provider groups. MD care represented the majority of total allowed charges in this study. MD care and DC care, alone or in combination, were overall the least expensive patterns of headache care. Risk-adjusted charges were significantly less for DC-only care. Copyright © 2016 National University of Health Sciences. Published by Elsevier Inc. All rights reserved.

Photoelectron Spectroscopy of Doubly and Singly Charged Group VIB Dimetalate Anions: M2O72-, MM'072-, and M207- (M, M'=Cr, Mo, W)

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

Zhai, Hua Jin; Huang, Xin; Waters, Tom

2005-11-24

We produced both doubly and singly charged Group VIB dimetalate species-M2O7 2-, MM'O72-, and M2O7 - (M, M'=) Cr, Mo, W)susing two different experimental techniques (electrospray ionization for the doubly charged anions and laser vaporization for the singly charged anions) and investigated their electronic and geometric structures using photoelectron spectroscopy and density functional calculations. Distinct changes in the electronic and geometric structures were observed as a function of the metal and charge state. The electron binding energies of the heteronuclear dianions MM'O7 2- were observed to be roughly the average of those of their homonuclear counterparts (M2O7 2- and M'2O7more » 2-). Density functional calculations indicated that W2O7 2-, W2O7-, and W2O7 possess different ground-state structures: the dianion is highly symmetric (D3d,1A1g) with a single bridging oxo ligand, the monoanion is a doublet (C1, 2A) with two bridging oxo ligands and a radical terminal oxo ligand, whereas the neutral is a singlet (C1, 1A) with two bridging oxo ligands and a terminal peroxo ligand. The combined experimental and theoretical study provides insights into the evolution of geometric and electronic structures as a function of charge state. The clusters identified might provide insights into the possible structures of reactive species present in early transition-metal oxide catalysts that are relevant to their reactivity and catalytic function.« less

Are chargemaster rates for imaging studies lower in States that cap noneconomic damages (tort reform)?

PubMed

Stein, Seth I; Barry, Jeffrey R; Jha, Saurabh

2014-08-01

To determine whether chargemaster (a list of prices for common services and procedures set by individual hospitals) rates for diagnostic imaging were lower in states that cap awards for noneconomic damages (NED) than states with unlimited awards for medical negligence. We analyzed 2011 chargemaster data from the Centers for Medicare & Medicaid, pertaining to 6 ambulatory patient classifications specific to imaging. The dataset includes outpatient imaging facilities and hospitals in 49 states and the District of Columbia. The association between caps on NED and chargemaster rates for imaging in a sample of 15,218 data points was analyzed using linear regression and two-sample t tests assuming unequal variances. In states that cap NED, the chargemaster rates were higher for the following modalities: Level II Echocardiogram without Contrast (mean charges: $2,015.60 versus $1,884.81, P = .0018); Level II Cardiac Imaging ($4,670.25 versus $4,398.58, P = .002); MRI & Magnetic Resonance Angiography without Contrast ($2,654.31 versus $2,526.74, P = .002); and Level III Diagnostic and Screening Ultrasound ($1,073.31 versus $1,027.32, P = .037). High charge-to-payment ratios were associated with states with the highest charges. There was a positive correlation between number of outpatient centers in the state and the average chargemaster rates for the state (mean chargemaster rate = 1727 + 0.79*Number of Outpatient Centers; R-squared = 0.23, P = .0004). Chargemaster rates for select imaging services are not lower in states that have capped NED. Copyright © 2014 American College of Radiology. Published by Elsevier Inc. All rights reserved.

Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

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

Liu, Ji -Cai; Berrah, Nora; Cederbaum, Lorenz S.

Here, we study theoretically the quantum dynamics of nitrogen molecules (N2) exposed to intense and ultrafast x-rays at a wavelength ofmore » $$1.1\\;{\\rm{nm}}$$ ($$1100\\;{\\rm{eV}}$$ photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular rate equations are derived to describe the intertwined photoionization, decay, and dissociation processes occurring for N2. This model complements our earlier phenomenological approaches, the single-atom, symmetric-sharing, and fragmentation-matrix models of 2012 (J. Chem. Phys. 136 214310). Our rate-equations are used to obtain the effective pulse energy at the sample and the time scale for the dissociation of the metastable dication $${{\\rm{N}}}_{2}^{2+}$$. This leads to a very good agreement between the theoretically and experimentally determined ion yields and, consequently, the average charge states. The effective pulse energy is found to decrease with shortening pulse duration. This variation together with a change in the molecular fragmentation pattern and frustrated absorption—an effect that reduces absorption of x-rays due to (double) core hole formation—are the causes for the drop of the average charge state with shortening LCLS pulse duration discovered previously.« less

Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

DOE PAGES

Liu, Ji -Cai; Berrah, Nora; Cederbaum, Lorenz S.; ...

2016-03-16

Here, we study theoretically the quantum dynamics of nitrogen molecules (N2) exposed to intense and ultrafast x-rays at a wavelength ofmore » $$1.1\\;{\\rm{nm}}$$ ($$1100\\;{\\rm{eV}}$$ photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular rate equations are derived to describe the intertwined photoionization, decay, and dissociation processes occurring for N2. This model complements our earlier phenomenological approaches, the single-atom, symmetric-sharing, and fragmentation-matrix models of 2012 (J. Chem. Phys. 136 214310). Our rate-equations are used to obtain the effective pulse energy at the sample and the time scale for the dissociation of the metastable dication $${{\\rm{N}}}_{2}^{2+}$$. This leads to a very good agreement between the theoretically and experimentally determined ion yields and, consequently, the average charge states. The effective pulse energy is found to decrease with shortening pulse duration. This variation together with a change in the molecular fragmentation pattern and frustrated absorption—an effect that reduces absorption of x-rays due to (double) core hole formation—are the causes for the drop of the average charge state with shortening LCLS pulse duration discovered previously.« less

Influence of electromagnetic field on soliton-mediated charge transport in biological systems.

PubMed

Brizhik, Larissa

2015-01-01

It is shown that electromagnetic fields affect dynamics of Davydov's solitons which provide charge transport processes in macromolecules during metabolism of the system. There is a resonant frequency of the field at which it can cause the transition of electrons from bound soliton states into delocalised states. Such decay of solitons reduces the effectiveness of charge transport, and, therefore, inhibits redox processes. Solitons radiate their own electromagnetic field of characteristic frequency determined by their average velocity. This self-radiated field leads to synchronization of soliton dynamics and charge transport processes, and is the source of the coherence in the system. Exposition of the system to the oscillating electromagnetic field of the frequency, which coincides with the eigen-frequency of solitons can enhance eigen-radiation of solitons, and, therefore, will enhance synchronization of charge transpor, stimulate the redox processes and increase coherence in the system. Electromagnetic oscillating field causes also ratchet phenomenon of solitons, i.e., drift of solitons in macromolecules in the presence of unbiased periodic field. Such additional drift enhances the charge transport processes. It is shown that temperature facilitates the ratchet drift. In particular, temperature fluctuations lead to the lowering of the critical value of the intensity and period of the field, above which the drift of solitons takes place. Moreover, there is a stochastic resonance in the soliton dynamics in external electromagnetic fields. This means, that there is some optimal temperature at which the drift of solitons is maximal.

Supercharging Protein Complexes from Aqueous Solution Disrupts their Native Conformations

NASA Astrophysics Data System (ADS)

Sterling, Harry J.; Kintzer, Alexander F.; Feld, Geoffrey K.; Cassou, Catherine A.; Krantz, Bryan A.; Williams, Evan R.

2012-02-01

The effects of aqueous solution supercharging on the solution- and gas-phase structures of two protein complexes were investigated using traveling-wave ion mobility-mass spectrometry (TWIMS-MS). Low initial concentrations of m-nitrobenzyl alcohol ( m-NBA) in the electrospray ionization (ESI) solution can effectively increase the charge of concanavalin A dimers and tetramers, but at higher m-NBA concentrations, the increases in charge are accompanied by solution-phase dissociation of the dimers and up to a ~22% increase in the collision cross section (CCS) of the tetramers. With just 0.8% m-NBA added to the ESI solution of a ~630 kDa anthrax toxin octamer complex, the average charge is increased by only ~4% compared with the "native" complex, but it is sufficiently destabilized so that extensive gas-phase fragmentation occurs in the relatively high pressure regions of the TWIMS device. Anthrax toxin complexes exist in either a prechannel or a transmembrane channel state. With m-NBA, the prechannel state of the complex has the same CCS/charge ratio in the gas phase as the transmembrane channel state of the same complex formed without m-NBA, yet undergoes extensive dissociation, indicating that destabilization from supercharging occurs in the ESI droplet prior to ion formation and is not a result of Coulombic destabilization in the gas phase as a result of higher charging. These results demonstrate that the supercharging of large protein complexes is the result of conformational changes induced by the reagents in the ESI droplets, where enrichment of the supercharging reagent during droplet evaporation occurs.

Flavin Charge Transfer Transitions Assist DNA Photolyase Electron Transfer

NASA Astrophysics Data System (ADS)

Skourtis, Spiros S.; Prytkova, Tatiana; Beratan, David N.

2007-12-01

This contribution describes molecular dynamics, semi-empirical and ab-initio studies of the primary photo-induced electron transfer reaction in DNA photolyase. DNA photolyases are FADH--containing proteins that repair UV-damaged DNA by photo-induced electron transfer. A DNA photolyase recognizes and binds to cyclobutatne pyrimidine dimer lesions of DNA. The protein repairs a bound lesion by transferring an electron to the lesion from FADH-, upon photo-excitation of FADH- with 350-450 nm light. We compute the lowest singlet excited states of FADH- in DNA photolyase using INDO/S configuration interaction, time-dependent density-functional, and time-dependent Hartree-Fock methods. The calculations identify the lowest singlet excited state of FADH- that is populated after photo-excitation and that acts as the electron donor. For this donor state we compute conformationally-averaged tunneling matrix elements to empty electron-acceptor states of a thymine dimer bound to photolyase. The conformational averaging involves different FADH--thymine dimer confromations obtained from molecular dynamics simulations of the solvated protein with a thymine dimer docked in its active site. The tunneling matrix element computations use INDO/S-level Green's function, energy splitting, and Generalized Mulliken-Hush methods. These calculations indicate that photo-excitation of FADH- causes a π→π* charge-transfer transition that shifts electron density to the side of the flavin isoalloxazine ring that is adjacent to the docked thymine dimer. This shift in electron density enhances the FADH--to-dimer electronic coupling, thus inducing rapid electron transfer.

Diagnostics of Particles emitted from a Laser generated Plasma: Experimental Data and Simulations

NASA Astrophysics Data System (ADS)

Costa, Giuseppe; Torrisi, Lorenzo

2018-01-01

The charge particle emission form laser-generated plasma was studied experimentally and theoretically using the COMSOL simulation code. The particle acceleration was investigated using two lasers at two different regimes. A Nd:YAG laser, with 3 ns pulse duration and 1010 W/cm2 intensity, when focused on solid target produces a non-equilibrium plasma with average temperature of about 30-50 eV. An Iodine laser with 300 ps pulse duration and 1016 W/cm2 intensity produces plasmas with average temperatures of the order of tens keV. In both cases charge separation occurs and ions and electrons are accelerated at energies of the order of 200 eV and 1 MeV per charge state in the two cases, respectively. The simulation program permits to plot the charge particle trajectories from plasma source in vacuum indicating how they can be deflected by magnetic and electrical fields. The simulation code can be employed to realize suitable permanent magnets and solenoids to deflect ions toward a secondary target or detectors, to focalize ions and electrons, to realize electron traps able to provide significant ion acceleration and to realize efficient spectrometers. In particular it was applied to the study two Thomson parabola spectrometers able to detect ions at low and at high laser intensities. The comparisons between measurements and simulation is presented and discussed.

Factors Affecting Differences in Medicare Reimbursements for Physicians' Services

PubMed Central

Gornick, Marian; Newton, Marilyn; Hackerman, Carl

1980-01-01

Under Medicare's Part B program, wide variations are found in average reimbursements for physicians' services by demographic and geographic characteristics of the beneficiaries. Average reimbursements per beneficiary enrolled In the program depend upon the percentage of enrolled persons who exceed the deductible and receive reimbursements, the average allowed charge per service, and the number of services used. This study analyzes differences in average reimbursements per beneficiary for physicians' services In 1975 and discusses allowed charges and use factors that affect average reimbursements. Differences in the level of allowed charges and their impact on meeting the annual deductible are also discussed. The study indicates that average reimbursements per beneficiary are likely to continue to vary significantly year after year under the present Part B cost-sharing and reimbursement mechanisms. PMID:10309221

Thermoelectric properties of the unfilled skutterudite FeSb 3 from first principles and Seebeck local probes

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

Lemal, Sébastien; Nguyen, Ngoc; de Boor, Johannes

2015-11-16

In this paper, using a combination of first-principles calculations and experimental transport measurements, we study the electronic and magnetic structure of the unfilled skutterudite FeSb 3. We employ the hybrid functional approach for exchange correlation. The ground state is determined to be antiferromagnetic with an atomic magnetic moment of 1.6μ B/Fe. The Néel temperature T N is estimated at 6 K, in agreement with experiments which found a paramagnetic state down to 10 K. The ground state is semiconducting, with a small electronic gap of 33meV, also consistent with previous experiments on films. Charge carrier concentrations are estimated from Hallmore » resistance measurements. The Seebeck coefficient is measured and mapped using a scanning probe at room temperature that yields an average value of 38.6μVK -1, slightly lower than the theoretical result. Finally, the theoretical conductivity is analyzed as a function of temperature and concentration of charge carriers.« less

Towards zero-threshold optical gain using charged semiconductor quantum dots

DOE PAGES

Wu, Kaifeng; Park, Young -Shin; Lim, Jaehoon; ...

2017-10-16

Colloidal semiconductor quantum dots are attractive materials for the realization of solution-processable lasers. However, their applications as optical-gain media are complicated by a non-unity degeneracy of band-edge states, because of which multiexcitons are required to achieve the lasing regime. This increases the lasing thresholds and leads to very short optical gain lifetimes limited by nonradiative Auger recombination. Here, we show that these problems can be at least partially resolved by employing not neutral but negatively charged quantum dots. By applying photodoping to specially engineered quantum dots with impeded Auger decay, we demonstrate a considerable reduction of the optical gain thresholdmore » due to suppression of ground-state absorption by pre-existing carriers. Moreover, by injecting approximately one electron per dot on average, we achieve a more than twofold reduction in the amplified spontaneous emission threshold, bringing it to the sub-single-exciton level. Furthermore, these measurements indicate the feasibility of ‘zero-threshold’ gain achievable by completely blocking the band-edge state with two electrons.« less

Vibrational inelastic and charge transfer processes in H++H2 system: An ab initio study

NASA Astrophysics Data System (ADS)

Amaran, Saieswari; Kumar, Sanjay

2007-12-01

State-resolved differential cross sections, total and integral cross sections, average vibrational energy transfer, and the relative probabilities are computed for the H++H2 system using the newly obtained ab initio potential energy surfaces at the full CI/cc-pVQZ level of accuracy which allow for both the direct vibrational inelastic and the charge transfer processes. The quantum dynamics is treated within the vibrational close-coupling infinite-order-sudden approximation approach using the two ab initio quasidiabatic potential energy surfaces. The computed collision attributes for both the processes are compared with the available state-to-state scattering experiments at Ec.m.=20eV. The results are in overall good agreement with most of the observed scattering features such as rainbow positions, integral cross sections, and relative vibrational energy transfers. A comparison with the earlier theoretical study carried out on the semiempirical surfaces (diatomics in molecules) is also made to illustrate the reliability of the potential energy surfaces used in the present work.

Towards zero-threshold optical gain using charged semiconductor quantum dots

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

Wu, Kaifeng; Park, Young -Shin; Lim, Jaehoon

Colloidal semiconductor quantum dots are attractive materials for the realization of solution-processable lasers. However, their applications as optical-gain media are complicated by a non-unity degeneracy of band-edge states, because of which multiexcitons are required to achieve the lasing regime. This increases the lasing thresholds and leads to very short optical gain lifetimes limited by nonradiative Auger recombination. Here, we show that these problems can be at least partially resolved by employing not neutral but negatively charged quantum dots. By applying photodoping to specially engineered quantum dots with impeded Auger decay, we demonstrate a considerable reduction of the optical gain thresholdmore » due to suppression of ground-state absorption by pre-existing carriers. Moreover, by injecting approximately one electron per dot on average, we achieve a more than twofold reduction in the amplified spontaneous emission threshold, bringing it to the sub-single-exciton level. Furthermore, these measurements indicate the feasibility of ‘zero-threshold’ gain achievable by completely blocking the band-edge state with two electrons.« less

Interplay between hopping and band transport in high-mobility disordered semiconductors at large carrier concentrations: The case of the amorphous oxide InGaZnO

NASA Astrophysics Data System (ADS)

Fishchuk, I. I.; Kadashchuk, A.; Bhoolokam, A.; de Jamblinne de Meux, A.; Pourtois, G.; Gavrilyuk, M. M.; Köhler, A.; Bässler, H.; Heremans, P.; Genoe, J.

2016-05-01

We suggest an analytic theory based on the effective medium approximation (EMA) which is able to describe charge-carrier transport in a disordered semiconductor with a significant degree of degeneration realized at high carrier concentrations, especially relevant in some thin-film transistors (TFTs), when the Fermi level is very close to the conduction-band edge. The EMA model is based on special averaging of the Fermi-Dirac carrier distributions using a suitably normalized cumulative density-of-state distribution that includes both delocalized states and the localized states. The principal advantage of the present model is its ability to describe universally effective drift and Hall mobility in heterogeneous materials as a function of disorder, temperature, and carrier concentration within the same theoretical formalism. It also bridges a gap between hopping and bandlike transport in an energetically heterogeneous system. The key assumption of the model is that the charge carriers move through delocalized states and that, in addition to the tail of the localized states, the disorder can give rise to spatial energy variation of the transport-band edge being described by a Gaussian distribution. It can explain a puzzling observation of activated and carrier-concentration-dependent Hall mobility in a disordered system featuring an ideal Hall effect. The present model has been successfully applied to describe experimental results on the charge transport measured in an amorphous oxide semiconductor, In-Ga-Zn-O (a-IGZO). In particular, the model reproduces well both the conventional Meyer-Neldel (MN) compensation behavior for the charge-carrier mobility and inverse-MN effect for the conductivity observed in the same a-IGZO TFT. The model was further supported by ab initio calculations revealing that the amorphization of IGZO gives rise to variation of the conduction-band edge rather than to the creation of localized states. The obtained changes agree with the one we used to describe the charge transport. We found that the band-edge variation dominates the charge transport in high-quality a-IGZO TFTs in the above-threshold voltage region, whereas the localized states need not to be invoked to account for the experimental results in this material.

Basophile: Accurate Fragment Charge State Prediction Improves Peptide Identification Rates

DOE PAGES

Wang, Dong; Dasari, Surendra; Chambers, Matthew C.; ...

2013-03-07

In shotgun proteomics, database search algorithms rely on fragmentation models to predict fragment ions that should be observed for a given peptide sequence. The most widely used strategy (Naive model) is oversimplified, cleaving all peptide bonds with equal probability to produce fragments of all charges below that of the precursor ion. More accurate models, based on fragmentation simulation, are too computationally intensive for on-the-fly use in database search algorithms. We have created an ordinal-regression-based model called Basophile that takes fragment size and basic residue distribution into account when determining the charge retention during CID/higher-energy collision induced dissociation (HCD) of chargedmore » peptides. This model improves the accuracy of predictions by reducing the number of unnecessary fragments that are routinely predicted for highly-charged precursors. Basophile increased the identification rates by 26% (on average) over the Naive model, when analyzing triply-charged precursors from ion trap data. Basophile achieves simplicity and speed by solving the prediction problem with an ordinal regression equation, which can be incorporated into any database search software for shotgun proteomic identification.« less

Charging of nanoparticles in stationary plasma in a gas aggregation cluster source

NASA Astrophysics Data System (ADS)

Blažek, J.; Kousal, J.; Biederman, H.; Kylián, O.; Hanuš, J.; Slavínská, D.

2015-10-01

Clusters that grow into nanoparticles near the magnetron target of the gas aggregation cluster source (GAS) may acquire electric charge by collecting electrons and ions or through other mechanisms like secondary- or photo-electron emissions. The region of the GAS close to magnetron may be considered as stationary plasma. The steady state charge distribution on nanoparticles can be determined by means of three possible models—fluid model, kinetic model and model employing Monte Carlo simulations—of cluster charging. In the paper the mathematical and numerical aspects of these models are analyzed in detail and close links between them are clarified. Among others it is shown that Monte Carlo simulation may be considered as a particular numerical technique of solving kinetic equations. Similarly the equations of the fluid model result, after some approximation, from averaged kinetic equations. A new algorithm solving an in principle unlimited set of kinetic equations is suggested. Its efficiency is verified on physical models based on experimental input data.

Spectrally resolved single-molecule electrometry

NASA Astrophysics Data System (ADS)

Ruggeri, F.; Krishnan, M.

2018-03-01

Escape-time electrometry is a recently developed experimental technique that offers the ability to measure the effective electrical charge of a single biomolecule in solution with sub-elementary charge precision. The approach relies on measuring the average escape-time of a single charged macromolecule or molecular species transiently confined in an electrostatic fluidic trap. Comparing the experiments with the predictions of a mean-field model of molecular electrostatics, we have found that the measured effective charge even reports on molecular conformation, e.g., folded or disordered state, and non-uniform charge distribution in disordered proteins or polyelectrolytes. Here we demonstrate the ability to use the spectral dimension to distinguish minute differences in electrical charge between individual molecules or molecular species in a single simultaneous measurement, under identical experimental conditions. Using one spectral channel for referenced measurement, this kind of photophysical distinguishability essentially eliminates the need for accurate knowledge of key experimental parameters, otherwise obtained through intensive characterization of the experimental setup. As examples, we demonstrate the ability to detect small differences (˜5%) in the length of double-stranded DNA fragments as well as single amino acid exchange in an intrinsically disordered protein, prothymosin α.

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

Recombination-enhanced surface expansion of clusters in intense soft x-ray laser pulses

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

Rupp, Daniela; Flückiger, Leonie; Adolph, Marcus

Here, we studied the nanoplasma formation and explosion dynamics of single large xenon clusters in ultrashort, intense x-ray free-electron laser pulses via ion spectroscopy. The simultaneous measurement of single-shot diffraction images enabled a single-cluster analysis that is free from any averaging over the cluster size and laser intensity distributions. The measured charge state-resolved ion energy spectra show narrow distributions with peak positions that scale linearly with final ion charge state. These two distinct signatures are attributed to highly efficient recombination that eventually leads to the dominant formation of neutral atoms in the cluster. The measured mean ion energies exceed themore » value expected without recombination by more than an order of magnitude, indicating that the energy release resulting from electron-ion recombination constitutes a previously unnoticed nanoplasma heating process. This conclusion is supported by results from semiclassical molecular dynamics simulations.« less

Recombination-enhanced surface expansion of clusters in intense soft x-ray laser pulses

DOE PAGES

Rupp, Daniela; Flückiger, Leonie; Adolph, Marcus; ...

2016-10-07

Here, we studied the nanoplasma formation and explosion dynamics of single large xenon clusters in ultrashort, intense x-ray free-electron laser pulses via ion spectroscopy. The simultaneous measurement of single-shot diffraction images enabled a single-cluster analysis that is free from any averaging over the cluster size and laser intensity distributions. The measured charge state-resolved ion energy spectra show narrow distributions with peak positions that scale linearly with final ion charge state. These two distinct signatures are attributed to highly efficient recombination that eventually leads to the dominant formation of neutral atoms in the cluster. The measured mean ion energies exceed themore » value expected without recombination by more than an order of magnitude, indicating that the energy release resulting from electron-ion recombination constitutes a previously unnoticed nanoplasma heating process. This conclusion is supported by results from semiclassical molecular dynamics simulations.« less

Economic Analysis of Different Electric Vehicle Charging Scenarios

NASA Astrophysics Data System (ADS)

Ying, Li; Haiming, Zhou; Xiufan, Ma; Hao, Wang

2017-05-01

Influence of electric vehicles (EV) to grid cannot be ignored. Research on the economy analysis of different charging scenarios is helpful to guide the user to charge or discharge orderly. EV charging models are built such as disordered charging, valley charging, intelligent charging, and V2G (Vehicle to Grid), by which changes of charging load in different scenarios can be seen to analyze the influence to initial load curve, and comparison can be done about user’s average cost. Monte Carlo method is used to simulate the electric vehicle charging behavior, cost in different charging scenarios are compared, social cost is introduced in V2G scene, and the relationship between user’s average cost and social cost is analyzed. By test, it is proved that user’s cost is the lowest in V2G scenario, and the larger the scale of vehicles is, the more the social cost can save.

Anomalous 125Te Nuclear Spin Relaxation Coincident with Charge Kondo Behavior in Superconducting Pb1-xTlxTe

NASA Astrophysics Data System (ADS)

Mukuda, Hidekazu; Matsumura, Takashi; Maki, Shota; Yashima, Mitsuharu; Kitaoka, Yoshio; Miyake, Kazumasa; Murakami, Hironaru; Giraldo-Gallo, Paula; Geball, Theodore H.; Fisher, Ian R.

2018-02-01

We report the results of a 125Te NMR study of single crystalline Pb1-xTlxTe (x = 0, 0.35, 1.0%) as a window on the novel electronic states associated with the thallium impurities in PbTe. The Knight shift is enhanced as x increases, corresponding to an increase in the average density of states (DOS) coupled to a strong spatial variation in the local DOS surrounding each Tl dopant. Remarkably, for the superconducting composition (x = 1.0%), the 125Te nuclear spin relaxation rate (1/T1T) for Te ions that are close to the Tl dopants is unexpectedly enhanced in the normal state below a characteristic temperature of ˜10 K, below which the resistivity experiences an upturn. Such a simultaneous upturn in both the resistivity and (1/T1T) was not suppressed in the high magnetic field. We suggest that these observations are consistently accounted for by dynamical charge fluctuations in the absence of paramagnetism, which is anticipated by the charge Kondo scenario associated with the Tl dopants. In contrast, such anomalies were not detected in the non-superconducting samples (x = 0 and 0.35%), suggesting a connection between dynamical valence fluctuations and the occurrence of superconductivity in Pb1-xTlxTe.

Radiation and matter: Electrodynamics postulates and Lorenz gauge

NASA Astrophysics Data System (ADS)

Bobrov, V. B.; Trigger, S. A.; van Heijst, G. J.; Schram, P. P.

2016-11-01

In general terms, we have considered matter as the system of charged particles and quantized electromagnetic field. For consistent description of the thermodynamic properties of matter, especially in an extreme state, the problem of quantization of the longitudinal and scalar potentials should be solved. In this connection, we pay attention that the traditional postulates of electrodynamics, which claim that only electric and magnetic fields are observable, is resolved by denial of the statement about validity of the Maxwell equations for microscopic fields. The Maxwell equations, as the generalization of experimental data, are valid only for averaged values. We show that microscopic electrodynamics may be based on postulation of the d'Alembert equations for four-vector of the electromagnetic field potential. The Lorenz gauge is valid for the averages potentials (and provides the implementation of the Maxwell equations for averages). The suggested concept overcomes difficulties under the electromagnetic field quantization procedure being in accordance with the results of quantum electrodynamics. As a result, longitudinal and scalar photons become real rather than virtual and may be observed in principle. The longitudinal and scalar photons provide not only the Coulomb interaction of charged particles, but also allow the electrical Aharonov-Bohm effect.

Energy transduction and signal averaging of fluctuating electric fields by a single protein ion channel.

PubMed

Verdia-Baguena, C; Gomez, V; Cervera, J; Ramirez, P; Mafe, S

2016-12-21

We demonstrate the electrical rectification and signal averaging of fluctuating signals using a biological nanostructure in aqueous solution: a single protein ion channel inserted in the lipid bilayer characteristic of cell membranes. The conversion of oscillating, zero time-average potentials into directional currents permits charging of a load capacitor to significant steady-state voltages within a few minutes in the case of the outer membrane porin F (OmpF) protein, a bacterial channel of Escherichia coli. The experiments and simulations show signal averaging effects at a more fundamental level than the traditional cell and tissue scales, which are characterized by ensembles of many ion channels operating simultaneously. The results also suggest signal transduction schemes with bio-electronic interfaces and ionic circuits where soft matter nanodiodes can be coupled to conventional electronic elements.

Density of states and magnetotransport in Weyl semimetals with long-range disorder

NASA Astrophysics Data System (ADS)

Pesin, D. A.; Mishchenko, E. G.; Levchenko, A.

2015-11-01

We study the density of states and magnetotransport properties of disordered Weyl semimetals, focusing on the case of a strong long-range disorder. To calculate the disorder-averaged density of states close to nodal points, we treat exactly the long-range random potential fluctuations produced by charged impurities, while the short-range component of disorder potential is included systematically and controllably with the help of a diagram technique. We find that, for energies close to the degeneracy point, long-range potential fluctuations lead to a finite density of states. In the context of transport, we discuss that a self-consistent theory of screening in magnetic field may conceivably lead to nonmonotonic low-field magnetoresistance.

Continuous-Time Monitoring of Landau-Zener Interference in a Cooper-Pair Box

NASA Astrophysics Data System (ADS)

Sillanpää, Mika; Lehtinen, Teijo; Paila, Antti; Makhlin, Yuriy; Hakonen, Pertti

2006-05-01

Landau-Zener (LZ) tunneling can occur with a certain probability when crossing energy levels of a quantum two-level system are swept across the minimum energy separation. Here we present experimental evidence of quantum interference effects in solid-state LZ tunneling. We used a Cooper-pair box qubit where the LZ tunneling occurs at the charge degeneracy. By employing a weak nondemolition monitoring, we observe interference between consecutive LZ-tunneling events; we find that the average level occupancies depend on the dynamical phase. The system’s unusually strong linear response is explained by interband relaxation. Our interferometer can be used as a high-resolution Mach-Zehnder type detector for phase and charge.

Continuous-time monitoring of Landau-Zener interference in a cooper-pair box.

PubMed

Sillanpää, Mika; Lehtinen, Teijo; Paila, Antti; Makhlin, Yuriy; Hakonen, Pertti

2006-05-12

Landau-Zener (LZ) tunneling can occur with a certain probability when crossing energy levels of a quantum two-level system are swept across the minimum energy separation. Here we present experimental evidence of quantum interference effects in solid-state LZ tunneling. We used a Cooper-pair box qubit where the LZ tunneling occurs at the charge degeneracy. By employing a weak nondemolition monitoring, we observe interference between consecutive LZ-tunneling events; we find that the average level occupancies depend on the dynamical phase. The system's unusually strong linear response is explained by interband relaxation. Our interferometer can be used as a high-resolution Mach-Zehnder-type detector for phase and charge.

Discrete and continuum modeling of solvent effects in a twisted intramolecular charge transfer system: The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule.

PubMed

Modesto-Costa, Lucas; Borges, Itamar

2018-08-05

The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule is a prototypical system displaying twisted intramolecular (TICT) charge transfer effects. The ground and the first four electronic excited states (S 1 -S 4 ) in gas phase and upon solvation were studied. Charge transfer values as function of the torsion angle between the donor group (dimethylamine) and the acceptor moiety (benzonitrile) were explicitly computed. Potential energy curves were also obtained. The algebraic diagrammatic construction method at the second-order [ADC(2)] ab initio wave function was employed. Three solvents of increased polarities (benzene, DMSO and water) were investigated using discrete (average solvent electrostatic configuration - ASEC) and continuum (conductor-like screening model - COSMO) models. The results for the S 3 and S 4 excited states and the S 1 -S 4 charge transfer curves were not previously available in the literature. Electronic gas phase and solvent vertical spectra are in good agreement with previous theoretical and experimental results. In the twisted (90°) geometry the optical oscillator strengths have negligible values even for the S 2 bright state. Potential energy curves show two distinct pairs of curves intersecting at decreasing angles or not crossing in the more polar solvents. Charge transfer and electric dipole values allowed the rationalization of these results. The former effects are mostly independent of the solvent model and polarity. Although COSMO and ASEC solvent models mostly lead to similar results, there is an important difference: some crossings of the excitation energy curves appear only in the ASEC solvation model, which has important implications to the photochemistry of DMABN. Copyright © 2018 Elsevier B.V. All rights reserved.

Article processing charges for open access publication—the situation for research intensive universities in the USA and Canada

PubMed Central

Björk, Bo-Christer

2016-01-01

Background. Open access (OA) publishing via article processing charges (APCs) is growing as an alternative to subscription publishing. The Pay It Forward (PIF) Project is exploring the feasibility of transitioning from paying subscriptions to funding APCs for faculty at research intensive universities. Estimating of the cost of APCs for the journals authors at research intensive universities tend to publish is essential for the PIF project and similar initiatives. This paper presents our research into this question. Methods. We identified APC prices for publications by authors at the 4 research intensive United States (US) and Canadian universities involved in the study. We also obtained APC payment records from several Western European universities and funding agencies. Both data sets were merged with Web of Science (WoS) metadata. We calculated the average APCs for articles and proceedings in 13 discipline categories published by researchers at research intensive universities. We also identified 41 journals published by traditionally subscription publishers which have recently converted to APC funded OA and recorded the APCs they charge. Results. We identified 7,629 payment records from the 4 European APC payment databases and 14,356 OA articles authored by PIF partner university faculty for which we had listed APC prices. APCs for full OA journals published by PIF authors averaged 1,775 USD; full OA journal APCs paid by Western European funders averaged 1,865 USD; hybrid APCs paid by Western European funders averaged 2,887 USD. The APC for converted journals published by major subscription publishers averaged 1,825 USD. APC funded OA is concentrated in the life and basic sciences. APCs funded articles in the social sciences and humanities are often multidisciplinary and published in journals such as PLOS ONE that largely publish in the life sciences. Conclusions. Full OA journal APCs average a little under 2,000 USD while hybrid articles average about 3,000 USD for publications by researchers at research intensive universities. There is a lack of information on discipline differences in APCs due to the concentration of APC funded publications in a few fields and the multidisciplinary nature of research. PMID:27547569

Factors determining the average atomic volumes in intermetallic compounds.

PubMed

Pauling, L

1987-07-01

In formation of an intermetallic compound from the elementary metals there is usually a contraction in volume. Electron transfer leading to the charge states M(+) and M(-) with increase in valence and decrease in volume explains the more than 2-fold range in contraction for different compounds in the same binary system. In a more thorough analysis, the better packing of atoms of different sizes also needs to be considered.

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

PubMed

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

2001-09-01

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

Multiple exciton dissociation in CdSe quantum dots by ultrafast electron transfer to adsorbed methylene blue.

PubMed

Huang, Jier; Huang, Zhuangqun; Yang, Ye; Zhu, Haiming; Lian, Tianquan

2010-04-07

Multiexciton generation in quantum dots (QDs) may provide a new approach for improving the solar-to-electric power conversion efficiency in QD-based solar cells. However, it remains unclear how to extract these excitons before the ultrafast exciton-exciton annihilation process. In this study we investigate multiexciton dissociation dynamics in CdSe QDs adsorbed with methylene blue (MB(+)) molecules by transient absorption spectroscopy. We show that excitons in QDs dissociate by ultrafast electron transfer to MB(+) with an average time constant of approximately 2 ps. The charge separated state is long-lived (>1 ns), and the charge recombination rate increases with the number of dissociated excitons. Up to three MB(+) molecules per QD can be reduced by exciton dissociation. Our result demonstrates that ultrafast interfacial charge separation can effectively compete with exciton-exciton annihilation, providing a viable approach for utilizing short-lived multiple excitons in QDs.

Surface transport processes in charged porous media

DOE PAGES

Gabitto, Jorge; Tsouris, Costas

2017-03-03

Surface transport processes are important in chemistry, colloidal sciences, engineering, biology, and geophysics. Natural or externally produced charges on surfaces create electrical double layers (EDLs) at the solid-liquid interface. The existence of the EDLs produces several complex processes including bulk and surface transport of ions. In this work, a model is presented to simulate bulk and transport processes in homogeneous porous media comprising big pores. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A volume averaging technique is used to derive the averaged transport equations inmore » the limit of thin electrical double layers. Description of the EDL between the electrolyte solution and the charged wall is accomplished using the Gouy-Chapman-Stern (GCS) model. The surface transport terms enter into the average equations due to the use of boundary conditions for diffuse interfaces. Two extra surface transports terms appear in the closed average equations. One is a surface diffusion term equivalent to the transport process in non-charged porous media. The second surface transport term is a migration term unique to charged porous media. The effective bulk and transport parameters for isotropic porous media are calculated solving the corresponding closure problems.« less

Surface transport processes in charged porous media

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

Gabitto, Jorge; Tsouris, Costas

Surface transport processes are important in chemistry, colloidal sciences, engineering, biology, and geophysics. Natural or externally produced charges on surfaces create electrical double layers (EDLs) at the solid-liquid interface. The existence of the EDLs produces several complex processes including bulk and surface transport of ions. In this work, a model is presented to simulate bulk and transport processes in homogeneous porous media comprising big pores. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A volume averaging technique is used to derive the averaged transport equations inmore » the limit of thin electrical double layers. Description of the EDL between the electrolyte solution and the charged wall is accomplished using the Gouy-Chapman-Stern (GCS) model. The surface transport terms enter into the average equations due to the use of boundary conditions for diffuse interfaces. Two extra surface transports terms appear in the closed average equations. One is a surface diffusion term equivalent to the transport process in non-charged porous media. The second surface transport term is a migration term unique to charged porous media. The effective bulk and transport parameters for isotropic porous media are calculated solving the corresponding closure problems.« less

Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines

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

Olsen, Seth, E-mail: seth.olsen@uq.edu.au

2015-01-28

This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed (“microcanonical”) SA-CASSCF ensembles, self-consistency is invariant tomore » any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with “more diabatic than adiabatic” states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse “temperature,” unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence-bond (CASVB) analysis of the charge/bond resonance electronic structure of a monomethine cyanine: Michler’s hydrol blue. The diabatic CASVB representation is shown to vary weakly for “temperatures” corresponding to visible photon energies. Canonical-ensemble SA-CASSCF enables the resolution of energies and couplings for all covalent and ionic CASVB structures contributing to the SA-CASSCF ensemble. The CASVB solution describes resonance of charge- and bond-localized electronic structures interacting via bridge resonance superexchange. The resonance couplings can be separated into channels associated with either covalent charge delocalization or chemical bonding interactions, with the latter significantly stronger than the former.« less

Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: charge-bond resonance in monomethine cyanines.

PubMed

Olsen, Seth

2015-01-28

This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed ("microcanonical") SA-CASSCF ensembles, self-consistency is invariant to any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with "more diabatic than adiabatic" states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse "temperature," unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence-bond (CASVB) analysis of the charge/bond resonance electronic structure of a monomethine cyanine: Michler's hydrol blue. The diabatic CASVB representation is shown to vary weakly for "temperatures" corresponding to visible photon energies. Canonical-ensemble SA-CASSCF enables the resolution of energies and couplings for all covalent and ionic CASVB structures contributing to the SA-CASSCF ensemble. The CASVB solution describes resonance of charge- and bond-localized electronic structures interacting via bridge resonance superexchange. The resonance couplings can be separated into channels associated with either covalent charge delocalization or chemical bonding interactions, with the latter significantly stronger than the former.

Effect of positive pulse charge waveforms on the energy efficiency of lead-acid traction cells

NASA Technical Reports Server (NTRS)

Smithrick, J. J.

1981-01-01

The effects of four different charge methods on the energy conversion efficiency of 300 ampere hour lead acid traction cells were investigated. Three of the methods were positive pulse charge waveforms; the fourth, a constant current method, was used as a baseline of comparison. The positive pulse charge waveforms were: 120 Hz full wave rectified sinusoidal; 120 Hz silicon controlled rectified; and 1 kHz square wave. The constant current charger was set at the time average pulse current of each pulse waveform, which was 150 amps. The energy efficiency does not include charger losses. The lead acid traction cells were charged to 70 percent of rated ampere hour capacity in each case. The results of charging the cells using the three different pulse charge waveforms indicate there was no significant difference in energy conversion efficiency when compared to constant current charging at the time average pulse current value.

Valence charge fluctuations in YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ from core-level spectroscopies

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

Balzarotti, A.; De Crescenzi, M.; Motta, N.

1988-10-01

From x-ray photoemission and Auger measurements of the Cu 2p and O 1s core levels of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ as a function of the oxygen concentration delta, the average copper charge is determined. Evidence is found of dynamic charge fluctuations on the oxygen sublattice giving rise to a greater concentration of trivalent copper at the Cu(1) sites with respect to that determined by the analysis of neutron-diffraction data. On the basis of our experimental results, we introduce a molecular cluster description for the Cu states. The lowest final-states configurations of Cu/sup 2+/ and Cu/sup 3+/ are c3d/sup 10/Lmore » and c3d/sup 10/L/sup 2/, respectively, where c and L denote core holes on copper and oxygen atoms. Oxygen holes have high mobility and a Hubbard correlation energy less than 2 eV, a signature of their delocalization. The effect of temperature on the spectra is minor. Surface degradation modifies the relative intensity of the structures, particularly those of the O spectrum.« less

Pediatric retropharyngeal abscesses: a national perspective.

PubMed

Lander, Lina; Lu, Sam; Shah, Rahul K

2008-12-01

To determine the resource utilization and national variation in the management of pediatric retropharyngeal abscesses. The Kids' Inpatient Database (KID) 2003 was analyzed. International Classification of Diseases, Ninth Revision code 478.24 was the inclusion criteria. One thousand three hundred and twenty-one admissions with retropharyngeal abscess were sampled from the KID in 2003; there were no deaths. The mean age of patients was 5.1 years (S.D. 4.4 years); 63% were male. Of all admissions, 563 (43%) patients underwent surgical drainage of their infection; surgical patients had longer length of stays and total charges than patients managed medically. The average state spending per admission varied from $5126 (Utah) to $27,776 (California). There was seasonal variation in admissions with the highest percentage of admissions occurring in March (10.7%) and lowest in August (3.8%). Indicators of increased resource utilization included age (older patients), increased length of stay, non-elective admission, discharge quarter, and number of other diagnoses on record. There is a statistically significant decrease in the length of stay and total charges in patients admitted in the Midwest compared to other regions of the country. This study demonstrates national demographics and normative data on a commonly treated pediatric disease process, retropharyngeal space infections. The average demographic of such a patient is a 5-year-old male from an urban location admitted in a non-elective fashion via the emergency department. The mean total charges were $16,377; 90% of admissions had total charges less than $28,511. Patients who underwent surgical procedures had mean total charges of $22,013. There exists significant national variation in resource utilization for this commonly treated disease process.

Water requirements of the petroleum refining industry

USGS Publications Warehouse

Otts, Louis Ethelbert

1964-01-01

About 3,500 million gallons of water was withdrawn daily in 1955 for use by petroleum refineries in the United States. This was about 3 percent of the estimated daily withdrawal of industrial water in the United States in 1955. An average of 468 gallons of water was required to refine a barrel of crude oil, and the median was 95 gallons of water per barrel of crude charge; withdrawals ranged from 6.5 to 3,240 gallons per barrel. Ninety-one percent of the water requirements of the petroleum refineries surveyed was for cooling. One-third of the refineries reused their cooling water from 10 to more than 50 times. Only 17 refineries used once-through cooling systems. Refineries with recirculating cooling systems circulated about twice as much cooling water but needed about 25 times less makeup; however, they consumed about 24 times more water per barrel of charge than refineries using once-through cooling systems. The average noncracking refinery used about 375 gallons of water per barrel of crude, which is less than the 471-gallon average of refineries with cracking facilities. Refineries are composed of various processing units, and the water requirements of such units varied ; median makeup needs ranged from about 125 gallons per barrel for polymerization and alkylation units to 15.5 gallons per barrel for distillation units. Refinery-owned sources of water supplied 95 percent of the makeup-water requirements. Surface-water sources provided 86 percent of the makeup-water demand. Less than 1 percent of the makeup water was obtained from reprocessed municipal sewage.

Factors determining the average atomic volumes in intermetallic compounds

PubMed Central

Pauling, Linus

1987-01-01

In formation of an intermetallic compound from the elementary metals there is usually a contraction in volume. Electron transfer leading to the charge states M+ and M- with increase in valence and decrease in volume explains the more than 2-fold range in contraction for different compounds in the same binary system. In a more thorough analysis, the better packing of atoms of different sizes also needs to be considered. PMID:16578809

Charge carrier dynamics in organic semiconductors and their donor-acceptor composites: Numerical modeling of time-resolved photocurrent

NASA Astrophysics Data System (ADS)

Johnson, Brian; Kendrick, Mark J.; Ostroverkhova, Oksana

2013-09-01

We present a model that describes nanosecond (ns) time-scale photocurrent dynamics in functionalized anthradithiophene (ADT) films and ADT-based donor-acceptor (D/A) composites. By fitting numerically simulated photocurrents to experimental data, we quantify contributions of multiple pathways of charge carrier photogeneration to the photocurrent, as well as extract parameters that characterize charge transport (CT) in organic films including charge carrier mobilities, trap densities, hole trap depth, and trapping and recombination rates. In pristine ADT films, simulations revealed two competing charge photogeneration pathways: fast, occurring on picosecond (ps) or sub-ps time scales with efficiencies below 10%, and slow, which proceeds at the time scale of tens of nanoseconds, with efficiencies of about 11%-12%, at the applied electric fields of 40-80 kV/cm. The relative contribution of these pathways to the photocurrent was electric field dependent, with the contribution of the fast process increasing with applied electric field. However, the total charge photogeneration efficiency was weakly electric field dependent exhibiting values of 14%-20% of the absorbed photons. The remaining 80%-86% of the photoexcitation did not contribute to charge carrier generation at these time scales. In ADT-based D/A composites with 2 wt.% acceptor concentration, an additional pathway of charge photogeneration that proceeds via CT exciton dissociation contributed to the total charge photogeneration. In the composite with the functionalized pentacene (Pn) acceptor, which exhibits strong exciplex emission from a tightly bound D/A CT exciton, the contribution of the CT state to charge generation was small, ˜8%-12% of the total number of photogenerated charge carriers, dependent on the electric field. In contrast, in the composite with PCBM acceptor, the CT state contributed about a half of all photogenerated charge carriers. In both D/A composites, the charge carrier mobilities were reduced and trap densities and average trap depths were increased, as compared to a pristine ADT donor film. A considerably slower recombination of free holes with trapped electrons was found in the composite with the PCBM acceptor, which led to slower decays of the transient photocurrent and considerably higher charge retention, as compared to a pristine ADT donor film and the composite with the functionalized Pn acceptor.

Mutation-Induced Changes in the Protein Environment and Site Energies in the (M)L214G Mutant of the Rhodobacter sphaeroides Bacterial Reaction Center.

PubMed

Jankowiak, Ryszard; Rancova, Olga; Chen, Jinhai; Kell, Adam; Saer, Rafael G; Beatty, J Thomas; Abramavicius, Darius

2016-08-18

This work focuses on the low-temperature (5 K) photochemical (transient) hole-burned (HB) spectra within the P870 absorption band, and their theoretical analysis, for the (M)L214G mutant of the photosynthetic Rhodobacter sphaeroides bacterial reaction center (bRC). To provide insight into system-bath interactions of the bacteriochlorophyll a (BChl a) special pair, i.e., P870, in the mutated bRC, the optical line shape function for the P870 band is calculated numerically. On the basis of the modeling studies, we demonstrate that (M)L214G mutation leads to a heterogeneous population of bRCs with modified (increased) total electron-phonon coupling strength of the special pair BChl a and larger inhomogeneous broadening. Specifically, we show that after mutation in the (M)L214G bRC a large fraction (∼50%) of the bacteriopheophytin (HA) chromophores shifts red and the 800 nm absorption band broadens, while the remaining fraction of HA cofactors retains nearly the same site energy as HA in the wild-type bRC. Modeling using these two subpopulations allowed for fits of the absorption and nonresonant (transient) HB spectra of the mutant bRC in the charge neutral, oxidized, and charge-separated states using the Frenkel exciton Hamiltonian, providing new insight into the mutant's complex electronic structure. Although the average (M)L214G mutant quantum efficiency of P(+)QA(-) state formation seems to be altered in comparison with the wild-type bRC, the average electron transfer time (measured via resonant transient HB spectra within the P870 band) was not affected. Thus, mutation in the vicinity of the electron acceptor (HA) does not tune the charge separation dynamics. Finally, quenching of the (M)L214G mutant excited states by P(+) is addressed by persistent HB spectra burned within the B band in chemically oxidized samples.

Apparent Ionic Charge in Electrolyte and Polyelectrolyte Solutions

ERIC Educational Resources Information Center

Magdelenat, H.; And Others

1978-01-01

Compares average displacements of charged particles under thermal motion alone with those obtained by the action of an external electric field to develop a concept of "apparent charge" to approximate actual structural charge in an electrolyte solution. (SL)

Trends in Outcomes and Hospitalization Charges of Infant Botulism in the United States: A Comparative Analysis Between Kids' Inpatient Database and National Inpatient Sample.

PubMed

Opila, Tamara; George, Asha; El-Ghanem, Mohammad; Souayah, Nizar

2017-02-01

New therapeutic strategies, including immune globulin intravenous, have emerged in the past two decades for the management of botulism. However, impact on outcomes and hospitalization charges among infants (aged ≤1 year) with botulism in the United States is unknown. We analyzed the Kids' Inpatient Database (KID) and National Inpatient Sample (NIS) for in-hospital outcomes and charges for infant botulism cases from 1997 to 2009. Demographics, discharge status, mortality, length of stay, and hospitalization charges were reported from the two databases and compared. Between 1997 and 2009, 504 infant hospitalizations were captured in KID', and 340 hospitalizations from NIS, for comparable years. A significant decrease was observed in mean length of stay for 'KID (P < 0.01); a similar decrease was observed for the NIS. The majority of patients were discharged to home. Despite an initial decrease after 1997, an increasing trend was observed for 'KID/NIS mean hospital charges from 2000 to 2009 (from $57,659/$56,309 to $143,171/$106,378; P < 0.001/P < 0.001). A linear increasing trend was evident when examining mean daily hospitalization charges for both databases. In conducting a subgroup analysis of the 'KID database, the youngest patients with infantile botulism (≤1.9 months) displayed the highest average number of procedures during their hospitalization (P < .001) and the highest rate of mechanical ventilation (P < .001), compared with their older counterparts. Infant botulism cases have demonstrated a significant increase in hospitalization charges over the years despite reduced length of stay. Additionally, there were significantly higher daily adjusted hospital charges and an increased rate of routine discharges for immune globulin intravenous-treated patients. More controlled studies are needed to define the criteria for cost-effective use of intravenous immune globulin in the population with infant botulism. Copyright © 2016 Elsevier Inc. All rights reserved.

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

PubMed

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

2011-12-28

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

Obesity is associated with increased health care charges in patients undergoing outpatient plastic surgery.

PubMed

Sieffert, Michelle R; Fox, Justin P; Abbott, Lindsay E; Johnson, R Michael

2015-05-01

Obesity is associated with greater rates of surgical complications. To address these complications after outpatient plastic surgery, obese patients may seek care in the emergency department and potentially require admission to the hospital, which could result in greater health care charges. The purpose of this study was to determine the relationship of obesity, postdischarge hospital-based acute care, and hospital charges within 30 days of outpatient plastic surgery. From state ambulatory surgery center databases in four states, all discharges for adult patients who underwent liposuction, abdominoplasty, breast reduction, and blepharoplasty were identified. Patients were grouped by the presence or absence of obesity. Multivariable regression models were used to compare the frequency of hospital-based acute care, serious adverse events, and hospital charges within 30 days between groups while controlling for confounding variables. The final sample included 47,741 discharges, with 2052 of these discharges (4.3 percent) being obese. Obese patients more frequently had a hospital-based acute care encounter [7.3 percent versus 3.9 percent; adjusted OR, 1.35 (95% CI,1.13 to 1.61)] or serious adverse event [3.2 percent versus 0.9 percent; adjusted OR, 1.73 (95% CI, 1.30 to 2.29)] within 30 days of surgery. Obese patients had adjusted hospital charges that were, on average, $3917, $7412, and $7059 greater (p < 0.01) than those of nonobese patients after liposuction, abdominoplasty, and breast reduction, respectively. Obese patients who undergo common outpatient plastic surgery procedures incur substantially greater health care charges, in part attributable to more frequent adverse events and hospital-based health care within 30 days of surgery. Risk, II.

The abundances of hydrogen, helium, oxygen, and iron accelerated in large solar particle events

NASA Technical Reports Server (NTRS)

Mazur, J. E.; Mason, G. M.; Klecker, B.; Mcguire, R. E.

1993-01-01

Energy spectra measured in 10 large flares with the University of Maryland/Max-Planck-Institut sensors on ISEE I and Goddard Space Flight Center sensors on IMP 8 allowed us to determine the average H, He, O, and Fe abundances as functions of energy in the range of about 0.3-80 MeV/nucleon. Model fits to the spectra of individual events using the predictions of a steady state stochastic acceleration model with rigidity-dependent diffusion provided a means of interpolating small portions of the energy spectra not measured with the instrumentation. Particles with larger mass-to-charge ratios were relatively less abundant at higher energies in the flare-averaged composition. The Fe/O enhancement at low SEP energies was less than the Fe/O ratios observed in He-3-rich flares. Unlike the SEP composition averaged above 5 MeV/nucleon, the average SEP abundances above 0.3 MeV/nucleon were similar to the average solar wind.

Multiplicities of charged hadrons in 280 GeV/c muon-proton scattering

NASA Astrophysics Data System (ADS)

Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Becks, K. H.; 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.; Callebaut, D.; 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.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Giubellino, P.; Grafström, P.; Grard, F.; Hass, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Hoppe, C.; Jaffré, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Kesteman, J.; Korbel, V.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Manz, A.; 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.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Schröder, T.; Schouten, M.; Schultze, K.; Sholz, M.; Sloan, T.; Stier, H. E.; Stockhausen, W.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; De La Torre, A.; Toth, J.; Urban, L.; Urban, L.; Wahlen, H.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.; European Muon Collaboration

Properties of the hadron multiplicity distributions in 280 GeV/ c μ +p interactions have been investigated. The c.m. energy dependence in the range from 4 to 20 GeV of the total charged multiplicities are presented. No variation faster than logarithmic is seen in the energy range of this experiment. Comparison with νp and overlineνp data at lower energy has been made and shows good agreement between μ +p and overlineνp total charged multiplicities. It has been found that the average forward multiplicity (charged hadrons with xF > 0) exceeds the average backward multiplicity (charged hadrons with xF < 0) in the whole energy range and presents a different energy variation. The average forward multiplicity has been compared to e +e - data and shows a similar dependence on energy. Little correlation was observed between the forward and backward multiplicities indicating that the current and target regions fragment almost independently.

Investigation of the W and Q 2 dependence of charged pion distributions in μ p scattering

NASA Astrophysics Data System (ADS)

Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; 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.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Giubellino, P.; Grafström, P.; Grard, F.; Haas, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Hoppe, C.; Jaffré, M.; Jacholkowska, A.; Janata, F.; Jancso, 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.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Scholz, M.; Schröder, T.; Schouten, M.; 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.

1986-03-01

The W and Q 2 dependence of the fragmentation functions and of the average multiplicity of charged pions is investigated, using data from the NA9 experiment at the CERN SPS on muon-proton scattering at 280 GeV. A significant increase of pion production with increasing W is observed at fixed Q 2, leading to a rise of the average charged pion multiplicity, linear in ln W 2, and of the pion fragmentation function in the central region, i.e. at small | x F |. This increase can be understood from the kinematic widening of the cms rapidity range proportional to ln W 2 and the observed W independent height of the rapidity distribution. At fixed W, a rise of the average charged pion multiplicity with Q 2 is observed. This rise appears to be weaker than that observed for all charged hadrons implying a stronger rise with Q 2 for kaons and protons.

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.

Instantaneous charge state of uranium projectiles in fully ionized plasmas from energy loss experiments

NASA Astrophysics Data System (ADS)

Morales, Roberto; Barriga-Carrasco, Manuel D.; Casas, David

2017-04-01

The instantaneous charge state of uranium ions traveling through a fully ionized hydrogen plasma has been theoretically studied and compared with one of the first energy loss experiments in plasmas, carried out at GSI-Darmstadt by Hoffmann et al. in the 1990s. For this purpose, two different methods to estimate the instantaneous charge state of the projectile have been employed: (1) rate equations using ionization and recombination cross sections and (2) equilibrium charge state formulas for plasmas. Also, the equilibrium charge state has been obtained using these ionization and recombination cross sections and compared with the former equilibrium formulas. The equilibrium charge state of projectiles in plasmas is not always reached, and it depends mainly on the projectile velocity and the plasma density. Therefore, a non-equilibrium or an instantaneous description of the projectile charge is necessary. The charge state of projectile ions cannot be measured, except after exiting the target, and experimental data remain very scarce. Thus, the validity of our charge state model is checked by comparing the theoretical predictions with an energy loss experiment, as the energy loss has a generally quadratic dependence on the projectile charge state. The dielectric formalism has been used to calculate the plasma stopping power including the Brandt-Kitagawa (BK) model to describe the charge distribution of the projectile. In this charge distribution, the instantaneous number of bound electrons instead of the equilibrium number has been taken into account. Comparing our theoretical predictions with experiments, it is shown the necessity of including the instantaneous charge state and the BK charge distribution for a correct energy loss estimation. The results also show that the initial charge state has a strong influence in order to estimate the energy loss of the uranium ions.

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.

Long life nickel electrodes for a nickel-hydrogen cell. I Initial performance

NASA Technical Reports Server (NTRS)

Lim, H. S.; Verzwyvelt, S. A.; Blaser, C.; Keener, K. M.

1983-01-01

In order to develop a long life nickel electrode for a Ni/H2 cell, an investigation was begun to study the effects of sinter structure and active material loading level on the long life performance of nickel electrodes. This paper is a report on the initial performance of these electrodes as a part of an accelerated life test program. Seven different types of nickel plaques were made which included three levels of both their mechanical strength and median pore size. These plaques were impregnated with three levels of active material loading. The resultant electrodes were tested by a 200-cycle stress test which was conducted in flooded electrolyte, and also for initial performance in a Ni/H2 boiler plate cell. An interesting and unexpected observation was that an increased initial utilization of the active material was due more to its complete discharge to the lower average oxidation state than its increased charge acceptance in the charged state.

47 CFR 69.153 - Presubscribed interexchange carrier charge (PICC).

Code of Federal Regulations, 2010 CFR

2010-10-01

... CARRIER SERVICES (CONTINUED) ACCESS CHARGES Computation of Charges for Price Cap Local Exchange Carriers... to recover revenues totaling Average Price Cap CMT Revenues per Line month times the number of base...

A physics-based fractional order model and state of energy estimation for lithium ion batteries. Part II: Parameter identification and state of energy estimation for LiFePO4 battery

NASA Astrophysics Data System (ADS)

Li, Xiaoyu; Pan, Ke; Fan, Guodong; Lu, Rengui; Zhu, Chunbo; Rizzoni, Giorgio; Canova, Marcello

2017-11-01

State of energy (SOE) is an important index for the electrochemical energy storage system in electric vehicles. In this paper, a robust state of energy estimation method in combination with a physical model parameter identification method is proposed to achieve accurate battery state estimation at different operating conditions and different aging stages. A physics-based fractional order model with variable solid-state diffusivity (FOM-VSSD) is used to characterize the dynamic performance of a LiFePO4/graphite battery. In order to update the model parameter automatically at different aging stages, a multi-step model parameter identification method based on the lexicographic optimization is especially designed for the electric vehicle operating conditions. As the battery available energy changes with different applied load current profiles, the relationship between the remaining energy loss and the state of charge, the average current as well as the average squared current is modeled. The SOE with different operating conditions and different aging stages are estimated based on an adaptive fractional order extended Kalman filter (AFEKF). Validation results show that the overall SOE estimation error is within ±5%. The proposed method is suitable for the electric vehicle online applications.

40 CFR 60.2675 - What operating limits must I meet and by when?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 110 percent of the average charge rate measured during the most recent performance test demonstrating... of the daily charge rate measured during the most recent performance test demonstrating compliance... calculated as 90 percent of the average pressure drop across the wet scrubber measured during the most recent...

40 CFR 60.2675 - What operating limits must I meet and by when?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 110 percent of the average charge rate measured during the most recent performance test demonstrating... of the daily charge rate measured during the most recent performance test demonstrating compliance... calculated as 90 percent of the average pressure drop across the wet scrubber measured during the most recent...

Data inconsistencies from states with unconventional oil and gas activity.

PubMed

Malone, Samantha; Kelso, Matthew; Auch, Ted; Edelstein, Karen; Ferrar, Kyle; Jalbert, Kirk

2015-01-01

The quality and availability of unconventional oil and gas (O&G) data in the United States have never been compared methodically state-to-state. By conducting such an assessment, this study seeks to better understand private and publicly sourced data variability and to identify data availability gaps. We developed an exploratory data-grading tool - Data Accessibility and Usability Index (DAUI) - to guide the review of O&G data quality. Between July and October 2013, we requested, collected, and assessed 5 categories of unconventional O&G data (wells drilled, violations, production, waste, and Class II disposal wells) from 10 states with active drilling activity. We based our assessment on eight data quality parameters (accessibility, usability, point location, completeness, metadata, agency responsiveness, accuracy, and cost). Using the DAUI, two authors graded the 10 states and then averaged their scores. The average score received across all states, data categories, and parameters was 67.1 out of 100, largely insufficient for proper data transparency. By state, Pennsylvania received the highest average ( = 93.5) and ranked first in all but one data category. The lowest scoring state was Texas ( = 44) largely due to its policy of charging for certain data. This article discusses the various reasons for scores received, as well as methodological limitations of the assessment metrics. We argue that the significant variability of unconventional O&G data-and its availability to the public-is a barrier to regulatory and industry transparency. The lack of transparency also impacts public education and broader participation in industry governance. This study supports the need to develop a set of data best management practices (BMPs) for state regulatory agencies and the O&G industry, and suggests potential BMPs for this purpose.

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...

Electrostatic Interactions Influence Protein Adsorption (but Not Desorption) at the Silica-Aqueous Interface.

PubMed

McUmber, Aaron C; Randolph, Theodore W; Schwartz, Daniel K

2015-07-02

High-throughput single-molecule total internal reflection fluorescence microscopy was used to investigate the effects of pH and ionic strength on bovine serum albumin (BSA) adsorption, desorption, and interfacial diffusion at the aqueous-fused silica interface. At high pH and low ionic strength, negatively charged BSA adsorbed slowly to the negatively charged fused silica surface. At low pH and low ionic strength, where BSA was positively charged, or in solutions at higher ionic strength, adsorption was approximately 1000 times faster. Interestingly, neither surface residence times nor the interfacial diffusion coefficients of BSA were influenced by pH or ionic strength. These findings suggested that adsorption kinetics were dominated by energy barriers associated with electrostatic interactions, but once adsorbed, protein-surface interactions were dominated by short-range nonelectrostatic interactions. These results highlight the ability of single-molecule techniques to isolate elementary processes (e.g., adsorption and desorption) under steady-state conditions, which would be impossible to measure using ensemble-averaging methods.

On the Charge transport regime of crystalline organic semiconductors: diffusion limited by thermal off-diagonal electronic disorder

NASA Astrophysics Data System (ADS)

Troisi, Alessandro

2006-03-01

In organic crystalline semiconductor molecular components are held together by very weak interactions and the transfer integrals between neighboring molecular orbitals are extremely sensitive to small nuclear displacements. We used a mixed quantum chemical and molecular dynamic methodology to assess the effect of thermal structural fluctuations on the modulation of the transfer integrals between close molecules. We have found that the fluctuations of the transfer integrals are of the same order of magnitude of their average value for pentacene and anthracene. This condition makes the band description inadequate because a dynamic localization takes place and the translational symmetry is completely broken for the electronic states. We also present a simple one-dimensional semiclassical model that incorporates the effects of dynamical localization and allows the numerical computation of the charge mobility for ordered organic semiconductors. These results explain several contrasting experimental observations pointing sometimes to a delocalized ``band-like'' transport and sometimes to the existence of strongly localized charge carriers.

The practice of cranial neurosurgery and the malpractice liability environment in the United States.

PubMed

Bekelis, Kimon; Missios, Symeon; Wong, Kendrew; MacKenzie, Todd A

2015-01-01

The potential imbalance between malpractice liability cost and quality of care has been an issue of debate. We investigated the association of malpractice liability with unfavorable outcomes and increased hospitalization charges in cranial neurosurgery. We performed a retrospective cohort study involving patients who underwent cranial neurosurgical procedures from 2005-2010, and were registered in the National Inpatient Sample (NIS) database. We used data from the National Practitioner Data Bank (NPDB) from 2005 to 2010 to create measures of volume and size of malpractice claim payments. The association of the latter with the state-level mortality, length of stay (LOS), unfavorable discharge, and hospitalization charges for cranial neurosurgery was investigated. During the study period, there were 189,103 patients (mean age 46.4 years, with 48.3% females) who underwent cranial neurosurgical procedures, and were registered in NIS. In a multivariable regression, higher number of claims per physician in a state was associated with increased ln-transformed hospitalization charges (beta 0.18; 95% CI, 0.17 to 0.19). On the contrary, there was no association with mortality (OR 1.00; 95% CI, 0.94 to 1.06). We observed a small association with unfavorable discharge (OR 1.09; 95% CI, 1.06 to 1.13), and LOS (beta 0.01; 95% CI, 0.002 to 0.03). The size of the awarded claims demonstrated similar relationships. The average claims payment size (ln-transformed) (Pearson's rho=0.435, P=0.01) demonstrated a positive correlation with the risk-adjusted hospitalization charges but did not demonstrate a correlation with mortality, unfavorable discharge, or LOS. In the present national study, aggressive malpractice environment was not correlated with mortality but was associated with higher hospitalization charges after cranial neurosurgery. In view of the association of malpractice with the economics of healthcare, further research on its impact is necessary.

The Practice of Cranial Neurosurgery and the Malpractice Liability Environment in the United States

PubMed Central

Wong, Kendrew; MacKenzie, Todd A.

2015-01-01

Object The potential imbalance between malpractice liability cost and quality of care has been an issue of debate. We investigated the association of malpractice liability with unfavorable outcomes and increased hospitalization charges in cranial neurosurgery. Methods We performed a retrospective cohort study involving patients who underwent cranial neurosurgical procedures from 2005-2010, and were registered in the National Inpatient Sample (NIS) database. We used data from the National Practitioner Data Bank (NPDB) from 2005 to 2010 to create measures of volume and size of malpractice claim payments. The association of the latter with the state-level mortality, length of stay (LOS), unfavorable discharge, and hospitalization charges for cranial neurosurgery was investigated. Results During the study period, there were 189,103 patients (mean age 46.4 years, with 48.3% females) who underwent cranial neurosurgical procedures, and were registered in NIS. In a multivariable regression, higher number of claims per physician in a state was associated with increased ln-transformed hospitalization charges (beta 0.18; 95% CI, 0.17 to 0.19). On the contrary, there was no association with mortality (OR 1.00; 95% CI, 0.94 to 1.06). We observed a small association with unfavorable discharge (OR 1.09; 95% CI, 1.06 to 1.13), and LOS (beta 0.01; 95% CI, 0.002 to 0.03). The size of the awarded claims demonstrated similar relationships. The average claims payment size (ln-transformed) (Pearson’s rho=0.435, P=0.01) demonstrated a positive correlation with the risk-adjusted hospitalization charges but did not demonstrate a correlation with mortality, unfavorable discharge, or LOS. Conclusions In the present national study, aggressive malpractice environment was not correlated with mortality but was associated with higher hospitalization charges after cranial neurosurgery. In view of the association of malpractice with the economics of healthcare, further research on its impact is necessary. PMID:25798994

Electron-Transfer Ion/Ion Reactions of Doubly Protonated Peptides: Effect of Elevated Bath Gas Temperature

PubMed Central

Pitteri, Sharon J.; Chrisman, Paul A.; McLuckey, Scott A.

2005-01-01

In this study, the electron-transfer dissociation (ETD) behavior of cations derived from 27 different peptides (22 of which are tryptic peptides) has been studied in a 3D quadrupole ion trap mass spectrometer. Ion/ion reactions between peptide cations and nitrobenzene anions have been examined at both room temperature and in an elevated temperature bath gas environment to form ETD product ions. From the peptides studied, the ETD sequence coverage tends to be inversely related to peptide size. At room temperature, very high sequence coverage (~100%) was observed for small peptides (≤7 amino acids). For medium-sized peptides composed of 8–11 amino acids, the average sequence coverage was 46%. Larger peptides with 14 or more amino acids yielded an average sequence coverage of 23%. Elevated-temperature ETD provided increased sequence coverage over room-temperature experiments for the peptides of greater than 7 residues, giving an average of 67% for medium-sized peptides and 63% for larger peptides. Percent ETD, a measure of the extent of electron transfer, has also been calculated for the peptides and also shows an inverse relation with peptide size. Bath gas temperature does not have a consistent effect on percent ETD, however. For the tryptic peptides, fragmentation is localized at the ends of the peptides suggesting that the distribution of charge within the peptide may play an important role in determining fragmentation sites. A triply protonated peptide has also been studied and shows behavior similar to the doubly charged peptides. These preliminary results suggest that for a given charge state there is a maximum size for which high sequence coverage is obtained and that increasing the bath gas temperature can increase this maximum. PMID:16131079

W 2 and Q 2 dependence of charged hadron and pion multiplicities in vp andbar vp charged current interactionscharged current interactions

NASA Astrophysics Data System (ADS)

Jones, G. T.; Jones, R. W. L.; Morrison, D. R. O.; Mobayyen, M. M.; Wainstein, S.; Aderholz, M.; Hantke, D.; Hoffmann, E.; Katz, U. F.; Kern, J.; Schmitz, N.; Wittek, W.; Allport, P.; Borner, H. P.; Myatt, G.; Radojicic, D.; Bullock, F. W.; Burke, S.

1990-03-01

Using data on vp andbar vp charged current interactions from a bubble chamber experiment with BEBC at CERN, the average multiplicities of charged hadrons and pions are determined as functions of W 2 and Q 2. The analysis is based on ˜20000 events with incident v and ˜10000 events with incidentbar v. In addition to the known dependence of the average multiplicity on W 2 a weak dependence on Q 2 for fixed intervals of W is observed. For W>2 GeV and Q 2>0.1 GeV2 the average multiplicity of charged hadrons is well described by =a 1+ a 2ln( W 2/GeV2)+ a 3ln( Q 2/GeV2) with a 1=0.465±0.053, a 2=1.211±0.021, a 3=0.103±0.014 for the vp and a 1=-0.372±0.073, a 2=1.245±0.028, a 3=0.093±0.015 for thebar vp reaction.

Study of the production of charged pions, kaons, and protons in pPb collisions at $$\\sqrt{s_{NN}} =\\; $$ s N N = 5.02 $$\\,\\text {TeV}$$ TeV

DOE PAGES

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

2014-06-01

Spectra of identified charged hadrons are measured in pPb collisions with the CMS detector at the LHC at sqrt(sNN) = 5.02 TeV. Charged pions, kaons, and protons in the transverse-momentum range pt approximately 0.1-1.7 GeV and laboratory rapidity abs(y) < 1 are identified via their energy loss in the silicon tracker. The average pt increases with particle mass and the charged multiplicity of the event. The increase of the average pt with charged multiplicity is greater for heavier hadrons. Comparisons to Monte Carlo event generators reveal that EPOS LHC, which incorporates additional hydrodynamic evolution of the created system, is ablemore » to reproduce most of the data features, unlike HIJING and AMPT. The pt spectra and integrated yields are also compared to those measured in pp and PbPb collisions at various energies. The average transverse momentum and particle ratio measurements indicate that particle production at LHC energies is strongly correlated with event particle multiplicity.« less

Study of the production of charged pions, kaons, and protons in pPb collisions at [Formula: see text]5.02[Formula: see text].

PubMed

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Sunar Cerci, D; Tali, B; Topakli, H; Vergili, M; Akin, I V; Aliev, T; Bilin, B; Bilmis, S; Deniz, M; Gamsizkan, H; Guler, A M; Karapinar, G; Ocalan, K; Ozpineci, A; Serin, M; Sever, R; Surat, U E; Yalvac, M; Zeyrek, M; Gülmez, E; Isildak, B; Kaya, M; Kaya, O; Ozkorucuklu, S; Sonmez, N; Bahtiyar, H; Barlas, E; Cankocak, K; Günaydin, Y O; Vardarlı, F I; Yücel, M; Levchuk, L; Sorokin, P; Brooke, J J; Clement, E; Cussans, D; Flacher, H; Frazier, R; Goldstein, J; Grimes, M; Heath, G P; Heath, H F; Kreczko, L; Metson, S; Newbold, D M; Nirunpong, K; Poll, A; Senkin, S; Smith, V J; Williams, T; Belyaev, A; Brew, C; Brown, R M; Cockerill, D J A; Coughlan, J A; Harder, K; Harper, S; Olaiya, E; Petyt, D; Radburn-Smith, B C; Shepherd-Themistocleous, C H; Tomalin, I R; Womersley, W J; Bainbridge, R; Buchmuller, O; Burton, D; Colling, D; Cripps, N; Cutajar, M; Dauncey, P; Davies, G; Negra, M Della; Ferguson, W; Fulcher, J; Futyan, D; Gilbert, A; Bryer, A Guneratne; Hall, G; Hatherell, Z; Hays, J; Iles, G; Jarvis, M; Karapostoli, G; Kenzie, M; Lane, R; Lucas, R; Lyons, L; Magnan, A-M; Marrouche, J; Mathias, B; Nandi, R; Nash, J; Nikitenko, A; Pela, J; Pesaresi, M; Petridis, K; Pioppi, M; Raymond, D M; Rogerson, S; Rose, A; Seez, C; Sharp, P; Sparrow, A; Tapper, A; Vazquez Acosta, M; Virdee, T; Wakefield, S; Wardle, N; Whyntie, T; Chadwick, M; Cole, J E; Hobson, P R; Khan, A; Kyberd, P; Leggat, D; Leslie, D; Martin, W; Reid, I D; Symonds, P; Teodorescu, L; Turner, M; Dittmann, J; Hatakeyama, K; Kasmi, A; Liu, H; Scarborough, T; Charaf, O; Cooper, S I; Henderson, C; Rumerio, P; Avetisyan, A; Bose, T; Fantasia, C; Heister, A; Lawson, P; Lazic, D; Rohlf, J; Sperka, D; St John, J; Sulak, L; Alimena, J; Christopher, G; Cutts, D; Demiragli, Z; Ferapontov, A; Garabedian, A; Heintz, U; Jabeen, S; Kukartsev, G; Laird, E; Landsberg, G; Luk, M; Narain, M; Segala, M; Sinthuprasith, T; Speer, T; Breedon, R; Breto, G; De La Barca Sanchez, M Calderon; Chauhan, S; Chertok, M; Conway, J; Conway, R; Cox, P T; Erbacher, R; Gardner, M; Houtz, R; Ko, W; Kopecky, A; Lander, R; Miceli, T; Pellett, D; Ricci-Tam, F; Rutherford, B; Searle, M; Smith, J; Squires, M; Tripathi, M; Wilbur, S; Yohay, R; Andreev, V; Cline, D; Cousins, R; Erhan, S; Everaerts, P; Farrell, C; Felcini, M; Hauser, J; Ignatenko, M; Jarvis, C; Rakness, G; Schlein, P; Takasugi, E; Traczyk, P; Valuev, V; Babb, J; Clare, R; Ellison, J; Gary, J W; Hanson, G; Jandir, P; Liu, H; Long, O R; Luthra, A; Nguyen, H; Paramesvaran, S; Sturdy, J; Sumowidagdo, S; Wilken, R; Wimpenny, S; Andrews, W; Branson, J G; Cerati, G B; Cittolin, S; Evans, D; Holzner, A; Kelley, R; Lebourgeois, M; Letts, J; Macneill, I; Padhi, S; Palmer, C; Petrucciani, G; Pieri, M; Sani, M; Simon, S; Sudano, E; Tadel, M; Tu, Y; Vartak, A; Wasserbaech, S; Würthwein, F; Yagil, A; Yoo, J; Barge, D; Campagnari, C; D'Alfonso, M; Danielson, T; Flowers, K; Geffert, P; George, C; Golf, F; Incandela, J; Justus, C; Kalavase, P; Kovalskyi, D; Krutelyov, V; Lowette, S; Magaña Villalba, R; Mccoll, N; Pavlunin, V; Ribnik, J; Richman, J; Rossin, R; Stuart, D; To, W; West, C; Apresyan, A; Bornheim, A; Bunn, J; Chen, Y; Di Marco, E; Duarte, J; Kcira, D; Ma, Y; Mott, A; Newman, H B; Rogan, C; Spiropulu, M; Timciuc, V; Veverka, J; Wilkinson, R; Xie, S; Yang, Y; Zhu, R Y; Azzolini, V; Calamba, A; Carroll, R; Ferguson, T; Iiyama, Y; Jang, D W; Liu, Y F; Paulini, M; Russ, J; Vogel, H; Vorobiev, I; Cumalat, J P; Drell, B R; Ford, W T; Gaz, A; Lopez, E Luiggi; Nauenberg, U; Smith, J G; Stenson, K; Ulmer, K A; Wagner, S R; Alexander, J; Chatterjee, A; Eggert, N; Gibbons, L K; Hopkins, W; Khukhunaishvili, A; Kreis, B; Mirman, N; Kaufman, G Nicolas; Patterson, J R; Ryd, A; Salvati, E; Sun, W; Teo, W D; Thom, J; Thompson, J; Tucker, J; Weng, Y; Winstrom, L; Wittich, P; Winn, D; Abdullin, S; Albrow, M; Anderson, J; Apollinari, G; Bauerdick, L A T; Beretvas, A; Berryhill, J; Bhat, P C; Burkett, K; Butler, J N; Chetluru, V; Cheung, H W K; Chlebana, F; Cihangir, S; Elvira, V D; Fisk, I; Freeman, J; Gao, Y; Gottschalk, E; Gray, L; Green, D; Gutsche, O; Hare, D; Harris, R M; Hirschauer, J; Hooberman, B; Jindariani, S; Johnson, M; Joshi, U; Kaadze, K; Klima, B; Kunori, S; Kwan, S; Linacre, J; Lincoln, D; Lipton, R; Lykken, J; Maeshima, K; Marraffino, J M; Outschoorn, V I Martinez; Maruyama, S; Mason, D; McBride, P; Mishra, K; Mrenna, S; Musienko, Y; Newman-Holmes, C; O'Dell, V; Prokofyev, O; Ratnikova, N; Sexton-Kennedy, E; Sharma, S; Spalding, W J; Spiegel, L; Taylor, L; Tkaczyk, S; Tran, N V; Uplegger, L; Vaandering, E W; Vidal, R; Whitmore, J; Wu, W; Yang, F; Yun, J C; Acosta, D; Avery, P; Bourilkov, D; Chen, M; Cheng, T; Das, S; De Gruttola, M; Di Giovanni, G P; Dobur, D; Drozdetskiy, A; Field, R D; Fisher, M; Fu, Y; Furic, I K; Hugon, J; Kim, B; Konigsberg, J; Korytov, A; Kropivnitskaya, A; Kypreos, T; Low, J F; Matchev, K; Milenovic, P; Mitselmakher, G; Muniz, L; Remington, R; Rinkevicius, A; Skhirtladze, N; Snowball, M; Yelton, J; Zakaria, M; Gaultney, V; Hewamanage, S; Linn, S; Markowitz, P; Martinez, G; Rodriguez, J L; Adams, T; Askew, A; Bochenek, J; Chen, J; Diamond, B; Gleyzer, S V; Haas, J; Hagopian, S; Hagopian, V; Johnson, K F; Prosper, H; Veeraraghavan, V; Weinberg, M; Baarmand, M M; Dorney, B; Hohlmann, M; Kalakhety, H; Yumiceva, F; Adams, M R; Apanasevich, L; Bazterra, V E; Betts, R R; Bucinskaite, I; Callner, J; Cavanaugh, R; Evdokimov, O; Gauthier, L; Gerber, C E; Hofman, D J; Khalatyan, S; Kurt, P; Lacroix, F; Moon, D H; O'Brien, C; Silkworth, C; Strom, D; Turner, P; Varelas, N; Akgun, U; Albayrak, E A; Bilki, B; Clarida, W; Dilsiz, K; Duru, F; Griffiths, S; Merlo, J-P; Mermerkaya, H; Mestvirishvili, A; Moeller, A; Nachtman, J; Newsom, C R; Ogul, H; Onel, Y; Ozok, F; Sen, S; Tan, P; Tiras, E; Wetzel, J; Yetkin, T; Yi, K; Barnett, B A; Blumenfeld, B; Bolognesi, S; Giurgiu, G; Gritsan, A V; Hu, G; Maksimovic, P; Martin, C; Swartz, M; Whitbeck, A; Baringer, P; Bean, A; Benelli, G; Kenny, R P; Murray, M; Noonan, D; Sanders, S; Stringer, R; Wood, J S; Barfuss, A F; Chakaberia, I; Ivanov, A; Khalil, S; Makouski, M; Maravin, Y; Shrestha, S; Svintradze, I; Gronberg, J; Lange, D; Rebassoo, F; Wright, D; Baden, A; Calvert, B; Eno, S C; Gomez, J A; Hadley, N J; Kellogg, R G; Kolberg, T; Lu, Y; Marionneau, M; Mignerey, A C; Pedro, K; Peterman, A; Skuja, A; Temple, J; Tonjes, M B; Tonwar, S C; Apyan, A; Bauer, G; Busza, W; Cali, I A; Chan, M; Di Matteo, L; Dutta, V; Gomez Ceballos, G; Goncharov, M; Gulhan, D; Kim, Y; Klute, M; Lai, Y S; Levin, A; Luckey, P D; Ma, T; Nahn, S; Paus, C; Ralph, D; Roland, C; Roland, G; Stephans, G S F; Stöckli, F; Sumorok, K; Velicanu, D; Wolf, R; Wyslouch, B; Yang, M; Yilmaz, Y; Yoon, A S; Zanetti, M; Zhukova, V; Dahmes, B; De Benedetti, A; Franzoni, G; Gude, A; Haupt, J; Kao, S C; Klapoetke, K; Kubota, Y; Mans, J; Pastika, N; Rusack, R; Sasseville, M; Singovsky, A; Tambe, N; Turkewitz, J; Acosta, J G; Cremaldi, L M; Kroeger, R; Oliveros, S; Perera, L; Rahmat, R; Sanders, D A; Summers, D; Avdeeva, E; Bloom, K; Bose, S; Claes, D R; Dominguez, A; Eads, M; Suarez, R Gonzalez; Keller, J; Kravchenko, I; Lazo-Flores, J; Malik, S; Meier, F; Snow, G R; Dolen, J; Godshalk, A; Iashvili, I; Jain, S; Kharchilava, A; Kumar, A; Rappoccio, S; Wan, Z; Alverson, G; Barberis, E; Baumgartel, D; Chasco, M; Haley, J; Massironi, A; Nash, D; Orimoto, T; Trocino, D; Wood, D; Zhang, J; Anastassov, A; Hahn, K A; Kubik, A; Lusito, L; Mucia, N; Odell, N; Pollack, B; Pozdnyakov, A; Schmitt, M; Stoynev, S; Sung, K; Velasco, M; Won, S; Berry, D; Brinkerhoff, A; Chan, K M; Hildreth, M; Jessop, C; Karmgard, D J; Kolb, J; Lannon, K; Luo, W; Lynch, S; Marinelli, N; Morse, D M; Pearson, T; Planer, M; Ruchti, R; Slaunwhite, J; Valls, N; Wayne, M; Wolf, M; Antonelli, L; Bylsma, B; Durkin, L S; Hill, C; Hughes, R; Kotov, K; Ling, T Y; Puigh, D; Rodenburg, M; Smith, G; Vuosalo, C; Winer, B L; Wolfe, H; Berry, E; Elmer, P; Halyo, V; Hebda, P; Hegeman, J; Hunt, A; Jindal, P; Koay, S A; Lujan, P; Marlow, D; Medvedeva, T; Mooney, M; Olsen, J; Piroué, P; Quan, X; Raval, A; Saka, H; Stickland, D; Tully, C; Werner, J S; Zenz, S C; Zuranski, A; Brownson, E; Lopez, A; Mendez, H; Ramirez Vargas, J E; Alagoz, E; Benedetti, D; Bolla, G; Bortoletto, D; De Mattia, M; Everett, A; Hu, Z; Jones, M; Jung, K; Koybasi, O; Kress, M; Leonardo, N; Lopes Pegna, D; Maroussov, V; Merkel, P; Miller, D H; Neumeister, N; Shipsey, I; Silvers, D; Svyatkovskiy, A; Vidal Marono, M; Wang, F; Xie, W; Xu, L; Yoo, H D; Zablocki, J; Zheng, Y; Guragain, S; Parashar, N; Adair, A; Akgun, B; Ecklund, K M; Geurts, F J M; Padley, B P; Redjimi, R; Roberts, J; Zabel, J; Betchart, B; Bodek, A; Covarelli, R; de Barbaro, P; Demina, R; Eshaq, Y; Ferbel, T; Garcia-Bellido, A; Goldenzweig, P; Han, J; Harel, A; Miner, D C; Petrillo, G; Vishnevskiy, D; Zielinski, M; Bhatti, A; Ciesielski, R; Demortier, L; Goulianos, K; Lungu, G; Malik, S; Mesropian, C; Arora, S; Barker, A; Chou, J P; Contreras-Campana, C; Contreras-Campana, E; Duggan, D; Ferencek, D; Gershtein, Y; Gray, R; 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Herndon, M; Hervé, A; Klabbers, P; Klukas, J; Lanaro, A; Loveless, R; Mohapatra, A; Mozer, M U; Ojalvo, I; Pierro, G A; Polese, G; Ross, I; Savin, A; Smith, W H; Swanson, J

Spectra of identified charged hadrons are measured in pPb collisions with the CMS detector at the LHC at [Formula: see text]. Charged pions, kaons, and protons in the transverse-momentum range [Formula: see text]-1.7[Formula: see text] and laboratory rapidity [Formula: see text] are identified via their energy loss in the silicon tracker. The average [Formula: see text] increases with particle mass and the charged multiplicity of the event. The increase of the average [Formula: see text] with charged multiplicity is greater for heavier hadrons. Comparisons to Monte Carlo event generators reveal that Epos Lhc, which incorporates additional hydrodynamic evolution of the created system, is able to reproduce most of the data features, unlike Hijing and Ampt. The [Formula: see text] spectra and integrated yields are also compared to those measured in pp and PbPb collisions at various energies. The average transverse momentum and particle ratio measurements indicate that particle production at LHC energies is strongly correlated with event particle multiplicity.

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

Pulse charging of lead-acid traction cells

NASA Technical Reports Server (NTRS)

Smithrick, J. J.

1980-01-01

Pulse charging, as a method of rapidly and efficiently charging 300 amp-hour lead-acid traction cells for an electric vehicle application was investigated. A wide range of charge pulse current square waveforms were investigated and the results were compared to constant current charging at the time averaged pulse current values. Representative pulse current waveforms were: (1) positive waveform-peak charge pulse current of 300 amperes (amps), discharge pulse-current of zero amps, and a duty cycle of about 50%; (2) Romanov waveform-peak charge pulse current of 300 amps, peak discharge pulse current of 15 amps, and a duty of 50%; and (3) McCulloch waveform peak charge pulse current of 193 amps, peak discharge pulse current of about 575 amps, and a duty cycle of 94%. Experimental results indicate that on the basis of amp-hour efficiency, pulse charging offered no significant advantage as a method of rapidly charging 300 amp-hour lead-acid traction cells when compared to constant current charging at the time average pulse current value. There were, however, some disadvantages of pulse charging in particular a decrease in charge amp-hour and energy efficiencies and an increase in cell electrolyte temperature. The constant current charge method resulted in the best energy efficiency with no significant sacrifice of charge time or amp-hour output. Whether or not pulse charging offers an advantage over constant current charging with regard to the cell charge/discharge cycle life is unknown at this time.

System-size convergence of point defect properties: The case of the silicon vacancy

NASA Astrophysics Data System (ADS)

Corsetti, Fabiano; Mostofi, Arash A.

2011-07-01

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the well-known finite size errors associated with calculating formation energies and stable charge state transition levels of isolated defects with periodic boundary conditions. Furthermore, we find that transition levels converge faster with respect to supercell size when only the Γ-point is sampled in the Brillouin zone, as opposed to a dense k-point sampling. This arises from the fact that defect level at the Γ-point quickly converges to a fixed value which correctly describes the bonding at the defect center. Our calculated transition levels with 1000-atom supercells and Γ-point only sampling are in good agreement with available experimental results. We also demonstrate two simple and accurate approaches for calculating the valence band offsets that are required for computing formation energies of charged defects, one based on a potential averaging scheme and the other using maximally-localized Wannier functions (MLWFs). Finally, we show that MLWFs provide a clear description of the nature of the electronic bonding at the defect center that verifies the canonical Watkins model.

Surface degradation of Li1-xNi0.80Co0.15Al0.05O2 cathodes: Correlating charge transfer impedance with surface phase transformations

NASA Astrophysics Data System (ADS)

Sallis, S.; Pereira, N.; Mukherjee, P.; Quackenbush, N. F.; Faenza, N.; Schlueter, C.; Lee, T.-L.; Yang, W. L.; Cosandey, F.; Amatucci, G. G.; Piper, L. F. J.

2016-06-01

The pronounced capacity fade in Ni-rich layered oxide lithium ion battery cathodes observed when cycling above 4.1 V (versus Li/Li+) is associated with a rise in impedance, which is thought to be due to either bulk structural fatigue or surface reactions with the electrolyte (or combination of both). Here, we examine the surface reactions at electrochemically stressed Li1-xNi0.8Co0.15Al0.05O2 binder-free powder electrodes with a combination of electrochemical impedance spectroscopy, spatially resolving electron microscopy, and spatially averaging X-ray spectroscopy techniques. We circumvent issues associated with cycling by holding our electrodes at high states of charge (4.1 V, 4.5 V, and 4.75 V) for extended periods and correlate charge-transfer impedance rises observed at high voltages with surface modifications retained in the discharged state (2.7 V). The surface modifications involve significant cation migration (and disorder) along with Ni and Co reduction, and can occur even in the absence of significant Li2CO3 and LiF. These data provide evidence that surface oxygen loss at the highest levels of Li+ extraction is driving the rise in impedance.

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.

Design and experiment of vehicular charger AC/DC system based on predictive control algorithm

NASA Astrophysics Data System (ADS)

He, Guangbi; Quan, Shuhai; Lu, Yuzhang

2018-06-01

For the car charging stage rectifier uncontrollable system, this paper proposes a predictive control algorithm of DC/DC converter based on the prediction model, established by the state space average method and its prediction model, obtained by the optimal mathematical description of mathematical calculation, to analysis prediction algorithm by Simulink simulation. The design of the structure of the car charging, at the request of the rated output power and output voltage adjustable control circuit, the first stage is the three-phase uncontrolled rectifier DC voltage Ud through the filter capacitor, after by using double-phase interleaved buck-boost circuit with wide range output voltage required value, analyzing its working principle and the the parameters for the design and selection of components. The analysis of current ripple shows that the double staggered parallel connection has the advantages of reducing the output current ripple and reducing the loss. The simulation experiment of the whole charging circuit is carried out by software, and the result is in line with the design requirements of the system. Finally combining the soft with hardware circuit to achieve charging of the system according to the requirements, experimental platform proved the feasibility and effectiveness of the proposed predictive control algorithm based on the car charging of the system, which is consistent with the simulation results.

Determination of the tip temperature in laser assisted atom-probe tomography using charge state distributions

NASA Astrophysics Data System (ADS)

Marquis, Emmanuelle A.; Gault, Baptiste

2008-10-01

The method suggested by Kellogg [J. Appl. Phys. 52, 5320 (1981)] to estimate the temperature of a field emitter under laser pulsing irradiation is reconsidered in the case of a W-Re alloy. It is shown that the temperature obtained using this method is not the absolute temperature, but, if properly calibrated, a value that could be considered as a good approximation of the average temperature reached by the tip when illuminated by picosecond laser pulses.

Update: Viking Lander NiCd batteries. Year six

NASA Technical Reports Server (NTRS)

Britting, A. O., Jr.

1982-01-01

The performance of NiCd batteries on the Viking Mars landers is discussed. During evaluation, three of the four batteries were maintained in the discharged state. Battery charge regimes and close-together, deep-discharge, reconditioning cycles to retard degradation of batteries are discussed. The effect of elevated temperatures during Martian summer on battery performance were also considered. Tabulated data for average battery capacity as a function of time are given. A design uplink to allow more frequent, greater depth of discharge reconditioning cycles was proposed.

Oscillatory nonohomic current drive for maintaining a plasma current

DOEpatents

Fisch, N.J.

1984-01-01

Apparatus and methods are described for maintaining a plasma current with an oscillatory nonohmic current drive. Each cycle of operation has a generation period in which current driving energy is applied to the plasma, and a relaxation period in which current driving energy is removed. Plasma parameters, such as plasma temperature or plasma average ionic charge state, are modified during the generation period so as to oscillate plasma resistivity in synchronism with the application of current driving energy. The invention improves overall current drive efficiencies.

Oscillatory nonhmic current drive for maintaining a plasma current

DOEpatents

Fisch, Nathaniel J.

1986-01-01

Apparatus and method of the invention maintain a plasma current with an oscillatory nonohmic current drive. Each cycle of operation has a generation period in which current driving energy is applied to the plasma, and a relaxation period in which current driving energy is removed. Plasma parameters, such as plasma temperature or plasma average ionic charge state, are modified during the generation period so as to oscillate plasma resistivity in synchronism with the application of current driving energy. The invention improves overall current drive efficiencies.

78 FR 13999 - Maximum Interest Rates on Guaranteed Farm Loans

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-04

... loan customers. The existing regulations in 7 CFR 762.124(a)(3) tie the rate to that rate charged an ``average agricultural loan customer,'' as defined in 7 CFR 761.2. This rule would not change the core... charged an average agricultural loan customer. This interim rule follows a proposed rule on the same topic...

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.

Corrections to the Thomson cross section caused by relativistic effects and by the presence of the drift velocity of a classical charged particle in the field of a monochromatic plane wave

NASA Astrophysics Data System (ADS)

Perestoronin, A. V.

2017-03-01

An approach to the solution of the relativistic problem of the motion of a classical charged particle in the field of a monochromatic plane wave with an arbitrary polarization (linear, circular, or elliptic) is proposed. It is based on the analysis of the 4-vector equation of motion of the charged particle together with the 4-vector and tensor equations for the components of the electromagnetic field tensor of a monochromatic plane wave. This approach provides analytical expressions for the time-averaged square of the 4-acceleration of the charge, as well as for the averaged values of any quantities periodic in the time of the reference frame. Expressions for the integral power of scattered radiation, which is proportional to the time-averaged square of the 4-acceleration of the charge, and for the integral scattering cross section, which is the ratio of the power of scattered radiation to the intensity of incident radiation, are obtained for an arbitrary inertial reference frame. An expression for the scattering cross section, which coincides with the known results at the circular and linear polarizations of the incident waves and describes the case of elliptic polarization of the incident wave, is obtained for the reference frame where the charged particle is on average at rest. An expression for the scattering cross section including relativistic effects and the nonzero drift velocity of a particle in this system is obtained for the laboratory reference frame, where the initial velocity of the charged particle is zero. In the case of the circular polarization of the incident wave, the scattering cross section in the laboratory frame is equal to the Thompson cross section.

Effect of positive pulse charge waveforms on cycle life of nickel-zinc cells

NASA Technical Reports Server (NTRS)

Smithrick, J. J.

1980-01-01

Five amp-hour nickel-zinc cells were life cycled to evaluate four different charge methods. Three of the four waveforms investigated were 120 Hz full wave rectified sinusoidal (FWRS), 120 Hz silicon controlled rectified (SCR), and 1 kHz square wave (SW). The fourth, a constant current method, was used as a baseline of comparison. Three sealed Ni-Zn cells connected in series were cycled. Each series string was charged at an average c/20 rate, and discharged at a c/2.5 rate to a 75% rated depth. Results indicate that the relatively inexpensive 120 Hz FWRS charger appears feasible for charging 5 amp-hour nickel-zinc cells with no significant loss in average cycle life when compared to constant current charging. The 1-kHz SW charger could also be used with no significant loss in average cycle life, and suggests the possibility of utilizing the existing electric vehicle chopper controller circuitry for an on-board charger. There was an apparent difference using the 120 Hz SCR charger compared to the others, however, this difference could be due to an inadvertent severe overcharge, which occurred prior to cell failure. The remaining two positive pulse charging waveforms, FWRS and 1 kHz, did not improve the cycle life of 5 amp-hour nickel-zinc cells over that of constant current charging.

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

Charge dynamics of the antiferromagnetically ordered Mott insulator

NASA Astrophysics Data System (ADS)

Han, Xing-Jie; Liu, Yu; Liu, Zhi-Yuan; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xie, Zhi-Yuan; Normand, B.; Xiang, Tao

2016-10-01

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon-doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon-doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott-Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the fundamental physics of the Mott state, both in the antiferromagnetic insulator and at finite temperatures and dopings.

Origin, transport, and losses of energetic He(+) and He(2+) ions in the magnetosphere of the Earth - AMPTE/CCE observations

NASA Technical Reports Server (NTRS)

Kremser, G.; Wilken, B.; Gloeckler, G.; Hamilton, D. C.; Ipavich, F. M.; Kistler, L. M.; Tanskanen, P.

1993-01-01

Data from the ion charge-energy-mass spectrometer CHEM flown on AMPTE/CCE spacecraft are used to investigate the origin, transport, and losses of energetic He(+) and He(2+) ions in the earth's magnetosphere. The L profiles of the average ion phase space density f were determined as a function of the magnetic momentum. It is shown that the L profiles have an inner part, where f increases with L for both He(+) adn He(2+) and where steady-state conditions are fulfilled. The outer boundary L(lim) of this region is located at a distance that depends on the ion species and the geomagnetic activity level. Steady-state conditions continue outside L(lim) for He(+) ions, while the He(2+) ion distribution outside L(lim) is strongly influenced by ion convection causing a lack of steady-state conditions. It is concluded that solar wind is the origin of the He(2+), while a mixed origin is suggested for the He(+) ions, in which the major contribution is from the solar wind via charge exchange production from the He(2+) ions.

40 CFR 60.2675 - What operating limits must I meet and by when?

Code of Federal Regulations, 2012 CFR

2012-07-01

... units, maximum charge rate is 110 percent of the average charge rate measured during the most recent..., maximum charge rate is 110 percent of the daily charge rate measured during the most recent performance... scrubber measured during the most recent performance test demonstrating compliance with the particulate...

40 CFR 62.14635 - What operating limits must I meet and by when?

Code of Federal Regulations, 2012 CFR

2012-07-01

..., maximum charge rate is 110 percent of the average charge rate measured during the most recent performance... charge rate is 110 percent of the daily charge rate measured during the most recent performance test... during the most recent performance test demonstrating compliance with the particulate matter emission...

40 CFR 62.14635 - What operating limits must I meet and by when?

Code of Federal Regulations, 2011 CFR

2011-07-01

..., maximum charge rate is 110 percent of the average charge rate measured during the most recent performance... charge rate is 110 percent of the daily charge rate measured during the most recent performance test... during the most recent performance test demonstrating compliance with the particulate matter emission...

40 CFR 62.14635 - What operating limits must I meet and by when?

Code of Federal Regulations, 2014 CFR

2014-07-01

..., maximum charge rate is 110 percent of the average charge rate measured during the most recent performance... charge rate is 110 percent of the daily charge rate measured during the most recent performance test... during the most recent performance test demonstrating compliance with the particulate matter emission...

40 CFR 62.14635 - What operating limits must I meet and by when?

Code of Federal Regulations, 2010 CFR

2010-07-01

..., maximum charge rate is 110 percent of the average charge rate measured during the most recent performance... charge rate is 110 percent of the daily charge rate measured during the most recent performance test... during the most recent performance test demonstrating compliance with the particulate matter emission...

40 CFR 62.14635 - What operating limits must I meet and by when?

Code of Federal Regulations, 2013 CFR

2013-07-01

..., maximum charge rate is 110 percent of the average charge rate measured during the most recent performance... charge rate is 110 percent of the daily charge rate measured during the most recent performance test... during the most recent performance test demonstrating compliance with the particulate matter emission...

High-performance flexible energy storage and harvesting system for wearable electronics

NASA Astrophysics Data System (ADS)

Ostfeld, Aminy E.; Gaikwad, Abhinav M.; Khan, Yasser; Arias, Ana C.

2016-05-01

This paper reports on the design and operation of a flexible power source integrating a lithium ion battery and amorphous silicon solar module, optimized to supply power to a wearable health monitoring device. The battery consists of printed anode and cathode layers based on graphite and lithium cobalt oxide, respectively, on thin flexible current collectors. It displays energy density of 6.98 mWh/cm2 and demonstrates capacity retention of 90% at 3C discharge rate and ~99% under 100 charge/discharge cycles and 600 cycles of mechanical flexing. A solar module with appropriate voltage and dimensions is used to charge the battery under both full sun and indoor illumination conditions, and the addition of the solar module is shown to extend the battery lifetime between charging cycles while powering a load. Furthermore, we show that by selecting the appropriate load duty cycle, the average load current can be matched to the solar module current and the battery can be maintained at a constant state of charge. Finally, the battery is used to power a pulse oximeter, demonstrating its effectiveness as a power source for wearable medical devices.

High-performance flexible energy storage and harvesting system for wearable electronics.

PubMed

Ostfeld, Aminy E; Gaikwad, Abhinav M; Khan, Yasser; Arias, Ana C

2016-05-17

This paper reports on the design and operation of a flexible power source integrating a lithium ion battery and amorphous silicon solar module, optimized to supply power to a wearable health monitoring device. The battery consists of printed anode and cathode layers based on graphite and lithium cobalt oxide, respectively, on thin flexible current collectors. It displays energy density of 6.98 mWh/cm(2) and demonstrates capacity retention of 90% at 3C discharge rate and ~99% under 100 charge/discharge cycles and 600 cycles of mechanical flexing. A solar module with appropriate voltage and dimensions is used to charge the battery under both full sun and indoor illumination conditions, and the addition of the solar module is shown to extend the battery lifetime between charging cycles while powering a load. Furthermore, we show that by selecting the appropriate load duty cycle, the average load current can be matched to the solar module current and the battery can be maintained at a constant state of charge. Finally, the battery is used to power a pulse oximeter, demonstrating its effectiveness as a power source for wearable medical devices.

Easy plane baby Skyrmions

NASA Astrophysics Data System (ADS)

Jäykkä, Juha; Speight, Martin

2010-12-01

The baby Skyrme model is studied with a novel choice of potential, V=(1)/(2)ϕ32. This “easy plane” potential vanishes at the equator of the target two-sphere. Hence, in contrast to previously studied cases, the boundary value of the field breaks the residual SO(2) internal symmetry of the model. Consequently, even the unit charge Skyrmion has only discrete symmetry and consists of a bound state of two half lumps. A model of long-range inter-Skyrmion forces is developed wherein a unit Skyrmion is pictured as a single scalar dipole inducing a massless scalar field tangential to the vacuum manifold. This model has the interesting feature that the two-Skyrmion interaction energy depends only on the average orientation of the dipoles relative to the line joining them. Its qualitative predictions are confirmed by numerical simulations. Global energy minimizers of charges B=1,…,14,18,32 are found numerically. Up to charge B=6, the minimizers have 2B half lumps positioned at the vertices of a regular 2B-gon. For charges B≥7, rectangular or distorted rectangular arrays of 2B half lumps are preferred, as close to square as possible.

High-performance flexible energy storage and harvesting system for wearable electronics

PubMed Central

Ostfeld, Aminy E.; Gaikwad, Abhinav M.; Khan, Yasser; Arias, Ana C.

2016-01-01

This paper reports on the design and operation of a flexible power source integrating a lithium ion battery and amorphous silicon solar module, optimized to supply power to a wearable health monitoring device. The battery consists of printed anode and cathode layers based on graphite and lithium cobalt oxide, respectively, on thin flexible current collectors. It displays energy density of 6.98 mWh/cm2 and demonstrates capacity retention of 90% at 3C discharge rate and ~99% under 100 charge/discharge cycles and 600 cycles of mechanical flexing. A solar module with appropriate voltage and dimensions is used to charge the battery under both full sun and indoor illumination conditions, and the addition of the solar module is shown to extend the battery lifetime between charging cycles while powering a load. Furthermore, we show that by selecting the appropriate load duty cycle, the average load current can be matched to the solar module current and the battery can be maintained at a constant state of charge. Finally, the battery is used to power a pulse oximeter, demonstrating its effectiveness as a power source for wearable medical devices. PMID:27184194

Impact of cigarette minimum price laws on the retail price of cigarettes in the USA.

PubMed

Tynan, Michael A; Ribisl, Kurt M; Loomis, Brett R

2013-05-01

Cigarette price increases prevent youth initiation, reduce cigarette consumption and increase the number of smokers who quit. Cigarette minimum price laws (MPLs), which typically require cigarette wholesalers and retailers to charge a minimum percentage mark-up for cigarette sales, have been identified as an intervention that can potentially increase cigarette prices. 24 states and the District of Columbia have cigarette MPLs. Using data extracted from SCANTRACK retail scanner data from the Nielsen company, average cigarette prices were calculated for designated market areas in states with and without MPLs in three retail channels: grocery stores, drug stores and convenience stores. Regression models were estimated using the average cigarette pack price in each designated market area and calendar quarter in 2009 as the outcome variable. The average difference in cigarette pack prices are 46 cents in the grocery channel, 29 cents in the drug channel and 13 cents in the convenience channel, with prices being lower in states with MPLs for all three channels. The findings that MPLs do not raise cigarette prices could be the result of a lack of compliance and enforcement by the state or could be attributed to the minimum state mark-up being lower than the free-market mark-up for cigarettes. Rather than require a minimum mark-up, which can be nullified by promotional incentives and discounts, states and countries could strengthen MPLs by setting a simple 'floor price' that is the true minimum price for all cigarettes or could prohibit discounts to consumers and retailers.

Electrochemical Ultracapacitors Using Graphitic Nanostacks

NASA Technical Reports Server (NTRS)

Marotta, Christopher

2012-01-01

Electrochemical ultracapacitors (ECs) have been developed using graphitic nanostacks as the electrode material. The advantages of this technology will be the reduction of device size due to superior power densities and relative powers compared to traditional activated carbon electrodes. External testing showed that these materials display reduced discharge response times compared to state-of-the-art materials. Such applications are advantageous for pulsed power applications such as burst communications (satellites, cell phones), electromechanical actuators, and battery load leveling in electric vehicles. These carbon nanostructures are highly conductive and offer an ordered mesopore network. These attributes will provide more complete electrolyte wetting, and faster release of stored charge compared to activated carbon. Electrochemical capacitor (EC) electrode materials were developed using commercially available nanomaterials and modifying them to exploit their energy storage properties. These materials would be an improvement over current ECs that employ activated carbon as the electrode material. Commercially available graphite nanofibers (GNFs) are used as precursor materials for the synthesis of graphitic nanostacks (GNSs). These materials offer much greater surface area than graphite flakes. Additionally, these materials offer a superior electrical conductivity and a greater average pore size compared to activated carbon electrodes. The state of the art in EC development uses activated carbon (AC) as the electrode material. AC has a high surface area, but its small average pore size inhibits electrolyte ingress/egress. Additionally, AC has a higher resistivity, which generates parasitic heating in high-power applications. This work focuses on fabricating EC from carbon that has a very different structure by increasing the surface area of the GNF by intercalation or exfoliation of the graphitic basal planes. Additionally, various functionalities to the GNS surface will be added that can exhibit pseudocapacitance. This pseudocapacitance exhibits faradaic (charge transfer) properties that can further increase the overall relative and volumetric capacitance of the material. A process is also proposed to use GNF as a precursor material to fabricate GNS that will be used as EC electrodes. This results in much better electrical conductivity than activated carbon. This is advantageous for high-pulsed-power applications to reduce parasitic heating. Larger average pore size allows more complete electrolyte wetting (faster charge transfer kinetics). These properties contribute to a lowered equivalent series resistance (ESR), increased specific power, shorter charging times, and decreased parasitic heating. The high density of basal plane edges provides nucleation sites for activation (addition of hydrophilic functional groups) that facilitate electrolyte wetting, and will contribute to pseudocapacitance.

The effect of maternal substance abuse on the cost of neonatal care.

PubMed

Norton, E C; Zarkin, G A; Calingaert, B; Bradley, C J

1996-01-01

This study addresses the effect of maternal substance abuse on the cost of neonatal care in a sample of all singleton live births in Maryland in 1991. Most other cost studies have analyzed data from only one hospital; we analyzed data from 54 hospitals and therefore can control for individual hospital effects and correlation of observations within hospitals. We find that maternal drug abuse has a significant positive effect on total hospital charges, length of stay, and average daily charges, with the increase in length of stay being proportionally greater than the increase in average daily charges. Maternal alcohol abuse also has a positive effect on hospital charges and length of stay, but the effects are not statistically significant. About half the effect of drug abuse on total charges works indirectly through premature birth and other comorbidities.

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

J/ψ production as a function of charged-particle pseudorapidity density in p-Pb collisions at √{sNN } = 5.02TeV

NASA Astrophysics Data System (ADS)

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

2018-01-01

We report measurements of the inclusive J/ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dNch / dη in p-Pb collisions at √{sNN } = 5.02TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive events. An increase of the normalised J/ψ yield with normalised dNch / dη, measured at mid-rapidity, is observed at mid-rapidity and backward rapidity. At forward rapidity, a saturation of the relative yield is observed for high charged-particle multiplicities. The normalised average transverse momentum at forward and backward rapidities increases with multiplicity at low multiplicities and saturates beyond moderate multiplicities. In addition, the forward-to-backward nuclear modification factor ratio is also reported, showing an increasing suppression of J/ψ production at forward rapidity with respect to backward rapidity for increasing charged-particle multiplicity.

J/ψ production as a function of charged-particle pseudorapidity density in p–Pb collisions at s NN = 5.02 TeV

DOE PAGES

Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; ...

2017-11-08

Here, we report measurements of the inclusive J/ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dN ch/dη in p–Pb collisions atmore » $$\\sqrt{s}$$$_ {NN}$$ = 5.02 TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive events. An increase of the normalised J/ψ yield with normalised dN ch/dη, measured at mid-rapidity, is observed at mid-rapidity and backward rapidity. At forward rapidity, a saturation of the relative yield is observed for high charged-particle multiplicities. The normalised average transverse momentum at forward and backward rapidities increases with multiplicity at low multiplicities and saturates beyond moderate multiplicities. In addition, the forward-to-backward nuclear modification factor ratio is also reported, showing an increasing suppression of J/ψ production at forward rapidity with respect to backward rapidity for increasing charged-particle multiplicity.« less

J/ψ production as a function of charged-particle pseudorapidity density in p–Pb collisions at s NN = 5.02 TeV

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

Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.

Here, we report measurements of the inclusive J/ψ yield and average transverse momentum as a function of charged-particle pseudorapidity density dN ch/dη in p–Pb collisions atmore » $$\\sqrt{s}$$$_ {NN}$$ = 5.02 TeV with ALICE at the LHC. The observables are normalised to their corresponding averages in non-single diffractive events. An increase of the normalised J/ψ yield with normalised dN ch/dη, measured at mid-rapidity, is observed at mid-rapidity and backward rapidity. At forward rapidity, a saturation of the relative yield is observed for high charged-particle multiplicities. The normalised average transverse momentum at forward and backward rapidities increases with multiplicity at low multiplicities and saturates beyond moderate multiplicities. In addition, the forward-to-backward nuclear modification factor ratio is also reported, showing an increasing suppression of J/ψ production at forward rapidity with respect to backward rapidity for increasing charged-particle multiplicity.« less

Long-term youth criminal outcomes in MST transport: the impact of therapist adherence and organizational climate and structure.

PubMed

Schoenwald, Sonja K; Chapman, Jason E; Sheidow, Ashli J; Carter, Rickey E

2009-01-01

This study investigated relations among therapist adherence to an evidence-based treatment for youth with serious antisocial behavior (i.e., Multisystemic Therapy), organizational climate and structure, and youth criminal charges on average 4 years posttreatment. Participants were 1,979 youth and families treated by 429 therapists across 45 provider organizations. Results showed therapist adherence predicted significantly lower rates of youth criminal charges independently and in the presence of organizational variables. Therapist perceptions of job satisfaction and opportunities for growth and advancement relative to the organizational average predicted youth criminal charges, as did organizational average levels of participation in decision making. These associations washed out in the presence of adherence, despite the fact that job satisfaction and growth and advancement were associated with adherence.

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.

Charge states of low energy ions from the sun. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sciambi, R. K.

1975-01-01

Measurements of ionization states and energy spectra of carbon, oxygen, and iron accelerated in ten solar flare particle events are reported, for energies between 15 keV per nucleon and 600 keV per nucleon. The ionization states were remarkably constant from flare to flare, despite great variations in other event parameters. The mean ionization state for carbon was 5.7, for oxygen 6.2, and for iron 11.7, values which are similar to the respective ionization states in the solar wind. The time profile of the He/C+N+O ratio was examined, and it was found that the ratio was small early in the event, and increased with time. The energy spectra of the medium ions showed a flattening below 100 keV per nucleon, which was highly correlated with event size as measured by the event averaged flux of 130 to 220 keV protons.

Racial Differences in Outcomes after Acute Ischemic Stroke Hospitalization in the United States.

PubMed

Kumar, Nilay; Khera, Rohan; Pandey, Ambarish; Garg, Neetika

2016-08-01

Racial differences in stroke outcomes have major health policy implications. There is paucity of contemporary data on racial differences in clinical outcomes and resource utilization in acute ischemic stroke hospitalizations in the United States. We used the 2011-2012 National Inpatient Sample to identify hospitalizations with a primary diagnosis of acute ischemic stroke. Primary outcomes were in-hospital mortality, utilization of thrombolysis, and endovascular mechanical thrombectomy (EMT). Secondary outcomes were length of stay (LOS) and average inflation-adjusted charges. A total of 173,910 hospitalizations representing 835,811 hospitalizations nationwide were included in the study. Mean age was 70.9 years and 52.3% were women. Blacks (adjusted OR .71, 95% CI .64-.78, P < .001) and Asian or Pacific Islanders (adjusted OR .80, 95% CI .66-.97, P = .02) had a lower in-hospital mortality compared to Whites. Blacks were less likely to be treated with thrombolysis (adjusted OR .84, 95% CI .76-.92, P < .001) and EMT (OR .73, 95% CI .58-.91, P = .01). Average LOS and inflation-adjusted charges were significantly higher for racial minorities compared to Whites. Blacks and Asians hospitalized for ischemic stroke are less likely to die in the hospital compared to Whites. Hospitalization for stroke in Blacks is associated with lower rates of reperfusion therapy, longer lengths of stay, and higher costs compared to Whites. Copyright © 2016 National Stroke Association. Published by Elsevier Inc. All rights reserved.

Electric Vehicle Charging and the California Power Sector: Evaluating the Effect of Location and Time on Greenhouse Gas Emissions

NASA Astrophysics Data System (ADS)

Sohnen, Julia Meagher

This thesis explores the implications of the increased adoption of plug-in electric vehicles in California through its effect on the operation of the state's electric grid. The well-to-wheels emissions associated with driving an electric vehicle depend on the resource mix of the electricity grid used to charge the battery. We present a new least-cost dispatch model, EDGE-NET, for the California electricity grid consisting of interconnected sub-regions that encompass the six largest state utilities that can be used to evaluate the impact of growing electric vehicle demand on existing power grid infrastructure system and energy resources. This model considers spatiality and temporal dynamics of energy demand and supply when determining the regional impacts of additional charging profiles on the current electricity network. Model simulation runs for one year show generation and transmission congestion to be reasonable similar to historical data. Model simulation results show that average emissions and system costs associated with electricity generation vary significantly by time of day, season, and location. Marginal cost and emissions also exhibit seasonal and diurnal differences, but show less spatial variation. Sensitivity of demand analysis shows that the relative changes to average emissions and system costs respond asymmetrically to increases and decreases in electricity demand. These results depend on grid mix at the time and the marginal power plant type. In minimizing total system cost, the model will choose to dispatch the lowest-cost resource to meet additional vehicle demand, regardless of location, as long as transmission capacity is available. Location of electric vehicle charging has a small effect on the marginal greenhouse gas emissions associated with additional generation, due to electricity losses in the transmission grid. We use a geographically explicit, charging assessment model for California to develop and compare the effects of two charging profiles. Comparison of these two basic scenarios points to savings in greenhouse gas emissions savings and operational costs from delayed charging of electric vehicles. Vehicle charging simulations confirm that plug-in electric vehicles alone are unlikely to require additional generation or transmission infrastructure. EDGE-NET was successfully benchmarked against historical data for the present grid but additional work is required to expand the model for future scenario evaluation. We discuss how the model might be adapted for high penetrations of variable renewable energy resources, and the use of grid storage. Renewable resources such as wind and solar vary in California vary significantly by time-of-day, season, and location. However, combination of multiple resources from different geographic regions through transmission grid interconnection is expected to help mitigate the impacts of variability. EDGE-NET can evaluate interaction of supply and demand through the existing transmission infrastructure and can identify any critical network bottlenecks or areas for expansion. For this reason, EDGE-NET will be an important tool to evaluate energy policy scenarios.

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.

Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

PubMed

Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

2004-08-01

Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.

Inpatient versus outpatient cleft lip repair and alveolar bone grafting: a cost analysis.

PubMed

Albert, Mark Graham; Babchenko, Oksana Olegovna; Lalikos, Janice Fay; Rothkopf, Douglas Miller

2014-12-01

The lifetime cost of a child with an orofacial cleft is estimated at $101,000, which amounts to $697 million total for those born each year with orofacial clefts. There has been a trend toward outpatient procedures for cleft lip repair (CLR) and alveolar bone grafting (ABG), and studies have shown no disparities in safety or outcome between inpatient and ambulatory treatment. The financial implications of outpatient versus inpatient procedures have not been compared. Financial data were collected for outpatient (n = 33) and inpatient (n = 2) CLR, as well as outpatient (n = 7) and inpatient (n = 5) ABG during a 5-year period at our institution. We examined hospital charges and reimbursement for these procedures by private insurance plans and Medicaid Managed Care (MMC) plans. The average total reimbursements for inpatient and outpatient CLR were similar at $6848 and $5557, respectively. Average facility reimbursement for CLR was greater for inpatient ($5344) than outpatient ($4291) procedures. Average professional reimbursement was similar between inpatient ($1504) and outpatient ($1266) CLR.For ABG, the average total inpatient reimbursement was $14,573, whereas outpatient was $8877. Average facility reimbursements were greater for inpatient ($12,398) than outpatient ($7183) ABG. Average professional reimbursement was similar between inpatient ($2175) and outpatient ($1693) ABG, with 35% and 31% of charges reimbursed, respectively.A substantial difference existed between reimbursements based on insurance types for both outpatient CLR and outpatient ABG. On average for CLR, commercial payers reimbursed 52% ($7344) of overall charges, whereas Medicaid and MMC reimbursed 9% ($1447). For ABG, commercial payers reimbursed an average of 78% ($11,950) of overall charges, whereas Medicaid and MMC reimbursed 10% ($1192). Fewer patients' insurance companies are reimbursing for inpatient stays; in many cases, even patients who remain hospitalized up to 48 hours are treated as "day surgery" from a reimbursement perspective. For outpatient surgery, a greater percentage of CLR and ABG charges were successfully recouped compared to inpatient surgery. Awareness of higher payment for inpatient surgery and potential savings through use of the outpatient setting is crucial for hospitals and the US health care system as a whole.

Charged structure constants from modularity

NASA Astrophysics Data System (ADS)

Das, Diptarka; Datta, Shouvik; Pal, Sridip

2017-11-01

We derive a universal formula for the average heavy-heavy-light structure constants for 2 d CFTs with non-vanishing u(1) charge. The derivation utilizes the modular properties of one-point functions on the torus. Refinements in N=2 SCFTs, show that the resulting Cardy-like formula for the structure constants has precisely the same shifts in the central charge as that of the thermodynamic entropy found earlier. This analysis generalizes the recent results by Kraus and Maloney for CFTs with an additional global u(1) symmetry [1]. Our results at large central charge are also shown to match with computations from the holographic dual, which suggest that the averaged CFT three-point coefficient also serves as a useful probe of detecting black hole hair.

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.

Financial ratios in diagnostic radiology practices: variability and trends.

PubMed

Hogan, Christopher; Sunshine, Jonathan H

2004-03-01

To evaluate variation in financial ratios for radiology practices nationwide and trends in these ratios and in payments. In 1999, the American College of Radiology surveyed radiology practices by mail. The final response rate was 66%. Weighting was used to make responses representative of all radiology practices in the United States. Self-reported financial ratios (payments, charges, accounts receivable turnover) were analyzed; 449 responses had usable data on these ratios. Comparison with results of a similar 1992 survey and combined analysis with Medicare data on billed charges provided information on trends. All measures of payment collections declined sharply from 1992 to 1999, with the gross collections rate (revenues as percentage of billed charges) decreasing from 71% to 55%. Average payment for a typical radiology service decreased approximately 4% in dollar terms or approximately 19% in inflation-adjusted terms. In 1999, nonmetropolitan practices appeared to fare better than others. Among insurers, Medicaid stood out as a low and slow payer, but neither managed care nor Medicare had a consistent effect on financial ratios. The gross collections rate varied substantially across geographic areas, as did, in an inverse pattern, the level of billed charges. One-quarter of practices had accounts receivable equal to 90 or more days of billings. The opposing geographic pattern of billed charges and gross collection rate suggests that geographic variation in the latter is driven more by variation in billed charges than by variation in payment levels. Radiologists saw a substantial decrease in the real (inflation-adjusted) value of payment per service during the 1990s. The large fraction of practices with accounts receivable of 90 or more days of billings-a level considered potentially imprudent by financial management advisors-suggests that many practices should improve financial management and that state prompt-payment laws have not had a substantial positive effect. Copyright RSNA, 2004

The average motion of a charged particle in a dipole field

NASA Technical Reports Server (NTRS)

Chen, A. J.; Stern, D. P.

1974-01-01

The numerical representation of the average motion of a charged particle trapped in a geomagnetic field is developed. An assumption is made of the conservation of the first two adiabatic invariants where integration is along a field line between mirror points. The averaged motion also involved the parameters defining the magnetic field line to which the particle is attached. Methods involved in obtaining the motion in the equatorial plane of model magnetospheres are based on Hamiltonian functions. The restrictions imposed by the special nature of the dipole field are defined.

Hopping transport in the space-charge region of p-n structures with InGaN/GaN QWs as a source of excess 1/f noise and efficiency droop in LEDs

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

Bochkareva, N. I.; Ivanov, A. M.; Klochkov, A. V.

2015-06-15

It is shown that the emission efficiency and the 1/f noise level in light-emitting diodes with InGaN/GaN quantum wells correlate with how the differential resistance of a diode varies with increasing current. Analysis of the results shows that hopping transport via defect states across the n-type part of the space-charge region results in limitation of the current by the tunneling resistance at intermediate currents and shunting of the n-type barrier at high currents. The increase in the average number of tunneling electrons suppresses the 1/f current noise at intermediate currents. The strong growth in the density of current noise atmore » high currents, S{sub J} ∝ J{sup 3}, is attributed to a decrease in the average number of tunneling electrons as the n-type barrier decreases in height and width with increasing forward bias. The tunneling-recombination leakage current along extended defects grows faster than the tunneling injection current, which leads to emission efficiency droop.« less

Investigation on charge transfer bands of Ce 4+ in Sr 2CeO 4 blue phosphor

NASA Astrophysics Data System (ADS)

Li, Ling; Zhou, Shihong; Zhang, Siyuan

2008-03-01

Bulk and nano-materials Sr2CeO4 were prepared by solid-state reaction and sol-gel technique, respectively. Photoluminescence shows that luminescence has the characteristic of a ligand-to-metal charge transfer (CT) emission. Compared with bulk Sr2CeO4, the nano-material exhibits stronger emission intensity, longer decay time, and higher CT excitation energy. Three CT excitation peaks were observed in both bulk and nano samples. Based on the theoretical calculations of the average energy gap of the chemical bond using the dielectric theory of complex crystal, the highest and the lowest energy CT bands were assigned to the transitions O1 → Ce4+ and O2 → Ce4+, respectively. The middle bands were due to the superposition of the transitions Ce-O1 and Ce-O2.

High cumulants of conserved charges and their statistical uncertainties

NASA Astrophysics Data System (ADS)

Li-Zhu, Chen; Ye-Yin, Zhao; Xue, Pan; Zhi-Ming, Li; Yuan-Fang, Wu

2017-10-01

We study the influence of measured high cumulants of conserved charges on their associated statistical uncertainties in relativistic heavy-ion collisions. With a given number of events, the measured cumulants randomly fluctuate with an approximately normal distribution, while the estimated statistical uncertainties are found to be correlated with corresponding values of the obtained cumulants. Generally, with a given number of events, the larger the cumulants we measure, the larger the statistical uncertainties that are estimated. The error-weighted averaged cumulants are dependent on statistics. Despite this effect, however, it is found that the three sigma rule of thumb is still applicable when the statistics are above one million. Supported by NSFC (11405088, 11521064, 11647093), Major State Basic Research Development Program of China (2014CB845402) and Ministry of Science and Technology (MoST) (2016YFE0104800)

Stability and charge separation of different CH3NH3SnI3/TiO2 interface: A first-principles study

NASA Astrophysics Data System (ADS)

Yang, Zhenzhen; Wang, Yuanxu; Liu, Yunyan

2018-05-01

Interface has an important effect on charge separation of perovskite solar cells. Using first-principles calculations, we studied several different interfaces between CH3NH3SnI3 and TiO2. The interfacial structure and electronic structure of these interfaces are thoroughly explored. We found that the SnI2/anatase (SnI2/A) system is more stable than the other three systems, because an anatase surface can make Snsbnd I bond faster restore to the pristine value than a rutile surface, and SnI2/A system has a smaller standard deviation. The calculated plane-averaged electrostatic potential and the density of states suggest that SnI2/anatase interface has a better separation of photo-generated electron-hole pairs.

Fractional statistics and quantum scaling properties of the integrable Penson-Kolb-Hubbard chain

NASA Astrophysics Data System (ADS)

Vitoriano, Carlindo; Coutinho-Filho, M. D.

2010-09-01

We investigate the ground-state and low-temperature properties of the integrable version of the Penson-Kolb-Hubbard chain. The model obeys fractional statistical properties, which give rise to fractional elementary excitations and manifest differently in the four regions of the phase diagram U/t versus n , where U is the Coulomb coupling, t is the correlated hopping amplitude, and n is the particle density. In fact, we can find local pair formation, fractionalization of the average occupation number per orbital k , or U - and n -dependent average electric charge per orbital k . We also study the scaling behavior near the U -driven quantum phase transitions and characterize their universality classes. Finally, it is shown that in the regime of parameters where local pair formation is energetically more favorable, the ground state exhibits power-law superconductivity; we also stress that above half filling the pair-hopping term stabilizes local Cooper pairs in the repulsive- U regime for U

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.

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.

Measurement of the charged-particle multiplicity inside jets from $$\\sqrt{s}=8$$ $${\\mathrm{TeV}}$$ pp collisions with the ATLAS detector

DOE PAGES

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

2016-06-13

The number of charged particles inside jets is a widely used discriminant for identifying the quark or gluon nature of the initiating parton and is sensitive to both the perturbative and non-perturbative components of fragmentation. This paper presents a measurement of the average number of charged particles with p T > 500 MeV inside high-momentum jets in dijet events using 20.3 fb -1 of data recorded with the ATLAS detector in pp collisions at √s=8 TeV collisions at the LHC. The jets considered have transverse momenta from 50 GeV up to and beyond 1.5 TeV . The reconstructed charged-particle trackmore » multiplicity distribution is unfolded to remove distortions from detector effects and the resulting charged-particle multiplicity is compared to several models. Lastly, quark and gluon jet fractions are used to extract the average charged-particle multiplicity for quark and gluon jets separately.« less

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.

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

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

First Measurement of one Pion Production in Charged Current Neutrino and Antineutrino events on Argon

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

Scanavini, Scanavini,Giacomo

This thesis presents a work done in the context of the Fermilab Neutrino Intensity Frontier. In this analysis, the cross section of single charged pion production in charged-current neutrino and antineutrino interactions with the argon nucleus target are measured. These measurements are performed using the Argon Neutrino Test (ArgoNeuT) detector exposed to the Fermilab Neutrino From The Main Injector (NuMI) beam operating in the low energy antineutrino mode. The signal is a charged-current μ interaction in the detector, with exactly one charged pion exiting the target nucleus, with momentum above 100 MeV/c. There shouldn’t be any 0 or kaons inmore » the final state. There is no restriction on other mesons or nucleons. Total and differential cross section measurements are presented. The results are reported in terms of outgoing muon angle and momentum, outgoing pion angle and angle between outgoing pion and muon. The total cross sections, averaged over the flux, are found to be 8.2 ± 0.9 (stat) +0.9 -1.1 (syst) × 10-38 cm2 per argon nuclei and 2.5 ± 0.4 (stat) ± 0.5 (syst) × 10-37 cm2 per argon nuclei for antineutrino and neutrino respectively at a mean neutrino energy of 3.6 GeV (antineutrinos) and 9.6 GeV (neutrinos). This is the first time the single pion production in charged-current interactions cross section is measured on argon nuclei.« less

Frequency-dependent local field factors in dielectric liquids by a polarizable force field and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof

2015-12-01

A force field model for calculating local field factors, i.e. the linear response of the local electric field for example at a nucleus in a molecule with respect to an applied electric field, is discussed. It is based on a combined charge-transfer and point-dipole interaction model for the polarizability, and thereby it includes two physically distinct terms for describing electronic polarization: changes in atomic charges arising from transfer of charge between the atoms and atomic induced dipole moments. A time dependence is included both for the atomic charges and the atomic dipole moments and if they are assumed to oscillate with the same frequency as the applied electric field, a model for frequency-dependent properties are obtained. Furthermore, if a life-time of excited states are included, a model for the complex frequency-dependent polariability is obtained including also information about excited states and the absorption spectrum. We thus present a model for the frequency-dependent local field factors through the first molecular excitation energy. It is combined with molecular dynamics simulations of liquids where a large set of configurations are sampled and for which local field factors are calculated. We are normally not interested in the average of the local field factor but rather in configurations where it is as high as possible. In electrical insulation, we would like to avoid high local field factors to reduce the risk for electrical breakdown, whereas for example in surface-enhanced Raman spectroscopy, high local field factors are desired to give dramatically increased intensities.

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

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2016-02-09

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

Non-equilibrium steady states in the Klein-Gordon theory

NASA Astrophysics Data System (ADS)

Doyon, Benjamin; Lucas, Andrew; Schalm, Koenraad; Bhaseen, M. J.

2015-03-01

We construct non-equilibrium steady states in the Klein-Gordon theory in arbitrary space dimension d following a local quench. We consider the approach where two independently thermalized semi-infinite systems, with temperatures {{T}L} and {{T}R}, are connected along a d-1-dimensional hypersurface. A current-carrying steady state, described by thermally distributed modes with temperatures {{T}L} and {{T}R} for left and right-moving modes, respectively, emerges at late times. The non-equilibrium density matrix is the exponential of a non-local conserved charge. We obtain exact results for the average energy current and the complete distribution of energy current fluctuations. The latter shows that the long-time energy transfer can be described by a continuum of independent Poisson processes, for which we provide the exact weights. We further describe the full time evolution of local observables following the quench. Averages of generic local observables, including the stress-energy tensor, approach the steady state with a power-law in time, where the exponent depends on the initial conditions at the connection hypersurface. We describe boundary conditions and special operators for which the steady state is reached instantaneously on the connection hypersurface. A semiclassical analysis of freely propagating modes yields the average energy current at large distances and late times. We conclude by comparing and contrasting our findings with results for interacting theories and provide an estimate for the timescale governing the crossover to hydrodynamics. As a modification of our Klein-Gordon analysis we also include exact results for free Dirac fermions.

When can time-dependent currents be reproduced by the Landauer steady-state approximation?

NASA Astrophysics Data System (ADS)

Carey, Rachel; Chen, Liping; Gu, Bing; Franco, Ignacio

2017-05-01

We establish well-defined limits in which the time-dependent electronic currents across a molecular junction subject to a fluctuating environment can be quantitatively captured via the Landauer steady-state approximation. For this, we calculate the exact time-dependent non-equilibrium Green's function (TD-NEGF) current along a model two-site molecular junction, in which the site energies are subject to correlated noise, and contrast it with that obtained from the Landauer approach. The ability of the steady-state approximation to capture the TD-NEGF behavior at each instant of time is quantified via the same-time correlation function of the currents obtained from the two methods, while their global agreement is quantified by examining differences in the average currents. The Landauer steady-state approach is found to be a useful approximation when (i) the fluctuations do not disrupt the degree of delocalization of the molecular eigenstates responsible for transport and (ii) the characteristic time for charge exchange between the molecule and leads is fast with respect to the molecular correlation time. For resonant transport, when these conditions are satisfied, the Landauer approach is found to accurately describe the current, both on average and at each instant of time. For non-resonant transport, we find that while the steady-state approach fails to capture the time-dependent transport at each instant of time, it still provides a good approximation to the average currents. These criteria can be employed to adopt effective modeling strategies for transport through molecular junctions in interaction with a fluctuating environment, as is necessary to describe experiments.

A concise way to estimate the average density of interface states in an ITO-SiOx/n-Si heterojunction solar cell

NASA Astrophysics Data System (ADS)

Li, Y.; Han, B. C.; Gao, M.; Wan, Y. Z.; Yang, J.; Du, H. W.; Ma, Z. Q.

2017-09-01

On the basis of a photon-assisted high frequency capacitance-voltage (C-V) method (1 MHz C-V), an effective approach is developed to evaluate the average interface state density (Dit) of an ITO-SiOx/n-Si heterojunction structure. Tin-doped indium oxide (ITO) films with different thicknesses were directly deposited on (100) n-type crystalline silicon by magnetron sputtering to fabricate semiconductor-insulator-semiconductor (SIS) hetero-interface regions where an ultra-thin SiOx passivation layer was naturally created. The morphology of the SiOx layer was confirmed by X-ray photoelectron spectroscopy depth profiling and transmission electron microscope analysis. The thinness of this SiOx layer was the main reason for the SIS interface state density being more difficult to detect than that of a typical metal-oxide-semiconductor structure. A light was used for photon injection while measuring the C-V of the device, thus enabling the photon-assisted C-V measurement of the Dit. By quantifying decreases of the light-induced-voltage as a variation of the capacitance caused by parasitic charge at interface states the passivation quality within the interface of ITO-SiOx/n-Si could be reasonably evaluated. The average interface state density of these SIS devices was measured as 1.2-1.7 × 1011 eV-1 cm-2 and declined as the passivation layer was made thicker. The lifetime of the minority carriers, dark leakage current, and the other photovoltaic parameters of the devices were also used to determine the passivation.

Long-Term Youth Criminal Outcomes in MST Transport: The Impact of Therapist Adherence and Organizational Climate and Structure

PubMed Central

Schoenwald, Sonja K.; Chapman, Jason E.; Sheidow, Ashli J.; Carter, Rickey E.

2010-01-01

The current study investigated relations among therapist adherence to an evidence-based treatment for youth with serious antisocial behavior (i.e., Multisystemic Therapy), organizational climate and structure, and youth criminal charges on average 4 years post-treatment. Participants were 1979 youth and families treated by 429 therapists across 45 provider organizations. Results showed therapist adherence predicted significantly lower rates of youth criminal charges independently and in the presence of organizational variables. Therapist perceptions of job satisfaction and opportunities for growth and advancement relative to the organizational average predicted youth criminal charges, as did organizational average levels of participation in decision-making. These associations washed out in the presence of adherence, despite the fact that job satisfaction and growth and advancement were associated with adherence. PMID:19130360

Bulk lifetime characterization of corona charged silicon wafers with high resistivity by means of microwave detected photoconductivity

NASA Astrophysics Data System (ADS)

Engst, C. R.; Rommel, M.; Bscheid, C.; Eisele, I.; Kutter, C.

2017-12-01

Minority carrier lifetime (lifetime) measurements are performed on corona-charged silicon wafers by means of Microwave Detected Photoconductivity (MDP). The corona charge is deposited on the front and back sides of oxidized wafers in order to adjust accumulation conditions. Once accumulation is established, interface recombination is suppressed and bulk lifetimes are obtained. Neither contacts nor non-CMOS compatible preparation techniques are required in order to achieve accumulation conditions, which makes the method ideally suited for inline characterization. The novel approach, termed ChargedMDP (CMDP), is used to investigate neutron transmutation doped (NTD) float zone silicon with resistivities ranging from 6.0 to 8.2 kΩ cm. The bulk properties of 150 mm NTD wafers are analyzed in detail by performing measurements of the carrier lifetime and the steady-state photoconductivity at various injection levels. The results are compared with MDP measurements of uncharged wafers as well as to the established charged microwave detected Photoconductance Decay (charge-PCD) method. Besides analyzing whole wafers, CMDP measurements are performed on oxide test-structures on a patterned wafer. Finally, the oxide properties are characterized by means of charge-PCD as well as capacitance-voltage measurements. With CMDP, average bulk lifetimes up to 33.1 ms are measured, whereby significant variations are observed among wafers, which are produced out of the same ingot but oxidized in different furnaces. The observed lifetime variations are assumed to be caused by contaminations, which are introduced during the oxidation process. The results obtained by CMDP were neither accessible by means of conventional MDP measurements of uncharged wafers nor with the established charge-PCD method.

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

An Anomalous Composition in Slow Solar Wind as a Signature of Magnetic Reconnection in its Source Region

NASA Astrophysics Data System (ADS)

Zhao, L.; Landi, E.; Lepri, S. T.; Kocher, M.; Zurbuchen, T. H.; Fisk, L. A.; Raines, J. M.

2017-01-01

In this paper, we study a subset of slow solar winds characterized by an anomalous charge state composition and ion temperatures compared to average solar wind distributions, and thus referred to as an “Outlier” wind. We find that although this wind is slower and denser than normal slow wind, it is accelerated from the same source regions (active regions and quiet-Sun regions) as the latter and its occurrence rate depends on the solar cycle. The defining property of the Outlier wind is that its charge state composition is the same as that of normal slow wind, with the only exception being a very large decrease in the abundance of fully charged species (He2+, C6+, N7+, O8+, Mg12+), resulting in a significant depletion of the He and C element abundances. Based on these observations, we suggest three possible scenarios for the origin of this wind: (1) local magnetic waves preferentially accelerating non-fully stripped ions over fully stripped ions from a loop opened by reconnection; (2) depleted fully stripped ions already contained in the corona magnetic loops before they are opened up by reconnection; or (3) fully stripped ions depleted by Coulomb collision after magnetic reconnection in the solar corona. If any one of these three scenarios is confirmed, the Outlier wind represents a direct signature of slow wind release through magnetic reconnection.

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

Zhao, L.; Landi, E.; Lepri, S. T.

In this paper, we study a subset of slow solar winds characterized by an anomalous charge state composition and ion temperatures compared to average solar wind distributions, and thus referred to as an “Outlier” wind. We find that although this wind is slower and denser than normal slow wind, it is accelerated from the same source regions (active regions and quiet-Sun regions) as the latter and its occurrence rate depends on the solar cycle. The defining property of the Outlier wind is that its charge state composition is the same as that of normal slow wind, with the only exceptionmore » being a very large decrease in the abundance of fully charged species (He{sup 2+}, C{sup 6+}, N{sup 7+}, O{sup 8+}, Mg{sup 12+}), resulting in a significant depletion of the He and C element abundances. Based on these observations, we suggest three possible scenarios for the origin of this wind: (1) local magnetic waves preferentially accelerating non-fully stripped ions over fully stripped ions from a loop opened by reconnection; (2) depleted fully stripped ions already contained in the corona magnetic loops before they are opened up by reconnection; or (3) fully stripped ions depleted by Coulomb collision after magnetic reconnection in the solar corona. If any one of these three scenarios is confirmed, the Outlier wind represents a direct signature of slow wind release through magnetic reconnection.« less

Event-shape engineering for inclusive spectra and elliptic flow in Pb-Pb collisions at √{sNN}=2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Almaraz, J. R. M.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blair, J. T.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Chunhui, Z.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; di Bari, D.; di Mauro, A.; di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacobs, P. M.; Jadlovska, S.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Mohisin Khan, M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kumar, A.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lehas, F.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Luz, P. H. F. N. D.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Masui, H.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; McDonald, D.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moreira de Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papcun, P.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Peitzmann, T.; Pereira da Costa, H.; Pereira de Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, M.; Sharma, M.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yang, H.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.; Alice Collaboration

2016-03-01

We report on results obtained with the event-shape engineering technique applied to Pb-Pb collisions at √{sNN}=2.76 TeV. By selecting events in the same centrality interval, but with very different average flow, different initial-state conditions can be studied. We find the effect of the event-shape selection on the elliptic flow coefficient v2 to be almost independent of transverse momentum pT, which is as expected if this effect is attributable to fluctuations in the initial geometry of the system. Charged-hadron, -pion, -kaon, and -proton transverse momentum distributions are found to be harder in events with higher-than-average elliptic flow, indicating an interplay between radial and elliptic flow.

Cooper pair tunnelling and quasiparticle poisoning in a galvanically isolated superconducting double dot

NASA Astrophysics Data System (ADS)

Esmail, A. A.; Ferguson, A. J.; Lambert, N. J.

2017-12-01

We increase the isolation of a superconducting double dot from its environment by galvanically isolating it from any electrodes. We probe it using high frequency reflectometry techniques, find 2e-periodic behaviour, and characterise the energy structure of its charge states. By modelling the response of the device, we determine the time averaged probability that the device is poisoned by quasiparticles, and by comparing this with previous work, we conclude that quasiparticle exchange between the dots and the leads is an important relaxation mechanism.

Chopper-controlled discharge life cycling studies on lead-acid batteries

NASA Technical Reports Server (NTRS)

Kraml, J. J.; Ames, E. P.

1982-01-01

State-of-the-art 6 volt lead-acid golf car batteries were tested. A daily charge/discharge cycling to failure points under various chopper controlled pulsed dc and continuous current load conditions was undertaken. The cycle life and failure modes were investigated for depth of discharge, average current chopper frequency, and chopper duty cycle. It is shown that battery life is primarily and inversely related to depth of discharge and discharge current. Failure mode is characterized by a gradual capacity loss with consistent evidence of cell element aging.

Workshop on New Directions in Solid State Power Switches Held at Farmingdale, New York on 28-30 August 1985.

DTIC Science & Technology

1985-12-24

of transitors . Using the data for these parameters, Johnson’s "figure of • merit" shows 8-SiC to be more than three orders of magnitude better than Si...34’ .- ompound may be statistically distributed in the lat- ./0 1N -lce taking an averaged structure. X-ray diffraction.-The results of the x-ray diffrac- 0...excitons, which are not electriclaly conducting because they have no net charge. Since the statistical factors favoring exciton formation go as the

[Impact of Morbidity on Health Care Costs of a Department of Health through Clinical Risk Groups. Valencian Community, Spain].

PubMed

Caballer Tarazona, Vicent; Guadalajara Olmeda, Natividad; Vivas Consuelo, David; Clemente Collado, Antonio

2016-06-08

Risk adjustment systems based on diagnosis stratify the population according to the observed morbidity. The aim of this study was to analyze the total health expenditure in a health area, relating to age, gender and morbidity observed in the population. Observational cross-sectional study of population and area of health care costs in the Health District of Denia-Marina Salud (Alicante) in 2013. Population (N=156,811) were stratified by Clinical Risk Groups into 9 states of health, state 1 being healthy, and state 9 the highest disease burden. Each inhabitant was charged with the hospital costs, primary care and outpatient pharmacy to obtain the total costs. Health status and severity by age and gender, as well as the costs of each group were analysed. The statistical tests, student t and χ2 were applied to verify the existence of significant differences between and intra groups. The average cost per inhabitant was 983 euros which increased from 240 euros to 42,881 at the state 9 and severity level 6. Patients of health states 5 and 6 caused the largest expenditure by concentration of the population, but health states 8 and 9 had the highest average expenditure, with 80% of hospitalised cost. A different composition of health expenditure per individual morbidity was corroborated, with an exponential growth in hospital spending.

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.

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.

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.

Manipulating quantum coherence of charge states in interacting double-dot Aharonov–Bohm interferometers

NASA Astrophysics Data System (ADS)

Jin, Jinshuang; Wang, Shikuan; Zhou, Jiahuan; Zhang, Wei-Min; Yan, YiJing

2018-04-01

We investigate the dynamics of charge-state coherence in a degenerate double-dot Aharonov–Bohm interferometer with finite inter-dot Coulomb interactions. The quantum coherence of the charge states is found to be sensitive to the transport setup configurations, involving both the single-electron impurity channels and the Coulomb-assisted ones. We numerically demonstrate the emergence of a complete coherence between the two charge states, with the relative phase being continuously controllable through the magnetic flux. Interestingly, a fully coherent charge qubit arises at the double-dots electron pair tunneling resonance condition, where the chemical potential of one electrode is tuned at the center between a single-electron impurity channel and the related Coulomb-assisted channel. This pure quantum state of charge qubit could be experimentally realized at the current–voltage characteristic turnover position, where differential conductance sign changes. We further elaborate the underlying mechanism for both the real-time and the stationary charge-states coherence in the double-dot systems of study.

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

Changes in average length of stay and average charges generated following institution of PSRO review.

PubMed Central

Westphal, M; Frazier, E; Miller, M C

1979-01-01

A five-year review of accounting data at a university hospital shows that immediately following institution of concurrent PSRO admission and length of stay review of Medicare-Medicaid patients, there was a significant decrease in length of stay and a fall in average charges generated per patient against the inflationary trend. Similar changes did not occur for the non-Medicare-Medicaid patients who were not reviewed. The observed changes occurred even though the review procedure rarely resulted in the denial of services to patients, suggesting an indirect effect of review. PMID:393658

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.

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

PubMed Central

Onufriev, Alexey V.

2013-01-01

We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA) retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance the extent of the charge distribution–the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom), is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å ) is half that of the point multipole expansion up to the octupole order. PMID:23861790

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.

A first-principles study on adsorption behaviors of pristine and Li-decorated graphene sheets toward hydrazine molecules

NASA Astrophysics Data System (ADS)

Zeng, Huadong; Cheng, Xinlu; Wang, Wei

2018-03-01

The adsorption behaviors and properties of hydrazine (N2H4) molecules on pristine and Li-decorated graphene sheets were investigated by means of first-principles based on density functional theory. We systematically analyzed the optimal geometry, average binding energy, charge transfer, charge density difference and density of states of N2H4 molecules adsorbed on pristine and Li-decorated graphene sheets. It is found that the interaction between single N2H4 molecule and pristine graphene is weak physisorption with the low binding energy of -0.026 eV, suggesting that the pristine graphene sheet is insensitive to the presence of N2H4 molecule. However, it is markedly enhanced after lithium decoration with the high binding energy of -1.004 eV, verifying that the Li-decorated graphene sheet is significantly sensitive to detect N2H4 molecule. Meanwhile, the effects of the concentrations of N2H4 molecules on two different substrates were studied detailedly. For pristine graphene substrate, the average binding energy augments apparently with increasing the number of N2H4 molecules, which is mainly attributed to the van der Waals interactions and hydrogen bonds among N2H4 clusters. Li-decorated graphene sheet has still a strong affinity to N2H4 molecules despite the corresponding average binding energy emerges a contrary tendency. Overall, Li-decorated graphene sheet could be considered as a potential gas sensor in field of hydrazine molecules.

Liquid Drop Model for Charged Spherical Metal Clusters

NASA Astrophysics Data System (ADS)

Seidl, M.; Brack, M.

1996-02-01

The average ground-state energy of a charged spherical metal cluster withNatoms andzexcessive valence electrons, i.e., with net chargeQ=-ezand radiusR=rsN1/3, is presented in the liquid drop model (LDM) expansionE(N, z)=avN+asN2/3+acN1/3+a0(z)+a-1(z) N-1/3+O(N-2/3). We derive analytical expressions for the leading LDM coefficientsav,as,ac, and, in particular, for the charge dependence of the further LDM coefficientsa0anda-1, using the jellium model and density functional theory in the local density approximation. We obtain for the ionization energyI(R)=W+α(e2/R)+O(R-2), with the bulk work functionW=[Φ(+∞)-Φ(0)]-eb, given first by Mahan and Schaich in terms of the electrostatic potentialΦand the bulk energy per electroneb, and a new analytical expression for the dimensionless coefficientα. We demonstrate that within classical theoryα={1}/{2} but, in agreement with experimental information,αtends to ∼0.4 if quantum-mechanical contributions are included. In order to test and confirm our analytical expressions, we discuss the numerical results of semiclassical density variational calculations in the extended Thomas-Fermi model.

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

Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei

A new polymorph of the RE 2Ru 3Ge 5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc 2Fe 3Si 5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge densitymore » wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm 2Ru 3Ge 5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (T CDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.« less

In-situ time-of-flight neutron diffraction study of the structure evolution of electrode materials in a commercial battery with LiNi0.8Co0.15Al0.05O2 cathode

NASA Astrophysics Data System (ADS)

Bobrikov, I. A.; Samoylova, N. Yu.; Sumnikov, S. V.; Ivanshina, O. Yu.; Vasin, R. N.; Beskrovnyi, A. I.; Balagurov, A. M.

2017-12-01

A commercial lithium-ion battery with LiNi0.8Co0.15Al0.05O2 (NCA) cathode has been studied in situ using high-intensity and high-resolution neutron diffraction. Structure and phase composition of the battery electrodes have been probed during charge-discharge in different cycling modes. The dependence of the anode composition on the charge rate has been determined quantitatively. Different kinetics of Li (de)intercalation in the graphite anode during charge/discharge process have been observed. Phase separation of the cathode material has not been detected in whole voltage range. Non-linear dependencies of the unit cell parameters, atomic and layer spacing on the lithium content in the cathode have been observed. Measured dependencies of interatomic spacing and interlayer spacing, and unit cell parameters of the cathode structure on the lithium content could be qualitatively explained by several factors, such as variations of oxidation state of cation in oxygen octahedra, Coulomb repulsion of oxygen layers, changes of average effective charge of oxygen layers and van der Waals interactions between MeO2-layers at high level of the NCA delithiation.

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.

The electrostatics of a dusty plasma

NASA Technical Reports Server (NTRS)

Whipple, E. C.; Mendis, D. A.; Northrop, T. G.

1986-01-01

The potential distribution in a plasma containing dust grains were derived where the Debye length can be larger or smaller than the average intergrain spacing. Three models were treated for the grain-plasma system, with the assumption that the system of dust and plasma is charge-neutral: a permeable grain model, an impermeable grain model, and a capacitor model that does not require the nearest neighbor approximation of the other two models. A gauge-invariant form of Poisson's equation was used which is linearized about the average potential in the system. The charging currents to a grain are functions of the difference between the grain potential and this average potential. Expressions were obtained for the equilibrium potential of the grain and for the gauge-invariant capacitance between the grain and the plasma. The charge on a grain is determined by the product of this capacitance and the grain-plasma potential difference.

Silicon anode for rechargeable aqueous lithium-air batteries

NASA Astrophysics Data System (ADS)

Teranishi, R.; Si, Q.; Mizukoshi, F.; Kawakubo, M.; Matsui, M.; Takeda, Y.; Yamamoto, O.; Imanishi, N.

2015-01-01

A novel aqueous lithium-air rechargeable cell with the configuration of Si/1 M LiClO4 in ethylene carbonate-diethylene carbonate/Li1+x+yAlx(Ti,Ge)2-xP3-ySiyO12/5 M LiCl-1 M LiOH aqueous solution/carbon black, air is proposed. A silicon anode composed of mechanically milled silicon power with an average particle size of ca. 0.5 μm, vapor grown carbon fiber and a polyimide binder was examined. The open-circuit voltage at the charged state was 2.9 V at 25 °C. The discharge capacity of 700 mAh g-silicon-1 was retained for 40 cycles at 0.3 mA cm-2 with cut-off voltages of 3.5 and 1.5 V. Significant capacity fade was observed at deep charge and discharge cycling at 2000 mAh g-silicon-1.

Impact of Rate Design Alternatives on Residential Solar Customer Bills. Increased Fixed Charges, Minimum Bills and Demand-based Rates

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

Bird, Lori; Davidson, Carolyn; McLaren, Joyce

With rapid growth in energy efficiency and distributed generation, electric utilities are anticipating stagnant or decreasing electricity sales, particularly in the residential sector. Utilities are increasingly considering alternative rates structures that are designed to recover fixed costs from residential solar photovoltaic (PV) customers with low net electricity consumption. Proposed structures have included fixed charge increases, minimum bills, and increasingly, demand rates - for net metered customers and all customers. This study examines the electricity bill implications of various residential rate alternatives for multiple locations within the United States. For the locations analyzed, the results suggest that residential PV customers offset,more » on average, between 60% and 99% of their annual load. However, roughly 65% of a typical customer's electricity demand is non-coincidental with PV generation, so the typical PV customer is generally highly reliant on the grid for pooling services.« less

Effects of charge inhomogeneities on elementary excitations in La 2-xSr xCuO₄

DOE PAGES

Park, S. R.; Hamann, A.; Pintschovius, L.; ...

2011-12-12

Purely local experimental probes of many copper oxide superconductors show that their electronic states are inhomogeneous in real space. For example, scanning tunneling spectroscopic imaging shows strong variations in real space, and according to nuclear quadrupole resonance (NQR) studies, the charge distribution in the bulk varies on the nanoscale. However, the analysis of the experimental results utilizing spatially averaged probes often ignores this fact. We have performed a detailed investigation of the doping dependence of the energy and linewidth of the zone-boundary Cu-O bond-stretching vibration in La 2-xSr xCuO₄ by inelastic neutron scattering. Both our results as well as previouslymore » reported angle-dependent momentum widths of the electronic spectral function detected by angle-resolved photoemission can be reproduced by including the same distribution of local environments extracted from the NQR analysis.« less

Electron beam emission from a diamond-amplifier cathode.

PubMed

Chang, Xiangyun; Wu, Qiong; Ben-Zvi, Ilan; Burrill, Andrew; Kewisch, Jorg; Rao, Triveni; Smedley, John; Wang, Erdong; Muller, Erik M; Busby, Richard; Dimitrov, Dimitre

2010-10-15

The diamond amplifier (DA) is a new device for generating high-current, high-brightness electron beams. Our transmission-mode tests show that, with single-crystal, high-purity diamonds, the peak current density is greater than 400  mA/mm², while its average density can be more than 100  mA/mm². The gain of the primary electrons easily exceeds 200, and is independent of their density within the practical range of DA applications. We observed the electron emission. The maximum emission gain measured was 40, and the bunch charge was 50  pC/0.5  mm². There was a 35% probability of the emission of an electron from the hydrogenated surface in our tests. We identified a mechanism of slow charging of the diamond due to thermal ionization of surface states that cancels the applied field within it. We also demonstrated that a hydrogenated diamond is extremely robust.

Nursing cost by DRG: nursing intensity weights.

PubMed

Knauf, Robert A; Ballard, Karen; Mossman, Philip N; Lichtig, Leo K

2006-11-01

Although diagnosis-related group (DRG) reimbursement is used for Medicare and many other payors, nursing--the largest portion of hospital costs--is not specifically identified and quantified in deriving payments in any of the DRG reimbursement systems except that of New York State. In New York, nursing costs are allocated to each DRG in payment rate formulation by means of nursing intensity weights (NIWs)--relative values reflecting the quantity and types of nursing services provided to patients in each DRG. In the absence of charges for nursing services, these NIWs are derived from scores for each DRG provided by a representative panel of nurses through a modified Delphi technique. NIWs have been shown to correlate with hospitals' nursing costs per day. They are used to set cost-based payment weights, thereby avoiding compression caused by using flat cost-to-charge or cost-per-day averages for all acute and intensive care patients.

Silver manganese oxide electrodes for lithium batteries

DOEpatents

Thackeray, Michael M.; Vaughey, John T.; Dees, Dennis W.

2006-05-09

This invention relates to electrodes for non-aqueous lithium cells and batteries with silver manganese oxide positive electrodes, denoted Ag_xMnO_y, in which x and y are such that the manganese ions in the charged or partially charged electrodes cells have an average oxidation state greater than 3.5. The silver manganese oxide electrodes optionally contain silver powder and/or silver foil to assist in current collection at the electrodes and to improve the power capability of the cells or batteries. The invention relates also to a method for preparing Ag_xMnO_y electrodes by decomposition of a permanganate salt, such as AgMnO₄, or by the decomposition of KMnO₄ or LiMnO₄ in the presence of a silver salt.

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

Soft x-ray absorption spectroscopy study of the electronic structures of the MnFe Prussian blue analogs (RbxBay) Mn[3 -(x +2 y )]/2[Fe (CN) 6] H2O

NASA Astrophysics Data System (ADS)

Lee, Eunsook; Seong, Seungho; Kim, Hyun Woo; Kim, D. H.; Thakur, Nidhi; Yusuf, S. M.; Kim, Bongjae; Min, B. I.; Kim, Younghak; Kim, J.-Y.; de Groot, F. M. F.; Kang, J.-S.

2017-11-01

The electronic structures of Prussian blue analog (RbxBay) Mn[3 -(x +2 y )]/2[Fe (CN) 6] cyanides have been investigated by employing soft x-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) at the Fe and Mn L (2 p ) edges. The measured XAS spectra have been analyzed with the configuration-interaction (CI) cluster model calculations. The valence states of the Fe and Mn ions are found to be Fe2 +-Fe3 + mixed valent, with an average valency of v (Fe )˜2.8 and nearly divalent (Mn2 +), respectively. Our Mn/Fe 2 p XMCD study supports that Mn2 + ions are in the high-spin states while Fe2 +-Fe3 + ions are in the low-spin states. The Fe and Mn 2 p XAS spectra are found to be essentially the same for 80 ≤T ≤ 300 K, suggesting that a simple charge transfer upon cooling from Fe3 +-CN -Mn2 + to Fe2 +-CN -Mn3 + does not occur in (RbxBay) Mn[3 -(x +2 y )]/2[Fe (CN) 6] . According to the CI cluster model analysis, it is necessary to take into account both the ligand-to-metal charge transfer and the metal-to-ligand charge transfer in describing Fe 2 p XAS, while the effect of charge transfer is negligible in describing Mn 2 p XAS. The CI cluster model analysis also shows that the trivalent Fe3 + ions have a strong covalent bonding with the C ≡N ligands and are under a large crystal-field energy of 10 D q ˜3 eV, in contrast to the weak covalency effect and a small 10 D q ˜0.6 eV for the divalent Mn2 + ions.

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.

Structural changes upon excitation of D1-D2-Cyt b559 photosystem II reaction centers depend on the beta-carotene content.

PubMed

Losi, Aba; Yruela, Inmaculada; Reus, Michael; Holzwarth, Alfred R; Braslavsky, Silvia E

2003-07-01

Different preparations of D1-D2-Cyt b559 complexes from spinach with different beta-carotene (Car) content [on average from <0.5 to 2 per reaction center (RC)] were studied by means of laser-induced optoacoustic spectroscopy. phiP680(+)Pheo(-) does not depend on the preparation (or on the Car content) inasmuch as the magnitude of the prompt heat (produced within 20 ns) does not vary for the different samples upon excitation at 675 and 620 nm. The energy level of the primary charge-separated state, P680(+)Pheo(-), was determined as EP680(+)Pheo(-) = 1.55 eV. Thus, an enthalpy change accompanying charge separation from excited P680 of deltaH*P680Pheo-->P680(+)Pheo(-) = -0.27 eV is obtained. Calculations using the heat evolved during the time-resolved decay of P680(+)Pheo(-) (< or = 100 ns) affords a triplet (3[P680Pheo]) quantum yield phi3[P680Pheo] = 0.5 +/- 0.14. The structural volume change, deltaV1, corresponding to the formation of P680(+)Pheo(-), strongly depends on the Car content; it is ca. -2.5 A3 molecule(-1) for samples with <0.5 Car on average, decreases (in absolute value) to -0.5 +/- 0.2 A3 for samples with an average of 1 Car, and remains the same for samples with two Cars per RC. This suggests that the Car molecules induce changes in the ground-state RC conformation, an idea which was confirmed by preferential excitation of Car with blue light, which produced different carotene triplet lifetimes in samples with 2 Car compared to those containing less carotene. We conclude that the two beta-carotenes are not structurally equivalent. Upon blue-light excitation (480 nm, preferential carotene absorption) the fraction of energy stored is ca. 60% for the 9Chl-2Car sample, whereas it is 40% for the preparations with one or less Cars on average, indicating different paths of energy distribution after Car excitation in these RCs with remaining chlorophyll antennae.

Altering surface charge nonuniformity on individual colloidal particles.

PubMed

Feick, Jason D; Chukwumah, Nkiru; Noel, Alexandra E; Velegol, Darrell

2004-04-13

Charge nonuniformity (sigmazeta) was altered on individual polystyrene latex particles and measured using the novel experimental technique of rotational electrophoresis. It has recently been shown that unaltered sulfated latices often have significant charge nonuniformity (sigmazeta = 100 mV) on individual particles. Here it is shown that anionic polyelectrolytes and surfactants reduce the native charge nonuniformity on negatively charged particles by 80% (sigmazeta = 20 mV), even while leaving the average surface charge density almost unchanged. Reduction of charge uniformity occurs as large domains of nonuniformity are minimized, giving a more random distribution of charge on individual particle surfaces. Targeted reduction of charge nonuniformity opens new opportunities for the dispersion of nanoparticles and the oriented assembly of particles.

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.

Early-stage aggregation in three-dimensional charged granular gas.

PubMed

Singh, Chamkor; Mazza, Marco G

2018-02-01

Neutral grains made of the same dielectric material can attain considerable charges due to collisions and generate long-range interactions. We perform molecular dynamic simulations in three dimensions for a dilute, freely cooling granular gas of viscoelastic particles that exchange charges during collisions. As compared to the case of clustering of viscoelastic particles solely due to dissipation, we find that the electrostatic interactions due to collisional charging alter the characteristic size, morphology, and growth rate of the clusters. The average cluster size grows with time as a power law, whose exponent is relatively larger in the charged gas than the neutral case. The growth of the average cluster size is found to be independent of the ratio of characteristic Coulomb to kinetic energy, or equivalently, of the typical Bjerrum length. However, this ratio alters the crossover time of the growth. Both simulations and mean-field calculations based on Smoluchowski's equation suggest that a suppression of particle diffusion due to the electrostatic interactions helps in the aggregation process.

Early-stage aggregation in three-dimensional charged granular gas

NASA Astrophysics Data System (ADS)

Singh, Chamkor; Mazza, Marco G.

2018-02-01

Neutral grains made of the same dielectric material can attain considerable charges due to collisions and generate long-range interactions. We perform molecular dynamic simulations in three dimensions for a dilute, freely cooling granular gas of viscoelastic particles that exchange charges during collisions. As compared to the case of clustering of viscoelastic particles solely due to dissipation, we find that the electrostatic interactions due to collisional charging alter the characteristic size, morphology, and growth rate of the clusters. The average cluster size grows with time as a power law, whose exponent is relatively larger in the charged gas than the neutral case. The growth of the average cluster size is found to be independent of the ratio of characteristic Coulomb to kinetic energy, or equivalently, of the typical Bjerrum length. However, this ratio alters the crossover time of the growth. Both simulations and mean-field calculations based on Smoluchowski's equation suggest that a suppression of particle diffusion due to the electrostatic interactions helps in the aggregation process.

[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.

Measurement of jet charge in dijet events from $$\\sqrt{s}$$ = 8 TeV $pp$ collisions with the ATLAS detector

DOE PAGES

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

2016-03-02

In this study, the momentum-weighted sum of the charges of tracks associated to a jet is sensitive to the charge of the initiating quark or gluon. This paper presents a measurement of the distribution of momentum-weighted sums, called jet charge, in dijet events using 20.3 fb -1 of data recorded with the ATLAS detector at √s = 8 TeV in pp collisions at the LHC. The jet charge distribution is unfolded to remove distortions from detector effects and the resulting particle-level distribution is compared with several models. The p T dependence of the jet charge distribution average and standard deviationmore » are compared to predictions obtained with several leading-order and next-to-leading-order parton distribution functions. The data are also compared to different Monte Carlo simulations of QCD dijet production using various settings of the free parameters within these models. The chosen value of the strong coupling constant used to calculate gluon radiation is found to have a significant impact on the predicted jet charge. There is evidence for a p T dependence of the jet charge distribution for a given jet flavor. In agreement with perturbative QCD predictions, the data show that the average jet charge of quark-initiated jets decreases in magnitude as the energy of the jet increases.« less

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

A modeling study of the time-averaged electric currents in the vicinity of isolated thunderstorms

NASA Technical Reports Server (NTRS)

Driscoll, Kevin T.; Blakeslee, Richard J.; Baginski, Michael E.

1992-01-01

A thorough examination of the results of a time-dependent computer model of a dipole thunderstorm revealed that there are numerous similarities between the time-averaged electrical properties and the steady-state properties of an active thunderstorm. Thus, the electrical behavior of the atmosphere in the vicinity of a thunderstorm can be determined with a formulation similar to what was first described by Holzer and Saxon (1952). From the Maxwell continuity equation of electric current, a simple analytical equation was derived that expresses a thunderstorm's average current contribution to the global electric circuit in terms of the generator current within the thundercloud, the intracloud lightning current, the cloud-to-ground lightning current, the altitudes of the charge centers, and the conductivity profile of the atmosphere. This equation was found to be nearly as accurate as the more computationally expensive numerical model, even when it is applied to a thunderstorm with a reduced conductivity thundercloud, a time-varying generator current, a varying flash rate, and a changing lightning mix.

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.

The use and misuse of mass distributed free insecticide-treated bed nets in a semi-urban community in Rivers State, Nigeria.

PubMed

Ordinioha, Best

2012-01-01

Insecticide-treated bed net (ITN) is currently distributed free of charge to vulnerable groups in Nigeria, for malaria control. Consistent use of the nets is required for maximum effectiveness; but studies indicate that the nets are often jettisoned in periods of low mosquito activity and high night time temperature. The objective of this study has been to assess the use of mass distributed nets in a semi-urban community in Rivers State, south-south Nigeria, during the late dry season, when mosquito activity is at the lowest in the community. The study was carried out in Ishiodu - Emohua, using a cross-sectional study design. The data was collected using a structured, interviewer-administered questionnaire, administered to female head of households in the community, with under-five children. A total of 170 respondents were studied; they had an average age of 34.3 ± 7.6 years, most were married (86.5%), and had secondary school education (68.2%). All the households owned at least one ITN, and an average of 1.7 nets, with 75.3% of the households owning two or more ITNs. Almost all the nets (99.4%) were obtained free of charge. Of the 170 households that received the nets, 71.8% had hanged the nets as at the time of the survey; 83.6% of these hanged the nets over a bed, while 10.7% used the nets as window curtain. Of the 102 ITNs that were properly deployed, only 27.5% were occupied the night before the survey, by an average of 2.5 persons, mainly under-five children (37.7%). The distribution of free ITNs has resulted in universal household ownership, but the use of the nets is still very poor. Proper health education is required to encourage the consistent use of the nets, even in hot night, with low mosquito activity.

Action of polysaccharides of similar average mass but differing molecular volume and charge on fluid drainage through synovial interstitium in rabbit knees

PubMed Central

Scott, D; Coleman, P J; Mason, R M; Levick, J R

2000-01-01

Hyaluronan (HA), an anionic polysaccharide of synovial fluid, attenuates fluid loss from joints as joint pressure is raised (‘outflow buffering’). The buffering is thought to depend on the expanded molecular domain of the polymer, which causes reflection by synovial extracellular matrix, leading to flow-dependent concentration polarization. We therefore assessed the effects of polysaccharides of differing average molecular volume and charge. Trans-synovial fluid drainage(Q̇s) was measured at controlled joint fluid pressure (Pj) in knees of anaesthetized rabbits. The joints were infused with polydisperse HA of weight-average mass 2100 kDa (4 mg ml−1, n = 17), with polydisperse neutral dextran of similar average mass (2000 kDa; n = 7) or with Ringer solution vehicle (n = 2). The role of polymer charge was assessed by infusions of neutral or sulphated dextran of average molecular mass 500 kDa (n = 6). When HA was present, Q̇s increased little with pressure, forming a virtual plateau of ∼4 μl min−1 from 10 to 25 cmH2O. Neutral dextran 2000 failed to replicate this effect. Instead, Q̇s increased steeply with Pj, reaching eight times the HA value by 20 cmH2O (P = 0.0001, ANOVA). Dextran 2000 reduced flows in comparison with Ringer solution. Analysis of the aspirated joint fluid showed that 31 ± 0.07 % (s.e.m.) of dextran 2000 in the filtrand was reflected by synovium, compared with ≥ 79 % for HA. The viscometric molecular radius of the dextran, ∼31 nm, was smaller than that of HA (101–181 nm), as was its osmotic pressure. Anionic dextran 500 failed to buffer fluid drainage, but it reduced fluid escape and synovial conductance dQ̇s/dPj more than neutral dextran 500 (P < 0.0001, ANOVA). The anionic charge increased the molecular volume and viscosity of dextran 500. The results support the hypothesis that polymer molecular volume influences its reflection by interstitial matrix and outflow buffering. Polymer charge influences flow through an effect on viscosity and possibly electrostatic interactions with negatively charged interstitial matrix. PMID:11060134

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.

Motion of charged particles in planetary magnetospheres with nonelectromagnetic forces

NASA Technical Reports Server (NTRS)

Huang, T. S.; Hill, T. W.; Wolf, R. A.

1988-01-01

Expressions are derived for the mirror point, the bounce period, the second adiabatic invariant, and the bounce-averaged azimuthal drift velocity as functions of equatorial pitch angle for a charged particle in a dipole magnetic field in the presence of centrifugal, gravitational, and Coriolis forces. These expressions are evaluated numerically, and the results are displayed graphically. The average azimuthal drift speed for a flux tube containing a thermal equilibrium plasma distribution is also evaluated.

The interstitial distribution of macromolecules in rat tumours is influenced by the negatively charged matrix components

PubMed Central

Wiig, Helge; Gyenge, Christina C; Tenstad, Olav

2005-01-01

Knowledge of macromolecular distribution volumes is essential in understanding fluid transport within normal and pathological tissues. In this study in vivo we determined the distribution volumes of several macromolecules, including one monoclonal antibody, in tumours and tested whether charges associated with the tumour extracellular matrix influence their available volumes. Steady state levels of the monoclonal antibody trastuzumab (Herceptin) (pI = 9.2), IgG (pI = 7.6) as well as native (pI = 5.0) and cationized albumin (pI = 7.6) were established in rats bearing dimethylbenzanthracene (DMBA)-induced mammary tumours by continuous infusion using osmotic minipumps. After a 5–7 day infusion period, the rats were nephrectomized and the extracellular volume was determined with 51Cr-labelled EDTA. Plasma volumes were measured with 125I-labelled human serum albumin or rat IgM in a separate series. Steady state concentrations of probes were determined in the interstitial fluid that was isolated by centrifugation from tumours or by post mortem wick implantation in the back skin. Calculations were made for interstitial fluid volume (Vi), along with the available (Va/Vi) and excluded (Ve/Vi) relative interstitial volume fractions. The Ve/Vi for the positively charged trastuzumab in tumours averaged 0.29 ± 0.03 (n = 16), a value which was significantly lower than the corresponding one for IgG of 0.36 ± 0.02 (n = 16). Native albumin was excluded from 38% of the tumour interstitial fluid, whereas cationization of albumin reduced the excluded volume by ∼50%. Our experiments suggest that the tumour interstitium acts as a negatively charged matrix and is an important factor in determining the macromolecular distribution volume. PMID:15994186

The interstitial distribution of macromolecules in rat tumours is influenced by the negatively charged matrix components.

PubMed

Wiig, Helge; Gyenge, Christina C; Tenstad, Olav

2005-09-01

Knowledge of macromolecular distribution volumes is essential in understanding fluid transport within normal and pathological tissues. In this study in vivo we determined the distribution volumes of several macromolecules, including one monoclonal antibody, in tumours and tested whether charges associated with the tumour extracellular matrix influence their available volumes. Steady state levels of the monoclonal antibody trastuzumab (Herceptin) (pI = 9.2), IgG (pI = 7.6) as well as native (pI = 5.0) and cationized albumin (pI = 7.6) were established in rats bearing dimethylbenzanthracene (DMBA)-induced mammary tumours by continuous infusion using osmotic minipumps. After a 5-7 day infusion period, the rats were nephrectomized and the extracellular volume was determined with 51Cr-labelled EDTA. Plasma volumes were measured with 125I-labelled human serum albumin or rat IgM in a separate series. Steady state concentrations of probes were determined in the interstitial fluid that was isolated by centrifugation from tumours or by post mortem wick implantation in the back skin. Calculations were made for interstitial fluid volume (Vi), along with the available (Va/Vi) and excluded (Ve/Vi) relative interstitial volume fractions. The Ve/Vi for the positively charged trastuzumab in tumours averaged 0.29 +/- 0.03 (n = 16), a value which was significantly lower than the corresponding one for IgG of 0.36 +/- 0.02 (n = 16). Native albumin was excluded from 38% of the tumour interstitial fluid, whereas cationization of albumin reduced the excluded volume by approximately 50%. Our experiments suggest that the tumour interstitium acts as a negatively charged matrix and is an important factor in determining the macromolecular distribution volume.

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.

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.

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

Energetics and Self-Assembly of Amphipathic Peptide Pores in Lipid Membranes

PubMed Central

Zemel, Assaf; Fattal, Deborah R.; Ben-Shaul, Avinoam

2003-01-01

We present a theoretical study of the energetics, equilibrium size, and size distribution of membrane pores composed of electrically charged amphipathic peptides. The peptides are modeled as cylinders (mimicking α-helices) carrying different amounts of charge, with the charge being uniformly distributed over a hydrophilic face, defined by the angle subtended by polar amino acid residues. The free energy of a pore of a given radius, R, and a given number of peptides, s, is expressed as a sum of the peptides' electrostatic charging energy (calculated using Poisson-Boltzmann theory), and the lipid-perturbation energy associated with the formation of a membrane rim (which we model as being semitoroidal) in the gap between neighboring peptides. A simple phenomenological model is used to calculate the membrane perturbation energy. The balance between the opposing forces (namely, the radial free energy derivatives) associated with the electrostatic free energy that favors large R, and the membrane perturbation term that favors small R, dictates the equilibrium properties of the pore. Systematic calculations are reported for circular pores composed of various numbers of peptides, carrying different amounts of charge (1–6 elementary, positive charges) and characterized by different polar angles. We find that the optimal R's, for all (except, possibly, very weakly) charged peptides conform to the “toroidal” pore model, whereby a membrane rim larger than ∼1 nm intervenes between neighboring peptides. Only weakly charged peptides are likely to form “barrel-stave” pores where the peptides essentially touch one another. Treating pore formation as a two-dimensional self-assembly phenomenon, a simple statistical thermodynamic model is formulated and used to calculate pore size distributions. We find that the average pore size and size polydispersity increase with peptide charge and with the amphipathic polar angle. We also argue that the transition of peptides from the adsorbed to the inserted (membrane pore) state is cooperative and thus occurs rather abruptly upon a change in ambient conditions. PMID:12668433

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.

Event-shape engineering for inclusive spectra and elliptic flow in Pb-Pb collisions at s NN = 2.76 TeV

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

Adam, J.; Adamová, D.; Aggarwal, M. M.

Here, we report on results obtained with the event-shape engineering technique applied to Pb-Pb collisions at root √s NN = 2.76 TeV. By selecting events in the same centrality interval, but with very different average flow, different initial-state conditions can be studied. We find the effect of the event-shape selection on the elliptic flow coefficient v 2 to be almost independent of transverse momentum p T, which is as expected if this effect is attributable to fluctuations in the initial geometry of the system. Charged-hadron, -pion, -kaon, and -proton transverse momentum distributions are found to be harder in events withmore » higher-than-average elliptic flow, indicating an interplay between radial and elliptic flow.« less

Event-shape engineering for inclusive spectra and elliptic flow in Pb-Pb collisions at s NN = 2.76 TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2016-03-31

Here, we report on results obtained with the event-shape engineering technique applied to Pb-Pb collisions at root √s NN = 2.76 TeV. By selecting events in the same centrality interval, but with very different average flow, different initial-state conditions can be studied. We find the effect of the event-shape selection on the elliptic flow coefficient v 2 to be almost independent of transverse momentum p T, which is as expected if this effect is attributable to fluctuations in the initial geometry of the system. Charged-hadron, -pion, -kaon, and -proton transverse momentum distributions are found to be harder in events withmore » higher-than-average elliptic flow, indicating an interplay between radial and elliptic flow.« less

A new battery-charging method suggested by molecular dynamics simulations.

PubMed

Abou Hamad, Ibrahim; Novotny, M A; Wipf, D O; Rikvold, P A

2010-03-20

Based on large-scale molecular dynamics simulations, we propose a new charging method that should be capable of charging a lithium-ion battery in a fraction of the time needed when using traditional methods. This charging method uses an additional applied oscillatory electric field. Our simulation results show that this charging method offers a great reduction in the average intercalation time for Li(+) ions, which dominates the charging time. The oscillating field not only increases the diffusion rate of Li(+) ions in the electrolyte but, more importantly, also enhances intercalation by lowering the corresponding overall energy barrier.

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

Determining equilibrium osmolarity in poly(ethylene glycol)/chondrotin sulfate gels mimicking articular cartilage.

PubMed

Sircar, S; Aisenbrey, E; Bryant, S J; Bortz, D M

2015-01-07

We present an experimentally guided, multi-phase, multi-species polyelectrolyte gel model to make qualitative predictions on the equilibrium electro-chemical properties of articular cartilage. The mixture theory consists of two different types of polymers: poly(ethylene gylcol) (PEG), chondrotin sulfate (ChS), water (acting as solvent) and several different ions: H(+), Na(+), Cl(-). The polymer chains have covalent cross-links whose effect on the swelling kinetics is modeled via Doi rubber elasticity theory. Numerical studies on equilibrium polymer volume fraction and net osmolarity (difference in the solute concentration across the gel) show a complex interplay between ionic bath concentrations, pH, cross-link fraction and the average charge per monomer. Generally speaking, swelling is aided due to a higher average charge per monomer (or a higher particle fraction of ChS, the charged component of the polymer), low solute concentration in the bath, a high pH or a low cross-link fraction. A peculiar case arises at higher values of cross-link fraction, where it is observed that increasing the average charge per monomer leads to gel deswelling. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions.

PubMed

Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

2015-08-14

We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.

Canonical Schottky barrier heights of transition metal dichalcogenide monolayers in contact with a metal

NASA Astrophysics Data System (ADS)

Szcześniak, Dominik; Hoehn, Ross D.; Kais, Sabre

2018-05-01

The transition metal dichalcogenide (M X2 , where M =Mo , W and X =S , Se, Te) monolayers are of high interest for semiconducting applications at the nanoscale level; this interest is due to both their direct band gaps and high charge mobilities. In this regard, an in-depth understating of the related Schottky barrier heights, associated with the incorporation of M X2 sheets into novel low-dimensional metal-semiconductor junctions, is of crucial importance. Herein, we generate and provide analysis of the Schottky barrier heights behavior to account for the metal-induced gap states concept as its explanation. In particular, the present investigations concentrate on the estimation of the charge neutrality levels directly by employing the primary theoretical model, i.e., the cell-averaged Green's function formalism combined with the complex band structure technique. The results presented herein place charge neutrality levels in the vicinity of the midgap; this is in agreement with previous reports and analogous to the behavior of three-dimensional semiconductors. The calculated canonical Schottky barrier heights are also found to be in agreement with other computational and experimental values in cases where the difference between electronegativities of the semiconductor and metal contact is small. Moreover, the influence of the spin-orbit effects is herein considered and supports that Schottky barrier heights have metal-induced gap state-derived character, regardless whether spin-orbit coupling interactions are considered. The results presented within this report constitute a direct and vital verification of the importance of metal-induced gap states in explaining the behavior of observed Schottky barrier heights at M X2 -metal junctions.

Orbit-averaged quantities, the classical Hellmann-Feynman theorem, and the magnetic flux enclosed by gyro-motion

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

Perkins, R. J., E-mail: rperkins@pppl.gov; Bellan, P. M.

Action integrals are often used to average a system over fast oscillations and obtain reduced dynamics. It is not surprising, then, that action integrals play a central role in the Hellmann-Feynman theorem of classical mechanics, which furnishes the values of certain quantities averaged over one period of rapid oscillation. This paper revisits the classical Hellmann-Feynman theorem, rederiving it in connection to an analogous theorem involving the time-averaged evolution of canonical coordinates. We then apply a modified version of the Hellmann-Feynman theorem to obtain a new result: the magnetic flux enclosed by one period of gyro-motion of a charged particle inmore » a non-uniform magnetic field. These results further demonstrate the utility of the action integral in regards to obtaining orbit-averaged quantities and the usefulness of this formalism in characterizing charged particle motion.« less

Differentiation between Shallow and Deep Charge Trap States on Single Poly(3-hexylthiophene) Chains through Fluorescence Photon Statistics.

PubMed

Grußmayer, Kristin S; Steiner, Florian; Lupton, John M; Herten, Dirk-Peter; Vogelsang, Jan

2015-12-01

Blinking of the photoluminescence (PL) emitted from individual conjugated polymer chains is one of the central observations made by single-molecule spectroscopy (SMS). Important information, for example regarding excitation energy transfer, can be extracted by evaluating dynamic quenching. However, the nature of trap states, which are responsible for PL quenching, often remains obscured. We present a detailed investigation of the photon statistics of single poly(3-hexylthiophene) (P3HT) chains obtained by SMS. The photon statistics provide a measure of the number and brightness of independently emitting areas on a single chain. These observables can be followed during blinking. A decrease in PL intensity is shown to be correlated with either 1) a decrease in the average brightness of the emitting sites; or 2) a decrease in the number of emitting regions. We attribute these phenomena to the formation of 1) shallow charge traps, which can weakly affect all emitting areas of a single chain at once; and 2) deep traps, which have a strong effect on small regions within the single chains. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

NASA Astrophysics Data System (ADS)

Zhao, Jifei; Lu, Xiangyang; Zhou, Kui; Yang, Ziqin; Yang, Deyu; Luo, Xing; Tan, Weiwei; Yang, Yujia

2016-06-01

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. The self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.

Feedback-tuned, noise resilient gates for encoded spin qubits

NASA Astrophysics Data System (ADS)

Bluhm, Hendrik

Spin 1/2 particles form native two level systems and thus lend themselves as a natural qubit implementation. However, encoding a single qubit in several spins entails benefits, such as reducing the resources necessary for qubit control and protection from certain decoherence channels. While several varieties of such encoded spin qubits have been implemented, accurate control remains challenging, and leakage out of the subspace of valid qubit states is a potential issue. Optimal performance typically requires large pulse amplitudes for fast control, which is prone to systematic errors and prohibits standard control approaches based on Rabi flopping. Furthermore, the exchange interaction typically used to electrically manipulate encoded spin qubits is inherently sensitive to charge noise. I will discuss all-electrical, high-fidelity single qubit operations for a spin qubit encoded in two electrons in a GaAs double quantum dot. Starting from a set of numerically optimized control pulses, we employ an iterative tuning procedure based on measured error syndromes to remove systematic errors.Randomized benchmarking yields an average gate fidelity exceeding 98 % and a leakage rate into invalid states of 0.2 %. These gates exhibit a certain degree of resilience to both slow charge and nuclear spin fluctuations due to dynamical correction analogous to a spin echo. Furthermore, the numerical optimization minimizes the impact of fast charge noise. Both types of noise make relevant contributions to gate errors. The general approach is also adaptable to other qubit encodings and exchange based two-qubit gates.

FAST TRACK COMMUNICATION: Inhomogeneous charge redistribution in Xe clusters exposed to an intense extreme ultraviolet free electron laser

NASA Astrophysics Data System (ADS)

Iwayama, H.; Sugishima, A.; Nagaya, K.; Yao, M.; Fukuzawa, H.; Motomura, K.; Liu, X.-J.; Yamada, A.; Wang, C.; Ueda, K.; Saito, N.; Nagasono, M.; Tono, K.; Yabashi, M.; Ishikawa, T.; Ohashi, H.; Kimura, H.; Togashi, T.

2010-08-01

The emission of highly charged ions from Xe clusters exposed to intense extreme ultraviolet laser pulses (λ ~ 52 nm) from the free electron laser in Japan was investigated using ion momentum spectroscopy. With increasing average cluster size, we observed multiply charged ions Xez + up to z = 3. From kinetic energy distributions, we found that multiply charged ions were generated near the cluster surface. Our results suggest that charges are inhomogeneously redistributed in the cluster to lower the total energy stored in the clusters.

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.

Trauma systems and the costs of trauma care.

PubMed Central

Goldfarb, M G; Bazzoli, G J; Coffey, R M

1996-01-01

OBJECTIVE. This study examines the cost of providing trauma services in trauma centers organized by publicly administered trauma systems, compared to hospitals not part of a formal trauma system. DATA SOURCES AND STUDY SETTING. Secondary administrative discharge abstracts for a national sample of severely injured trauma patients in 44 trauma centers and 60 matched control hospitals for the year 1987 were used. STUDY DESIGN. Retrospective univariate and multivariate analyses were conducted to examine the impact of formal trauma systems and trauma center designation on the costs of treating trauma patients. Key dependent variables included length of stay, charge per day per patient, and charge per hospital stay. Key impact variables were type of trauma system and level of trauma designation. Control variables included patient, hospital, and community characteristics. DATA COLLECTION/EXTRACTION METHODS. Data were selected for hospitals based on (1) a large national hospital discharge database, the Hospital Cost and Utilization Project, 1980-1987 (HCUP-2) and (2) a special survey of trauma systems and trauma designation undertaken by the Hospital Research and Educational Trust of the American Hospital Association. PRINCIPAL FINDINGS. The results show that publicly designated Level I trauma centers, which are the focal point of most trauma systems, have the highest charge per case, the highest average charge per day, and similar or longer average lengths of stay than other hospitals. These findings persist after controlling for patient injury and health status, and for demographic characteristics and hospital and community characteristics. CONCLUSIONS. Prior research shows that severely injured trauma patients have greater chances of survival when treated in specialized trauma centers. However, findings here should be of concern to the many states developing trauma systems since the high costs of Level I centers support limiting the number of centers designated at this level and/or reconsidering the requirements placed on these centers. PMID:8617611

Analysis of variation in charges and prices paid for vaginal and caesarean section births: a cross-sectional study.

PubMed

Hsia, Renee Y; Akosa Antwi, Yaa; Weber, Ellerie

2014-01-15

To examine the between-hospital variation of charges and discounted prices for uncomplicated vaginal and caesarean section deliveries, and to determine the institutional and market-level characteristics that influence adjusted charges. Using data from the California Office of Statewide Health Planning and Development (OSHPD), we conducted a cross-sectional study of all privately insured patients admitted to California hospitals in 2011 for uncomplicated vaginal delivery (diagnosis-related group (DRG) 775) or uncomplicated caesarean section (DRG 766). Hospital charges and discounted prices adjusted for each patient's clinical and demographic characteristics. We analysed 76 766 vaginal deliveries and 32 660 caesarean sections in California in 2011. After adjusting for patient demographic and clinical characteristics, we found that the average California woman could be charged as little as US$3296 or as much as US$37 227 for a vaginal delivery, and US$8312-US$70 908 for a caesarean section depending on which hospital she was admitted to. The discounted prices were, on an average, 37% of the charges. We found that hospitals in markets with middling competition had significantly lower adjusted charges for vaginal deliveries, while hospitals with higher wage indices and casemixes, as well as for-profit hospitals, had higher adjusted charges. Hospitals in markets with higher uninsurance rates charged significantly less for caesarean sections, while for-profit hospitals and hospitals with higher wage indices charged more. However, the institutional and market-level factors included in our models explained only 35-36% of the between-hospital variation in charges. These results indicate that charges and discounted prices for two common, relatively homogeneous diagnosis groups-uncomplicated vaginal delivery and caesarean section-vary widely between hospitals and are not well explained by observable patient or hospital characteristics.

The price of surgery: markup of operative procedures in the United States.

PubMed

Gani, Faiz; Makary, Martin A; Pawlik, Timothy M

2017-02-01

Despite cost containment efforts, the price for surgery is not subject to any regulations. We sought to characterize and compare variability in pricing for commonly performed major surgical procedures across the United States. Medicare claims corresponding to eight major surgical procedures (aortic aneurysm repair, aortic valvuloplasty, carotid endartectomy, coronary artery bypass grafting, esophagectomy, pancreatectomy, liver resection, and colectomy) were identified using the Medicare Provider Utilization and Payment Data Physician and Other Supplier Public Use File for 2013. For each procedure, total charges, Medicare-allowable costs, and total payments were recorded. A procedure-specific markup ratio (MR; ratio of total charges to Medicare-allowable costs) was calculated and compared between procedures and across states. Variation in MR was compared using a coefficient of variation (CoV). Among all providers, the median MR was 3.5 (interquartile range: 3.1-4.0). MR was noted to vary by procedure; ranging from 3.0 following colectomy to 6.0 following carotid endartectomy (P < 0.001). MR also varied for the same procedure; varying the least after liver resection (CoV = 0.24), while coronary artery bypass grafting pricing demonstrated the greatest variation in MR (CoV = 0.53). Compared with the national average, MR varied by 36% between states ranging from 1.8 to 13.0. Variation in MR was also noted within the same state varying by 15% within the state of Arkansas (CoV = 0.15) compared with 51% within the state of Wisconsin (CoV = 0.51). Significant variation was noted for the price of surgery by procedure as well as between and within different geographical regions. Greater scrutiny and transparency in the price of surgery is required to promote cost containment. Copyright © 2016 Elsevier Inc. All rights reserved.

47 CFR 64.1801 - Geographic rate averaging and rate integration.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 3 2010-10-01 2010-10-01 false Geographic rate averaging and rate integration. 64.1801 Section 64.1801 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON... Rate Integration § 64.1801 Geographic rate averaging and rate integration. (a) The rates charged by...

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

Differences across payors in charges for agency-based home health services: evidence from the National Home and Hospice Care Survey.

PubMed Central

Freedman, V A; Reschovsky, J D

1997-01-01

OBJECTIVE: To investigate charge and payment differentials for home health services across different payors. DATA SOURCES: The 1992 National Home and Hospice Care Survey, a nationally representative survey of home and hospice care agencies and their patients, collected by the National Center for Health Statistics. STUDY DESIGN: We compare the average charge for a Medicare home health visit to the average charge for patients with other sources of payment. In making such comparisons, we control for differences across payors in service mix and agency characteristics. PRINCIPAL FINDINGS: Agencies charge various payors different amounts for similar services, and Medicare is consistently charged more than other payors. CONCLUSIONS: Findings imply the potential existence of payment differentials across payors for home health services, with Medicare and privately insured patients likely to be paying more than others for similar services. Such conclusions raise the possibility that, as in other segments of the healthcare market, cost-shifting and price discrimination might exist within the home health industry. Future research should explore these issues, along with the question of whether Medicare is paying too much for home health services. PMID:9327812

47 CFR 61.48 - Transition rules for price cap formula calculations.

Code of Federal Regulations, 2011 CFR

2011-10-01

... charges due to GDP-PI—X targeting for $0.0095 filing entities. (ii) Reductions in Average Traffic Sensitive charges resulting from: (A) Targeting of the application of the (GDP-PI—X) portion of the formula...

Universal behavior of surface-dangling bonds in hydrogen-terminated Si, Ge, and Si/Ge nanowires.

NASA Astrophysics Data System (ADS)

Nunes, Ricardo; Kagimura, Ricardo; Chacham, Hélio

2007-03-01

We report an ab initio study of the electronic properties of surface dangling bond (SDB) states in hydrogen-terminated Si, Ge, and Si/Ge nanowires with diameters between 1 and 2 nm. We find that the charge transition levels ɛ(+/-) of SDB states are deep in the bandgap for Si wires, and shallow (near the valence band edge) for Ge wires. In both Si and Ge wires, the SDB states are localized. We also find that the SDB ɛ(+/-) levels behave as a ``universal" energy reference level among Si, Ge, and Si/Ge wires within a precision of 0.1 eV. By computing the average bewteen the electron affinity and ionization energy in the atomi limit of several atoms from the III, IV and V columns, we conjecture that the universality is a periodic-table atomic property.

Operation of Lanzhou all permanent electron cyclotron resonance ion source No. 2 on 320 kV platform with highly charged ions.

PubMed

Lu, W; Li, J Y; Kang, L; Liu, H P; Li, H; Li, J D; Sun, L T; Ma, X W

2014-02-01

The 320 kV platform for multi-discipline research with highly charged ions is a heavy ion beam acceleration instrument developed by Institute of Modern Physics, which is dedicated to basic scientific researches such as plasma, atom, material physics, and astrophysics, etc. The platform has delivered ion beams of 400 species for 36,000 h. The average operation time is around 5000 h/year. With the beams provided by the platform, lots of outstanding progresses were made in various research fields. The ion source of the platform is an all-permanent magnet electron cyclotron resonance ion source, LAPECR2 (Lanzhou All Permanent ECR ion source No. 2). The maximum axial magnetic fields are 1.28 T at injection and 1.07 T at extraction, and the radial magnetic field is up to 1.21 T at the inner wall of the plasma chamber. The ion source is capable to produce low, medium, and high charge state gaseous and metallic ion beams, such as H(+), (40)Ar(8+), (129)Xe(30+), (209)Bi(33+), etc. This paper will present the latest result of LAPECR2 and the routine operation status for the high voltage platform.

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.

The composition of heavy ions in solar energetic particle events

NASA Technical Reports Server (NTRS)

Fan, C. Y.; Gloeckler, G.; Hovestadt, D.

1983-01-01

Recent advances in determining the elemental, charge state, and isotopic composition of or approximate to 1 to or approximate to 20 MeV per nucleon ions in solar energetic particle (SEP) events and outline our current understanding of the nature of solar and interplanetary processes which may explain the observations. Average values of relative abundances measured in a large number of SEP events were found to be roughly energy independent in the approx. 1 to approx. 20 MeV per nucleon range, and showed a systematic deviation from photospheric abundances which seems to be organized in terms of the first ionization potential of the ion. Direct measurements of the charge states of SEPs revealed the surprisingly common presence of energetic He(+) along with heavy ion with typically coronal ionization states. High resolution measurements of isotopic abundance ratios in a small number of SEP events showed these to be consistent with the universal composition except for the puzzling overabundance of the SEP(22)Ne/(20)Ne relative to this isotopes ratio in the solar wind. The broad spectrum of observed elemental abundance variations, which in their extreme result in composition anomalies characteristic of (3)He rich, heavy ion rich and carbon poor SEP events, along with direct measurements of the ionization states of SEPs provided essential information on the physical characteristics of, and conditions in the source regions, as well as important constraints to possible models for SEP production.

The electrification of stratiform anvils

NASA Astrophysics Data System (ADS)

Boccippio, Dennis J.

1997-10-01

Stratiform precipitation regions accompany convective activity on many spatial scales. The electrification of these regions is anomalous in a number of ways. Surface and above-cloud fields are often 'inverted' from normal thunderstorm conditions. Unusually large, bright, horizontal 'spider' lightning and high current and charge transfer positive cloud-to-ground (CC) lightning dominates in these regions. Mesospheric 'red sprite' emissions have to date been observed exclusively over stratiform cloud shields. We postulate that a dominant 'inverted dipole' charge structure may account for this anomalous electrification. This is based upon laboratory observations of charge separation which show that in low liquid water content (LWC) environments, or dry but ice- supersaturated environments, precipitation ice tends to charge positively (instead of negatively) upon collision with smaller crystals. Under typical stratiform cloud conditions, liquid water should be depleted and this charging regime favored. An inverted dipole would be the natural consequence of large-scale charge separation (net flux divergence of charged ice), given typical hydrometeor profiles. The inverted dipole hypothesis is tested using radar and electrical observations of four weakly organized, late- stage systems in Orlando, Albuquerque and the Western Pacific. Time-evolving, area-average vertical velocity profiles are inferred from single Doppler radar data. These profiles provide the forcing for a 1-D steady state micro-physical retrieval, which yields vertical hydrometeor profiles and ice/water saturation conditions. The retrieved microphysical parameters are then combined with laboratory charge transfer measurements to infer the instantaneous charging behavior of the systems. Despite limitations in the analysis technique, the retrievals yield useful results. Total charge transfer drops only modestly as the storm enters the late (stratiform) stage, suggesting a continued active generator is plausible. Generator currents show an enhanced lowermost inverted dipole charging structure, which we may infer will result in a comparable inverted dipole charge structure, consistent with surface, in-situ and remote observations. Fine-scale vertical variations in ice and liquid water content may yield multipolar generator current profiles, despite unipolar charge transfer regimes. This suggests that multipoles observed in balloon soundings may not necessarily conflict with the simple ice-ice collisional charge separation mechanism. Overall, the results are consistent with, but not proof of, the inverted dipole model. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253- 1690.)

A stochastic flow-capturing model to optimize the location of fast-charging stations with uncertain electric vehicle flows

DOE PAGES

Wu, Fei; Sioshansi, Ramteen

2017-05-04

Here, we develop a model to optimize the location of public fast charging stations for electric vehicles (EVs). A difficulty in planning the placement of charging stations is uncertainty in where EV charging demands appear. For this reason, we use a stochastic flow-capturing location model (SFCLM). A sample-average approximation method and an averaged two-replication procedure are used to solve the problem and estimate the solution quality. We demonstrate the use of the SFCLM using a Central-Ohio based case study. We find that most of the stations built are concentrated around the urban core of the region. As the number ofmore » stations built increases, some appear on the outskirts of the region to provide an extended charging network. We find that the sets of optimal charging station locations as a function of the number of stations built are approximately nested. We demonstrate the benefits of the charging-station network in terms of how many EVs are able to complete their daily trips by charging midday—six public charging stations allow at least 60% of EVs that would otherwise not be able to complete their daily tours without the stations to do so. We finally compare the SFCLM to a deterministic model, in which EV flows are set equal to their expected values. We show that if a limited number of charging stations are to be built, the SFCLM outperforms the deterministic model. As the number of stations to be built increases, the SFCLM and deterministic model select very similar station locations.« less

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.

Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni 2+ aqua complex

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

Kunnus, K.; Josefsson, I.; Schreck, S.

We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni 2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L 3-edge allows to determine that the Ni 3d orbitals have on average 5.5% of water character. Here, we propose that 2p3d RIXS at the Ni L 3-edge can be utilized to quantify covalency in Ni complexes without the use of externalmore » references or simulations.« less

Measurement of muon plus proton final states in muon neutrinos interactions on CH at 4.2 GeV

NASA Astrophysics Data System (ADS)

Rakotondravohitra, Laza; Minerva Collaboration

2015-04-01

MINERvA (Main INjector Experiment for v-A) is a neutrino scattering experiment in Fermilab's NuMI high-intensity neutrino beam. MINERvA was designed to make precision measurements of neutrino and antineutrino cross sections on a variety of materials including plastic scintillator(CH), C, Fe, Pb, He and water. We present a result of charged-current muon neutrino scattering on hydrocarbon (CH) at an average neutrino energy of 4.2 GeV in which the final state includes a muon, at least one proton, and no pions exiting the nucleus . Although this signature has the topology of neutrino quasielastic scattering from neutrons, the event sample contains contributions from both quasielastic and inelastic processes where pions are absorbed in the nucleus.

Measurement of Muon Neutrino Quasielastic Scattering on a Hydrocarbon Target at E ν~3.5 GeV

DOE PAGES

Fiorentini, G. A.; Schmitz, D. W.; Rodrigues, P. A.; ...

2013-07-11

We report a study of ν μ charged-current quasielastic events in the segmented scintillator inner tracker of the MINERvA experiment running in the NuMI neutrino beam at Fermilab. The events were selected by requiring a μ⁻ and low calorimetric recoil energy separated from the interaction vertex. We measure the flux-averaged differential cross section, dσ/dQ², and study the low energy particle content of the final state. Deviations are found between the measured dσ/dQ² and the expectations of a model of independent nucleons in a relativistic Fermi gas. We also observe an excess of energy near the vertex consistent with multiple protonsmore » in the final state.« less

Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni 2+ aqua complex

DOE PAGES

Kunnus, K.; Josefsson, I.; Schreck, S.; ...

2016-12-23

We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni 2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L 3-edge allows to determine that the Ni 3d orbitals have on average 5.5% of water character. Here, we propose that 2p3d RIXS at the Ni L 3-edge can be utilized to quantify covalency in Ni complexes without the use of externalmore » references or simulations.« less

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

Semi-empirical scaling for ion-atom single charge exchange cross sections in the intermediate velocity regime

NASA Astrophysics Data System (ADS)

Friedman, B.; DuCharme, G.

2017-06-01

We present a semi-empirical scaling law for non-resonant ion-atom single charge exchange cross sections for collisions with velocities from {10}7 {{t}}{{o}} {10}9 {cm} {{{s}}}-1 and ions with positive charge q< 8. Non-resonant cross sections tend to have a velocity peak at collision velocities v≲ 1 {{a}}{{u}} with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, {{Δ }}E, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters {v}{{m}},{I}{{T}},{Z}{{T}},{and} {Z}{{P}}, where the {Z}{{T},{{P}}} are the target and projectile atomic numbers. For the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.

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.

Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials

NASA Astrophysics Data System (ADS)

Moynihan, Glenn; Sanvito, Stefano; O'Regan, David D.

2017-12-01

We perform comprehensive density-functional theory calculations on strained two-dimensional phosphorus (P), arsenic (As) and antimony (Sb) in the monolayer, bilayer, and bulk α-phase, from which we compute the key mechanical and electronic properties of these materials. Specifically, we compute their electronic band structures, band gaps, and charge-carrier effective masses, and identify the qualitative electronic and structural transitions that may occur. Moreover, we compute the elastic properties such as the Young’s modulus Y; shear modulus G; bulk modulus B ; and Poisson ratio ν and present their isotropic averages of as well as their dependence on the in-plane orientation, for which the relevant expressions are derived. We predict strain-induced Dirac states in the monolayers of As and Sb and the bilayers of P, As, and Sb, as well as the possible existence of Weyl states in the bulk phases of P and As. These phases are predicted to support charge velocities up to 106 m {{\\text{s}}-1} and, in some highly anisotropic cases, permit one-dimensional ballistic conductivity in the puckered direction. We also predict numerous band gap transitions for moderate in-plane stresses. Our results contribute to the mounting evidence for the utility of these materials, made possible by their broad range in tuneable properties, and facilitate the directed exploration of their potential application in next-generation electronics.

Ultrafast absorption of intense x rays by nitrogen molecules

NASA Astrophysics Data System (ADS)

Buth, Christian; Liu, Ji-Cai; Chen, Mau Hsiung; Cryan, James P.; Fang, Li; Glownia, James M.; Hoener, Matthias; Coffee, Ryan N.; Berrah, Nora

2012-06-01

We devise a theoretical description for the response of nitrogen molecules (N2) to ultrashort and intense x rays from the free electron laser Linac Coherent Light Source (LCLS). We set out from a rate-equation description for the x-ray absorption by a nitrogen atom. The equations are formulated using all one-x-ray-photon absorption cross sections and the Auger and radiative decay widths of multiply-ionized nitrogen atoms. Cross sections are obtained with a one-electron theory and decay widths are determined from ab initio computations using the Dirac-Hartree-Slater (DHS) method. We also calculate all binding and transition energies of nitrogen atoms in all charge states with the DHS method as the difference of two self-consistent field (SCF) calculations (ΔSCF method). To describe the interaction with N2, a detailed investigation of intense x-ray-induced ionization and molecular fragmentation are carried out. As a figure of merit, we calculate ion yields and the average charge state measured in recent experiments at the LCLS. We use a series of phenomenological models of increasing sophistication to unravel the mechanisms of the interaction of x rays with N2: a single atom, a symmetric-sharing model, and a fragmentation-matrix model are developed. The role of the formation and decay of single and double core holes, the metastable states of N_2^{2+}, and molecular fragmentation are explained.

Electronic Structure of a Self-Assembled Monolayer with Two Surface Anchors: 6-Mercaptopurine on Au(111).

PubMed

Fernández, Cynthia C; Pensa, Evangelina; Carro, Pilar; Salvarezza, Roberto; Williams, Federico J

2018-05-22

The electronic structure of aromatic and aliphatic thiols on Au(111) has been extensively studied in relation to possible applications in molecular electronics. In this work, the effect on the electronic structure of an additional anchor to the S-Au bond using 6-mercaptopurine as a model system has been investigated. Results from X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and density functional theory (DFT) confirm that this molecule adsorbs on Au(111) with S-Au and iminic N-Au bonds. Combined ultraviolet photoelectron spectroscopy and DFT data reveal that formation of the 6MP self-assembled monolayer generates a molecular dipole perpendicular to the surface, with negative charges residing at the metal/monolayer interface and positive charges at the monolayer/vacuum interface, which lowers the substrate work function. Scanning tunneling microscopy shows two surface molecular domains: a well-ordered rectangular lattice where molecules are tilted on average 30° with respect to the substrate and aligned 6MP islands where molecules are standing upright. Finally, we found a new electronic state located at -1.7 eV with respect to the Fermi level that corresponds to a localized π molecular state, while the state corresponding to the N-Au bond is hybridized with Au d electrons and stabilized at much lower energies (-3 eV).

Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model.

PubMed

Silva, Arnaldo F; Richter, Wagner E; Meneses, Helen G C; Bruns, Roy E

2014-11-14

Atomic charge transfer-counter polarization effects determine most of the infrared fundamental CH intensities of simple hydrocarbons, methane, ethylene, ethane, propyne, cyclopropane and allene. The quantum theory of atoms in molecules/charge-charge flux-dipole flux model predicted the values of 30 CH intensities ranging from 0 to 123 km mol(-1) with a root mean square (rms) error of only 4.2 km mol(-1) without including a specific equilibrium atomic charge term. Sums of the contributions from terms involving charge flux and/or dipole flux averaged 20.3 km mol(-1), about ten times larger than the average charge contribution of 2.0 km mol(-1). The only notable exceptions are the CH stretching and bending intensities of acetylene and two of the propyne vibrations for hydrogens bound to sp hybridized carbon atoms. Calculations were carried out at four quantum levels, MP2/6-311++G(3d,3p), MP2/cc-pVTZ, QCISD/6-311++G(3d,3p) and QCISD/cc-pVTZ. The results calculated at the QCISD level are the most accurate among the four with root mean square errors of 4.7 and 5.0 km mol(-1) for the 6-311++G(3d,3p) and cc-pVTZ basis sets. These values are close to the estimated aggregate experimental error of the hydrocarbon intensities, 4.0 km mol(-1). The atomic charge transfer-counter polarization effect is much larger than the charge effect for the results of all four quantum levels. Charge transfer-counter polarization effects are expected to also be important in vibrations of more polar molecules for which equilibrium charge contributions can be large.

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.

A theoretical method to compute sequence dependent configurational properties in charged polymers and proteins.

PubMed

Sawle, Lucas; Ghosh, Kingshuk

2015-08-28

A general formalism to compute configurational properties of proteins and other heteropolymers with an arbitrary sequence of charges and non-uniform excluded volume interaction is presented. A variational approach is utilized to predict average distance between any two monomers in the chain. The presented analytical model, for the first time, explicitly incorporates the role of sequence charge distribution to determine relative sizes between two sequences that vary not only in total charge composition but also in charge decoration (even when charge composition is fixed). Furthermore, the formalism is general enough to allow variation in excluded volume interactions between two monomers. Model predictions are benchmarked against the all-atom Monte Carlo studies of Das and Pappu [Proc. Natl. Acad. Sci. U. S. A. 110, 13392 (2013)] for 30 different synthetic sequences of polyampholytes. These sequences possess an equal number of glutamic acid (E) and lysine (K) residues but differ in the patterning within the sequence. Without any fit parameter, the model captures the strong sequence dependence of the simulated values of the radius of gyration with a correlation coefficient of R(2) = 0.9. The model is then applied to real proteins to compare the unfolded state dimensions of 540 orthologous pairs of thermophilic and mesophilic proteins. The excluded volume parameters are assumed similar under denatured conditions, and only electrostatic effects encoded in the sequence are accounted for. With these assumptions, thermophilic proteins are found-with high statistical significance-to have more compact disordered ensemble compared to their mesophilic counterparts. The method presented here, due to its analytical nature, is capable of making such high throughput analysis of multiple proteins and will have broad applications in proteomic studies as well as in other heteropolymeric systems.

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

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.

Structure and stabilizing interactions of casein micelles probed by high-pressure light scattering and FTIR.

PubMed

Gebhardt, Ronald; Takeda, Naohiro; Kulozik, Ulrich; Doster, Wolfgang

2011-03-17

Caseins form heterogeneous micelles composed of three types of disordered protein chains (α, β, κ), which include protein-bound calcium phosphate particles. We probe the stability limits of the micelle by applying hydrostatic pressure. The resulting changes of the size distribution and the average molecular weight are recorded in situ with static and dynamic light scattering. Pressure induces irreversible dissociation of the micelles into monomers above a critical value depending on their size. The critical pressure increases with temperature, pH, and calcium concentration due to the interplay of hydrophobic and electrostatic interactions. The pressure transition curves are biphasic, reflecting the equilibrium of two micelle states with different stability, average size, entropy, and calcium bound. The fast process of pressure dissociation is used to probe the slow equilibrium of the two micelle states under various conditions. Binding and release of β-casein from the micelle is suggested as the molecular mechanism of stabilization associated with the two states. In situ FTIR spectroscopy covering the P-O stretching region indicates that bound calcium phosphate particles are released from serine phosphate residues at pressures above 100 MPa. The resulting imbalance of charge triggers the complete decomposition of the micelle. © 2011 American Chemical Society

Study of charged hadron multiplicities in charged-current neutrino-lead interactions in the OPERA detector

NASA Astrophysics Data System (ADS)

Agafonova, N.; Aleksandrov, A.; Anokhina, A.; Aoki, S.; Ariga, A.; Ariga, T.; Bertolin, A.; Bodnarchuk, I.; Bozza, C.; Brugnera, R.; Buonaura, A.; Buontempo, S.; Chernyavskiy, M.; Chukanov, A.; Consiglio, L.; D'Ambrosio, N.; De Lellis, G.; De Serio, M.; del Amo Sanchez, P.; Di Crescenzo, A.; Di Ferdinando, D.; Di Marco, N.; Dmitrievski, S.; Dracos, M.; Duchesneau, D.; Dusini, S.; Dzhatdoev, T.; Ebert, J.; Ereditato, A.; Fini, R. A.; Fornari, F.; Fukuda, T.; Galati, G.; Garfagnini, A.; Gentile, V.; Goldberg, J.; Gornushkin, Y.; Gorbunov, S.; Grella, G.; Guler, A. M.; Gustavino, C.; Hagner, C.; Hara, T.; Hayakawa, T.; Hollnagel, A.; Hosseini, B.; Ishiguro, K.; Jakovcic, K.; Jollet, C.; Kamiscioglu, C.; Kamiscioglu, M.; Kim, S. H.; Kitagawa, N.; Klicek, B.; Kodama, K.; Komatsu, M.; Kose, U.; Kreslo, I.; Laudisio, F.; Lauria, A.; Ljubicic, A.; Longhin, A.; Loverre, P.; Malgin, A.; Malenica, M.; Mandrioli, G.; Matsuo, T.; Matveev, V.; Mauri, N.; Medinaceli, E.; Meregaglia, A.; Mikado, S.; Miyanishi, M.; Mizutani, F.; Monacelli, P.; Montesi, M. C.; Morishima, K.; Muciaccia, M. T.; Naganawa, N.; Naka, T.; Nakamura, M.; Nakano, T.; Niwa, K.; Okateva, N.; Ogawa, S.; Ozaki, K.; Paoloni, A.; Paparella, L.; Park, B. D.; Pasqualini, L.; Pastore, A.; Patrizii, L.; Pessard, H.; Podgrudkov, D.; Polukhina, N.; Pozzato, M.; Pupilli, F.; Roda, M.; Roganova, T.; Rokujo, H.; Rosa, G.; Ryazhskaya, O.; Sato, O.; Schembri, A.; Shakirianova, I.; Shchedrina, T.; Shibuya, H.; Shibayama, E.; Shiraishi, T.; Simone, S.; Sirignano, C.; Sirri, G.; Sotnikov, A.; Spinetti, M.; Stanco, L.; Starkov, N.; Stellacci, S. M.; Stipcevic, M.; Strolin, P.; Takahashi, S.; Tenti, M.; Terranova, F.; Tioukov, V.; Vasina, S.; Vilain, P.; Voevodina, E.; Votano, L.; Vuilleumier, J. L.; Wilquet, G.; Wonsak, B.; Yoon, C. S.

2018-01-01

The OPERA experiment was designed to search for ν _{μ } → ν _{τ } oscillations in appearance mode through the direct observation of tau neutrinos in the CNGS neutrino beam. In this paper, we report a study of the multiplicity of charged particles produced in charged-current neutrino interactions in lead. We present charged hadron average multiplicities, their dispersion and investigate the KNO scaling in different kinematical regions. The results are presented in detail in the form of tables that can be used in the validation of Monte Carlo generators of neutrino-lead interactions.

Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy.

PubMed

Müller-Caspary, Knut; Krause, Florian F; Grieb, Tim; Löffler, Stefan; Schowalter, Marco; Béché, Armand; Galioit, Vincent; Marquardt, Dennis; Zweck, Josef; Schattschneider, Peter; Verbeeck, Johan; Rosenauer, Andreas

2017-07-01

This study sheds light on the prerequisites, possibilities, limitations and interpretation of high-resolution differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). We draw particular attention to the well-established DPC technique based on segmented annular detectors and its relation to recent developments based on pixelated detectors. These employ the expectation value of the momentum transfer as a reliable measure of the angular deflection of the STEM beam induced by an electric field in the specimen. The influence of scattering and propagation of electrons within the specimen is initially discussed separately and then treated in terms of a two-state channeling theory. A detailed simulation study of GaN is presented as a function of specimen thickness and bonding. It is found that bonding effects are rather detectable implicitly, e.g., by characteristics of the momentum flux in areas between the atoms than by directly mapping electric fields and charge densities. For strontium titanate, experimental charge densities are compared with simulations and discussed with respect to experimental artifacts such as scan noise. Finally, we consider practical issues such as figures of merit for spatial and momentum resolution, minimum electron dose, and the mapping of larger-scale, built-in electric fields by virtue of data averaged over a crystal unit cell. We find that the latter is possible for crystals with an inversion center. Concerning the optimal detector design, this study indicates that a sampling of 5mrad per pixel is sufficient in typical applications, corresponding to approximately 10×10 available pixels. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

Measurement of Coherent π^{+} Production in Low Energy Neutrino-Carbon Scattering.

PubMed

Abe, K; Andreopoulos, C; Antonova, M; Aoki, S; Ariga, A; Assylbekov, S; Autiero, D; Ban, S; Barbi, M; Barker, G J; Barr, G; Bartet-Friburg, P; Batkiewicz, M; Bay, F; Berardi, V; Berkman, S; Bhadra, S; Blondel, A; Bolognesi, S; Bordoni, S; Boyd, S B; Brailsford, D; Bravar, A; Bronner, C; Buizza Avanzini, M; Calland, R G; Campbell, T; Cao, S; Caravaca Rodríguez, J; Cartwright, S L; Castillo, R; Catanesi, M G; Cervera, A; Cherdack, D; Chikuma, N; Christodoulou, G; Clifton, A; Coleman, J; Collazuol, G; Coplowe, D; Cremonesi, L; Dabrowska, A; De Rosa, G; Dealtry, T; Denner, P F; Dennis, S R; Densham, C; Dewhurst, D; Di Lodovico, F; Di Luise, S; Dolan, S; Drapier, O; Duffy, K E; Dumarchez, J; Dytman, S; Dziewiecki, M; Emery-Schrenk, S; Ereditato, A; Feusels, T; Finch, A J; Fiorentini, G A; Friend, M; Fujii, Y; Fukuda, D; Fukuda, Y; Furmanski, A P; Galymov, V; Garcia, A; Giffin, S G; Giganti, C; Gizzarelli, F; Gonin, M; Grant, N; Hadley, D R; Haegel, L; Haigh, M D; Hamilton, P; Hansen, D; Harada, J; Hara, T; Hartz, M; Hasegawa, T; Hastings, N C; Hayashino, T; Hayato, Y; Helmer, R L; Hierholzer, M; Hillairet, A; Himmel, A; Hiraki, T; Hirota, S; Hogan, M; Holeczek, J; Horikawa, S; Hosomi, F; Huang, K; Ichikawa, A K; Ieki, K; Ikeda, M; Imber, J; Insler, J; Intonti, R A; Irvine, T J; Ishida, T; Ishii, T; Iwai, E; Iwamoto, K; Izmaylov, A; Jacob, A; Jamieson, B; Jiang, M; Johnson, S; Jo, J H; Jonsson, P; Jung, C K; Kabirnezhad, M; Kaboth, A C; Kajita, T; Kakuno, H; Kameda, J; Karlen, D; Karpikov, I; Katori, T; Kearns, E; Khabibullin, M; Khotjantsev, A; Kielczewska, D; Kikawa, T; Kim, H; Kim, J; King, S; Kisiel, J; Knight, A; Knox, A; Kobayashi, T; Koch, L; Koga, T; Konaka, A; Kondo, K; Kopylov, A; Kormos, L L; Korzenev, A; Koshio, Y; Kropp, W; Kudenko, Y; Kurjata, R; Kutter, T; Lagoda, J; Lamont, I; Larkin, E; Lasorak, P; Laveder, M; Lawe, M; Lazos, M; Lindner, T; Liptak, Z J; Litchfield, R P; Li, X; Longhin, A; Lopez, J P; Ludovici, L; Lu, X; Magaletti, L; Mahn, K; Malek, M; Manly, S; Marino, A D; Marteau, J; Martin, J F; Martins, P; Martynenko, S; Maruyama, T; Matveev, V; Mavrokoridis, K; Ma, W Y; Mazzucato, E; McCarthy, M; McCauley, N; McFarland, K S; McGrew, C; Mefodiev, A; Metelko, C; Mezzetto, M; Mijakowski, P; Minamino, A; Mineev, O; Mine, S; Missert, A; Miura, M; Moriyama, S; Mueller, Th A; Murphy, S; Myslik, J; Nakadaira, T; Nakahata, M; Nakamura, K G; Nakamura, K; Nakamura, K D; Nakayama, S; Nakaya, T; Nakayoshi, K; Nantais, C; Nielsen, C; Nirkko, M; Nishikawa, K; Nishimura, Y; Novella, P; Nowak, J; O'Keeffe, H M; Ohta, R; Okumura, K; Okusawa, T; Oryszczak, W; Oser, S M; Ovsyannikova, T; Owen, R A; Oyama, Y; Palladino, V; Palomino, J L; Paolone, V; Patel, N D; Pavin, M; Payne, D; Perkin, J D; Petrov, Y; Pickard, L; Pickering, L; Pinzon Guerra, E S; Pistillo, C; Popov, B; Posiadala-Zezula, M; Poutissou, J-M; Poutissou, R; Przewlocki, P; Quilain, B; Radermacher, T; Radicioni, E; Ratoff, P N; Ravonel, M; Rayner, M A M; Redij, A; Reinherz-Aronis, E; Riccio, C; Rojas, P; Rondio, E; Roth, S; Rubbia, A; Rychter, A; Sacco, R; Sakashita, K; Sánchez, F; Sato, F; Scantamburlo, E; Scholberg, K; Schoppmann, S; Schwehr, J; Scott, M; Seiya, Y; Sekiguchi, T; Sekiya, H; Sgalaberna, D; Shah, R; Shaikhiev, A; Shaker, F; Shaw, D; Shiozawa, M; Shirahige, T; Short, S; Smy, M; Sobczyk, J T; Sobel, H; Sorel, M; Southwell, L; Stamoulis, P; Steinmann, J; Stewart, T; Stowell, P; Suda, Y; Suvorov, S; Suzuki, A; Suzuki, K; Suzuki, S Y; Suzuki, Y; Tacik, R; Tada, M; Takahashi, S; Takeda, A; Takeuchi, Y; Tanaka, H K; Tanaka, H A; Terhorst, D; Terri, R; Thakore, T; Thompson, L F; Tobayama, S; Toki, W; Tomura, T; Touramanis, C; Tsukamoto, T; Tzanov, M; Uchida, Y; Vacheret, A; Vagins, M; Vallari, Z; Vasseur, G; Wachala, T; Wakamatsu, K; Walter, C W; Wark, D; Warzycha, W; Wascko, M O; Weber, A; Wendell, R; Wilkes, R J; Wilking, M J; Wilkinson, C; Wilson, J R; Wilson, R J; Yamada, Y; Yamamoto, K; Yamamoto, M; Yanagisawa, C; Yano, T; Yen, S; Yershov, N; Yokoyama, M; Yoo, J; Yoshida, K; Yuan, T; Yu, M; Zalewska, A; Zalipska, J; Zambelli, L; Zaremba, K; Ziembicki, M; Zimmerman, E D; Zito, M; Żmuda, J

2016-11-04

We report the first measurement of the flux-averaged cross section for charged current coherent π^{+} production on carbon for neutrino energies less than 1.5 GeV, and with a restriction on the final state phase space volume in the T2K near detector, ND280. Comparisons are made with predictions from the Rein-Sehgal coherent production model and the model by Alvarez-Ruso et al., the latter representing the first implementation of an instance of the new class of microscopic coherent models in a neutrino interaction Monte Carlo event generator. We observe a clear event excess above background, disagreeing with the null results reported by K2K and SciBooNE in a similar neutrino energy region. The measured flux-averaged cross sections are below those predicted by both the Rein-Sehgal and Alvarez-Ruso et al.

Measurement of Coherent π+ Production in Low Energy Neutrino-Carbon Scattering

NASA Astrophysics Data System (ADS)

Abe, K.; Andreopoulos, C.; Antonova, M.; Aoki, S.; Ariga, A.; Assylbekov, S.; Autiero, D.; Ban, S.; Barbi, M.; Barker, G. J.; Barr, G.; Bartet-Friburg, P.; Batkiewicz, M.; Bay, F.; Berardi, V.; Berkman, S.; Bhadra, S.; Blondel, A.; Bolognesi, S.; Bordoni, S.; Boyd, S. B.; Brailsford, D.; Bravar, A.; Bronner, C.; Buizza Avanzini, M.; Calland, R. G.; Campbell, T.; Cao, S.; Caravaca Rodríguez, J.; Cartwright, S. L.; Castillo, R.; Catanesi, M. G.; Cervera, A.; Cherdack, D.; Chikuma, N.; Christodoulou, G.; Clifton, A.; Coleman, J.; Collazuol, G.; Coplowe, D.; Cremonesi, L.; Dabrowska, A.; De Rosa, G.; Dealtry, T.; Denner, P. F.; Dennis, S. R.; Densham, C.; Dewhurst, D.; Di Lodovico, F.; Di Luise, S.; Dolan, S.; Drapier, O.; Duffy, K. E.; Dumarchez, J.; Dytman, S.; Dziewiecki, M.; Emery-Schrenk, S.; Ereditato, A.; Feusels, T.; Finch, A. J.; Fiorentini, G. A.; Friend, M.; Fujii, Y.; Fukuda, D.; Fukuda, Y.; Furmanski, A. P.; Galymov, V.; Garcia, A.; Giffin, S. G.; Giganti, C.; Gizzarelli, F.; Gonin, M.; Grant, N.; Hadley, D. R.; Haegel, L.; Haigh, M. D.; Hamilton, P.; Hansen, D.; Harada, J.; Hara, T.; Hartz, M.; Hasegawa, T.; Hastings, N. C.; Hayashino, T.; Hayato, Y.; Helmer, R. L.; Hierholzer, M.; Hillairet, A.; Himmel, A.; Hiraki, T.; Hirota, S.; Hogan, M.; Holeczek, J.; Horikawa, S.; Hosomi, F.; Huang, K.; Ichikawa, A. K.; Ieki, K.; Ikeda, M.; Imber, J.; Insler, J.; Intonti, R. A.; Irvine, T. J.; Ishida, T.; Ishii, T.; Iwai, E.; Iwamoto, K.; Izmaylov, A.; Jacob, A.; Jamieson, B.; Jiang, M.; Johnson, S.; Jo, J. H.; Jonsson, P.; Jung, C. K.; Kabirnezhad, M.; Kaboth, A. C.; Kajita, T.; Kakuno, H.; Kameda, J.; Karlen, D.; Karpikov, I.; Katori, T.; Kearns, E.; Khabibullin, M.; Khotjantsev, A.; Kielczewska, D.; Kikawa, T.; Kim, H.; Kim, J.; King, S.; Kisiel, J.; Knight, A.; Knox, A.; Kobayashi, T.; Koch, L.; Koga, T.; Konaka, A.; Kondo, K.; Kopylov, A.; Kormos, L. L.; Korzenev, A.; Koshio, Y.; Kropp, W.; Kudenko, Y.; Kurjata, R.; Kutter, T.; Lagoda, J.; Lamont, I.; Larkin, E.; Lasorak, P.; Laveder, M.; Lawe, M.; Lazos, M.; Lindner, T.; Liptak, Z. J.; Litchfield, R. P.; Li, X.; Longhin, A.; Lopez, J. P.; Ludovici, L.; Lu, X.; Magaletti, L.; Mahn, K.; Malek, M.; Manly, S.; Marino, A. D.; Marteau, J.; Martin, J. F.; Martins, P.; Martynenko, S.; Maruyama, T.; Matveev, V.; Mavrokoridis, K.; Ma, W. Y.; Mazzucato, E.; McCarthy, M.; McCauley, N.; McFarland, K. S.; McGrew, C.; Mefodiev, A.; Metelko, C.; Mezzetto, M.; Mijakowski, P.; Minamino, A.; Mineev, O.; Mine, S.; Missert, A.; Miura, M.; Moriyama, S.; Mueller, Th. A.; Murphy, S.; Myslik, J.; Nakadaira, T.; Nakahata, M.; Nakamura, K. G.; Nakamura, K.; Nakamura, K. D.; Nakayama, S.; Nakaya, T.; Nakayoshi, K.; Nantais, C.; Nielsen, C.; Nirkko, M.; Nishikawa, K.; Nishimura, Y.; Novella, P.; Nowak, J.; O'Keeffe, H. M.; Ohta, R.; Okumura, K.; Okusawa, T.; Oryszczak, W.; Oser, S. M.; Ovsyannikova, T.; Owen, R. A.; Oyama, Y.; Palladino, V.; Palomino, J. L.; Paolone, V.; Patel, N. D.; Pavin, M.; Payne, D.; Perkin, J. D.; Petrov, Y.; Pickard, L.; Pickering, L.; Pinzon Guerra, E. S.; Pistillo, C.; Popov, B.; Posiadala-Zezula, M.; Poutissou, J.-M.; Poutissou, R.; Przewlocki, P.; Quilain, B.; Radermacher, T.; Radicioni, E.; Ratoff, P. N.; Ravonel, M.; Rayner, M. A. M.; Redij, A.; Reinherz-Aronis, E.; Riccio, C.; Rojas, P.; Rondio, E.; Roth, S.; Rubbia, A.; Rychter, A.; Sacco, R.; Sakashita, K.; Sánchez, F.; Sato, F.; Scantamburlo, E.; Scholberg, K.; Schoppmann, S.; Schwehr, J.; Scott, M.; Seiya, Y.; Sekiguchi, T.; Sekiya, H.; Sgalaberna, D.; Shah, R.; Shaikhiev, A.; Shaker, F.; Shaw, D.; Shiozawa, M.; Shirahige, T.; Short, S.; Smy, M.; Sobczyk, J. T.; Sobel, H.; Sorel, M.; Southwell, L.; Stamoulis, P.; Steinmann, J.; Stewart, T.; Stowell, P.; Suda, Y.; Suvorov, S.; Suzuki, A.; Suzuki, K.; Suzuki, S. Y.; Suzuki, Y.; Tacik, R.; Tada, M.; Takahashi, S.; Takeda, A.; Takeuchi, Y.; Tanaka, H. K.; Tanaka, H. A.; Terhorst, D.; Terri, R.; Thakore, T.; Thompson, L. F.; Tobayama, S.; Toki, W.; Tomura, T.; Touramanis, C.; Tsukamoto, T.; Tzanov, M.; Uchida, Y.; Vacheret, A.; Vagins, M.; Vallari, Z.; Vasseur, G.; Wachala, T.; Wakamatsu, K.; Walter, C. W.; Wark, D.; Warzycha, W.; Wascko, M. O.; Weber, A.; Wendell, R.; Wilkes, R. J.; Wilking, M. J.; Wilkinson, C.; Wilson, J. R.; Wilson, R. J.; Yamada, Y.; Yamamoto, K.; Yamamoto, M.; Yanagisawa, C.; Yano, T.; Yen, S.; Yershov, N.; Yokoyama, M.; Yoo, J.; Yoshida, K.; Yuan, T.; Yu, M.; Zalewska, A.; Zalipska, J.; Zambelli, L.; Zaremba, K.; Ziembicki, M.; Zimmerman, E. D.; Zito, M.; Żmuda, J.; T2K Collaboration

2016-11-01

We report the first measurement of the flux-averaged cross section for charged current coherent π+ production on carbon for neutrino energies less than 1.5 GeV, and with a restriction on the final state phase space volume in the T2K near detector, ND280. Comparisons are made with predictions from the Rein-Sehgal coherent production model and the model by Alvarez-Ruso et al., the latter representing the first implementation of an instance of the new class of microscopic coherent models in a neutrino interaction Monte Carlo event generator. We observe a clear event excess above background, disagreeing with the null results reported by K2K and SciBooNE in a similar neutrino energy region. The measured flux-averaged cross sections are below those predicted by both the Rein-Sehgal and Alvarez-Ruso et al. models.

32 CFR 220.8 - Reasonable charges.

Code of Federal Regulations, 2012 CFR

2012-07-01

... pass through payments). Additional adjustments are made for long stay outlier cases. Like the CHAMPUS... diagnosis involved. The average charge per case shall be published annually as an inpatient standardized... standardized amounts, one for large urban, other urban/rural, and overseas area, utilizing the same...

Quasi-superradiant soliton state of matter in quantum metamaterials

NASA Astrophysics Data System (ADS)

Asai, Hidehiro; Kawabata, Shiro; Savel'ev, Sergey E.; Zagoskin, Alexandre M.

2018-02-01

Strong interaction of a system of quantum emitters (e.g., two-level atoms) with electromagnetic field induces specific correlations in the system accompanied by a drastic increase of emitted radiation (superradiation or superfluorescence). Despite the fact that since its prediction this phenomenon was subject to a vigorous experimental and theoretical research, there remain open question, in particular, concerning the possibility of a first order phase transition to the superradiant state from the vacuum state. In systems of natural and charge-based artificial atom this transition is prohibited by "no-go" theorems. Here we demonstrate numerically and confirm analytically a similar transition in a one-dimensional quantum metamaterial - a chain of artificial atoms (qubits) strongly interacting with classical electromagnetic fields in a transmission line. The system switches from vacuum state to the quasi-superradiant (QS) phase with one or several magnetic solitons and finite average occupation of qubit excited states along the transmission line. A quantum metamaterial in the QS phase circumvents the "no-go" restrictions by considerably decreasing its total energy relative to the vacuum state by exciting nonlinear electromagnetic solitons.

Controlling excited-state contamination in nucleon matrix elements

DOE PAGES

Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy; ...

2016-06-08

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1-flavor ensemble with lattices of size 32 3 × 64 generated using the rational hybrid Monte Carlo algorithm at a = 0.081 fm and with M π = 312 MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a 2-state fit to data at multiple values of the source-sink separationmore » t sep. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost effectiveness. As a result, a detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of t sep needed to demonstrate convergence of the isovector charges of the nucleon to the t sep → ∞ estimates is presented.« less

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.

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.

Evaluation program for secondary spacecraft cells: Initial evaluation tests of General Electric Company 40.0 ampere-hour nickel-cadmium spacecraft cells for the tracking data relay satellite system

NASA Technical Reports Server (NTRS)

Harkness, J. D.

1978-01-01

Five cells provided by NASA's Goddard Space Flight Center were evaluated at room temperature and pressure (25 C plus or minus 2 C) with discharges at the 2 hour rate. Measurements of the cell containers following test, indicated an average increase of .006 inches at the plate thickness. Average end of charge voltages and pressures, and capacity output in ampere hours were determined. Three cells exceeded the voltage requirements of 1.52 volts during both c/10 charges at 20 C. All cells exceeded the voltage requirement of 1.52 volts during the 0 C overcharge test, although their end charges were below 1.50 volts. The pressure requirement of 65 psia was exceeded by both pressure transducer cells during c/10 charges at 25 C and 20 C and also during the 0 C overcharge test. The cells with pressure transducers reached a pressure of 20 psia before reaching the voltage limit of 1.550 volts during the pressure versus capacity test, and exhibited a pressure decay of 2 psia during the last 30 minutes of the 1 hour open circuit stand. Average capacity was 51.3 ampere hours.

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

In situ measurements and radar observations of a severe storm - Electricity, kinematics, and precipitation

NASA Technical Reports Server (NTRS)

Byrne, G. J.; Few, A. A.; Stewart, M. F.; Conrad, A. C.; Torczon, R. L.

1987-01-01

Electric field measurements made inside a multicell severe storm in Oklahoma in 1983 with a balloon-borne instrument are presented. The properties of the electric charge regions, such as altitude, thickness, and charge concentrations, are studied. These measurements are analzyed with meteorological measurements of temperature and humidity, and balloon tracking and radar observations. The relation between the electric charge structure and the precipitation and kinematic features of the storm is examined. The data reveal that the cell exhibits a bipolar charge structure with negative charge below positive charge. The average charge concentrations of the two regions are estimated as -1.2 and 0.15 nC/cu m, respectively; the upper positive charge is about 6 km in vertical extent, and the lower negative charge is less than 1 km in vertical extent.

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

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.

Characterization of the surface charge distribution on kaolinite particles using high resolution atomic force microscopy

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Zhao, Cunlu; Klaassen, Aram; van den Ende, Dirk; Mugele, Frieder; Siretanu, Igor

2016-02-01

Most solid surfaces, in particular clay minerals and rock surfaces, acquire a surface charge upon exposure to an aqueous environment due to adsorption and/or desorption of ionic species. Macroscopic techniques such as titration and electrokinetic measurements are commonly used to determine the surface charge and ζ -potential of these surfaces. However, because of the macroscopic averaging character these techniques cannot do justice to the role of local heterogeneities on the surfaces. In this work, we use dynamic atomic force microscopy (AFM) to determine the distribution of surface charge on the two (gibbsite-like and silica-like) basal planes of kaolinite nanoparticles immersed in aqueous electrolyte with a lateral resolution of approximately 30 nm. The surface charge density is extracted from force-distance curves using DLVO theory in combination with surface complexation modeling. While the gibbsite-like and the silica-like facet display on average positive and negative surface charge values as expected, our measurements reveal lateral variations of more than a factor of two on seemingly atomically smooth terraces, even if high resolution AFM images clearly reveal the atomic lattice on the surface. These results suggest that simple surface complexation models of clays that attribute a unique surface chemistry and hence homogeneous surface charge densities to basal planes may miss important aspects of real clay surfaces.

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.

Effect of particle- and specimen-level transport on product state in compacted-powder combustion synthesis and thermal debinding of polymers from molded powders

NASA Astrophysics Data System (ADS)

Oliveira, Amir Antonio Martins

The existence of large gradients within particles and fast temporal variations in the temperature and species concentration prevents the use of asymptotic approximations for the closure of the volume-averaged, specimen-level formulations. In this case a solution of the particle-level transport problem is needed to complement the specimen-level volume-averaged equations. Here, the use of combined specimen-level and particle-level models for transport in reactive porous media is demonstrated with two examples. For the gasless compacted-powder combustion synthesis, a three-scale model is developed. The specimen-level model is based on the volume-averaged equations for species and temperature. Local thermal equilibrium is assumed and the macroscopic mass diffusion and convection fluxes are neglected. The particle-level model accounts for the interparticle diffusion (i.e., the liquid migration from liquid-rich to liquid-lean regions) and the intraparticle diffusion (i.e., the species mass diffusion within the product layer formed at the surface of the high melting temperature component). It is found that the interparticle diffusion controls the extent of conversion to the final product, the maximum temperature, and to a smaller degree the propagation velocity. The intraparticle diffusion controls the propagation velocity and to a smaller degree the maximum temperature. The initial stages of thermal degradation of EVA from molded specimens is modeled using volume-averaged equations for the species and empirical models for the kinetics of the thermal degradation, the vapor-liquid equilibrium, and the diffusion coefficient of acetic acid in the molten polymer. It is assumed that a bubble forms when the partial pressure of acetic acid exceeds the external ambient pressure. It is found that the removal of acetic acid is characterized by two regimes, a pre-charge dominated regime and a generation dominated regime. For the development of an optimum debinding schedule, the heating rate is modulated to avoid bubbling, while the concentration and temperature follow the bubble-point line for the mixture. The results show a strong dependence on the presence of a pre-charge. It is shown that isolation of the pre-charge effect by using temporary lower heating rates results in an optimum schedule for which the process time is reduced by over 70% when compared to a constant heating rate schedule.

Characterization of In-Use Medium Duty Electric Vehicle Driving and Charging Behavior: Preprint

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

Duran, A.; Ragatz, A.; Prohaska, R.

2014-11-01

The U.S. Department of Energy's American Recovery and Reinvestment Act (ARRA) deployment and demonstration projects are helping to commercialize technologies for all-electric vehicles (EVs). Under the ARRA program, data from Smith Electric and Navistar medium duty EVs have been collected, compiled, and analyzed in an effort to quantify the impacts of these new technologies. Over a period of three years, the National Renewable Energy Laboratory (NREL) has compiled data from over 250 Smith Newton EVs for a total of over 100,000 days of in-use operation. Similarly, data have been collected from over 100 Navistar eStar vehicles, with over 15,000 operatingmore » days having been analyzed. NREL has analyzed a combined total of over 4 million kilometers of driving and 1 million hours of charging data for commercial operating medium duty EVs. In this paper, the authors present an overview of medium duty EV operating and charging behavior based on in-use data collected from both Smith and Navistar vehicles operating in the United States. Specifically, this paper provides an introduction to the specifications and configurations of the vehicles examined; discusses the approach and methodology of data collection and analysis, and presents detailed results regarding daily driving and charging behavior. In addition, trends observed over the course of multiple years of data collection are examined, and conclusions are drawn about early deployment behavior and ongoing adjustments due to new and improving technology. Results and metrics such as average daily driving distance, route aggressiveness, charging frequency, and liter per kilometer diesel equivalent fuel consumption are documented and discussed.« less

New Supercharging Reagents Produce Highly Charged Protein Ions in Native Mass Spectrometry

PubMed Central

Going, Catherine C.; Xia, Zijie; Williams, Evan R.

2015-01-01

The effectiveness of two new supercharging reagents for producing highly charged ions by electrospray ionization (ESI) from aqueous solutions in which proteins have native structures and reactivities were investigated. In aqueous solution, 2-thiophenone and 4-hydroxymethyl-1,3-dioxolan-2-one (HD) at a concentration of 2% by volume can increase the average charge of cytochrome c and myoglobin by up to 163%, resulting in even higher charge states than those that are produced from water/methanol/acid solutions in which proteins are denatured. The greatest extent of supercharging occurs in pure water, but these supercharging reagents are also highly effective in aqueous solutions containing 200 mM ammonium acetate buffer commonly used in native mass spectrometry (MS). These reagents are less effective supercharging reagents than m-nitrobenzyl alcohol (m-NBA) and propylene carbonate (PC) when ions are formed from water/methanol/acid. The extent to which loss of the heme group from myoglobin occurs is related to the extent of supercharging. Results from guanidine melts of cytochrome c monitored with tryptophan fluorescence show that the supercharging reagents PC, sulfolane and HD are effective chemical denaturants in solution. These results provide additional evidence for the role of protein structural changes in the electrospray droplet as the primary mechanism for supercharging with these reagents in native MS. These results also demonstrate that for at least some proteins, the formation of highly charged ions from native MS is no longer a significant barrier for obtaining structural information using conventional tandem MS methods. PMID:26421324

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.

Entanglement across extended random defects in the XX spin chain

NASA Astrophysics Data System (ADS)

Juhász, Róbert

2017-08-01

We study the half-chain entanglement entropy in the ground state of the spin-1/2 XX chain across an extended random defect, where the strength of disorder decays with the distance from the interface algebraically as Δ_l∼ l-κ . In the whole regime κ≥slant 0 , the average entanglement entropy is found to increase logarithmically with the system size L as S_L≃\\frac{c_eff(κ)}{6}\\ln L+const , where the effective central charge c_eff(κ) depends on κ. In the regime κ<1/2 , where the extended defect is a relevant perturbation, the strong-disorder renormalization group method gives c_eff(κ)=(1-2κ)\\ln2 , while, in the regime κ≥slant 1/2 , where the extended defect is irrelevant in the bulk, numerical results indicate a non-zero effective central charge, which increases with κ. The variation of c_eff(κ) is thus found to be non-monotonic and discontinuous at κ=1/2 .

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

Spatial localization of excitons and charge carriers in hybrid perovskite thin films

DOE PAGES

Simpson, Mary Jane; Doughty, Benjamin; Yang, Bin; ...

2015-07-21

The fundamental photophysics underlying the remarkably high power conversion efficiency of organic-inorganic hybrid perovskite-based solar cells has been increasingly studied using complementary spectroscopic techniques. The spatially heterogeneous polycrystalline morphology of the photoactive layers owing to the presence of distinct crystalline grains has been generally neglected in optical measurements and therefore the reported results are typically averaged over hundreds or even thousands of such grains. Here, we apply femtosecond transient absorption microscopy to spatially and temporally probe ultrafast electronic excited-state dynamics in pristine methylammonium lead tri-iodide (CH 3NH 3PbI 3) thin films and composite structures. We found that the electronic excited-statemore » relaxation kinetics are extremely sensitive to the sample location probed, which was manifested by position-dependent decay timescales and transient signals. As a result, analysis of transient absorption kinetics acquired at distinct spatial positions enabled us to identify contributions of excitons and free charge carriers.« less

Consideration of Cost of Care in Pediatric Emergency Transfer-An Opportunity for Improvement.

PubMed

Gattu, Rajender K; De Fee, Ann-Sophie; Lichenstein, Richard; Teshome, Getachew

2017-05-01

Pediatric interhospital transfers are an economic burden to the health care, especially when deemed unnecessary. Physicians may be unaware of the cost implications of pediatric emergency transfers. A cost analysis may be relevant to reduce cost. To characterize children transferred from outlying emergency departments (EDs) to pediatric ED (PED) with a specific focus on transfers who were discharged home in 12 hours or less after transfer without intervention in PED and analyze charges associated with them. Charts of 352 patients (age, 0-18 years) transferred from 31 outlying EDs to PED during July 2009 to June 2010 were reviewed. Data were collected on the range, unit charge and volume of services provided in PED, length of stay, and final disposition. The average charge per patient transfer is calculated based on unit charge times total service units per 1000 patients per year and divided by 1000. Hospital charges were divided into fixed and variable. Of 352 patients transferred, 108 (30.7%) were admitted to pediatric inpatient service, 42 (11.9%) to intensive care; 36 (10.2%) went to the operating room, and 166 (47.2%) were discharged home. The average hospital charge per transfer was US $4843. Most (89%) of the charges were fixed, and 11% were variable. One hundred one (28.7%) patients were discharged home from PED in 12 hours or less without intervention. The hospital charges for these transfers were US $489,143. Significant number of transfers was discharged 12 hours or less without any additional intervention in PED. Fixed charges contribute to majority of total charges. Cost saving can be achieved by preventing unnecessary transfer.

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

The SLD Collaboration

Average charged multiplicities have been measured separately for {ital b, c} and light quark ({ital u, d, s}) events from Z{sup 0} decays at SLD. Impact parameters of charged tracks were used to select enriched samples of {ital b} and light quark events. We measured the charged multiplicities: {bar {ital n}}{sub {ital uds}} = 19.80 {+-} 0.09 ({ital stat}) {+-} 0.57 ({ital syst}), {bar {ital n}}{sub {ital c}} = 21.17 {+-} 0.44 ({ital stat}) {+-} 1.01 ({ital syst}) and {bar {ital n}}{sub {ital b}}{+-}23.14 {+-} 0.09 ({ital stat}) {+-} 1.03 ({ital syst}) (PRELIMINARY), from which we derived the differences betweenmore » the total average charged multiplicities of {ital c} or {ital b} quark events and light quark events: {delta}{bar {ital n}}{sub {ital c}} = 1.37 {+-} 0.45 ({ital stat}) {+-} 0.86 ({ital syst}) and {delta}{bar {ital n}}{sub {ital b}} = 3.34 {+-} 0. 13 ({ital stat}) {+-} 0.77 ({ital syst}) (PRELIMINARY). We compared these measurements with those at lower center-of-mass energies and with QCD predictions.« less

Rapid calculation of accurate atomic charges for proteins via the electronegativity equalization method.

PubMed

Ionescu, Crina-Maria; Geidl, Stanislav; Svobodová Vařeková, Radka; Koča, Jaroslav

2013-10-28

We focused on the parametrization and evaluation of empirical models for fast and accurate calculation of conformationally dependent atomic charges in proteins. The models were based on the electronegativity equalization method (EEM), and the parametrization procedure was tailored to proteins. We used large protein fragments as reference structures and fitted the EEM model parameters using atomic charges computed by three population analyses (Mulliken, Natural, iterative Hirshfeld), at the Hartree-Fock level with two basis sets (6-31G*, 6-31G**) and in two environments (gas phase, implicit solvation). We parametrized and successfully validated 24 EEM models. When tested on insulin and ubiquitin, all models reproduced quantum mechanics level charges well and were consistent with respect to population analysis and basis set. Specifically, the models showed on average a correlation of 0.961, RMSD 0.097 e, and average absolute error per atom 0.072 e. The EEM models can be used with the freely available EEM implementation EEM_SOLVER.

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

Comparative charge analysis of one- and two-level lumbar total disc arthroplasty versus circumferential lumbar fusion.

PubMed

Levin, David A; Bendo, John A; Quirno, Martin; Errico, Thomas; Goldstein, Jeffrey; Spivak, Jeffrey

2007-12-01

This is a retrospective, independent study comparing 2 groups of patients treated surgically for discogenic low back pain associated with degenerative disc disease (DDD) in the lumbosacral spine. To compare the surgical and hospitalization charges associated with 1- and 2-level lumbar total disc replacement and circumferential lumbar fusion. Reported series of lumbar total disc replacement have been favorable. However, economic aspects of lumbar total disc replacement (TDR) have not been published or studied. This information is important considering the recent widespread utilization of new technologies. Recent studies have demonstrated comparable short-term clinical results between TDR and lumbar fusion recipients. Relative charges may be another important indicator of the most appropriate procedure. We report a hospital charge-analysis comparing ProDisc lumbar disc replacement with circumferential fusion for discogenic low back pain. In a cohort of 53 prospectively selected patients with severe, disabling back pain and lumbar disc degeneration, 36 received Synthes ProDisc TDR and 17 underwent circumferential fusion for 1- and 2-level degenerative disc disease between L3 and S1. Randomization was performed using a 2-to-1 ratio of ProDisc recipients to control spinal fusion recipients. Charge comparisons, including operating room charges, inpatient hospital charges, and implant charges, were made from hospital records using inflation-corrected 2006 U.S. dollars. Operating room times, estimated blood loss, and length of stay were obtained from hospital records as well. Surgeon and anesthesiologist fees were, for the purposes of comparison, based on Medicare reimbursement rates. Statistical analysis was performed using a 2-tailed Student t test. For patients with 1-level disease, significant differences were noted between the TDR and fusion control group. The mean total charge for the TDR group was $35,592 versus $46,280 for the fusion group (P = 0.0018). Operating room charges were $12,000 and $18,950, respectively, for the TDR and fusion groups (P < 0.05). Implant charges averaged $13,990 for the fusion group, which is slightly higher than the $13,800 for the ProDisc (P = 0.9). Estimated blood loss averaged 794 mL in the fusion group versus 412 mL in the TDR group (P = 0.0058). Mean OR minutes averaged 344 minutes for the fusion group and 185 minutes for the TDR (P < 0.05) Mean length of stay was 4.78 days for fusion versus 4.32 days for TDR (P = 0.394). For patients with 2-level disease, charges were similar between the TDR and fusion groups. The mean total charge for the 2-level TDR group was $55,524 versus $56,823 for the fusion group (P = 0.55). Operating room charges were $15,340 and $20,560, respectively, for the TDR and fusion groups (P = 0.0003). Surgeon fees and anesthesiologist charges based on Medicare reimbursement rates were $5857 and $525 for the fusion group, respectively, versus $2826 and $331 for the TDR group (P < 0.05 for each). Implant charges were significantly lower for the fusion group (mean, $18,460) than those for 2-level Synthes ProDisc ($27,600) (P < 0.05). Operative time averaged 387 minutes for fusion versus 242 minutes for TDR (P < 0.0001). EBL and length of stay were similar. Patients undergoing 1- and 2-level ProDisc total disc replacement spent significantly less time in the OR and had less EBL than controls. Charges were significantly lower for TDR compared with circumferential fusions in the 1-level patient group, while charges were similar in the 2-level group.

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.

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

40 CFR 62.14455 - What if my HMIWI goes outside of a parameter limit?

Code of Federal Regulations, 2010 CFR

2010-07-01

... temperature (3-hour rolling average) simultaneously The PM, CO, and dioxin/furan emission limits. (c) Except..., daily average for batch HMIWI), and below the minimum dioxin/furan sorbent flow rate (3-hour rolling average) simultaneously The dioxin/furan emission limit. (3) Operates above the maximum charge rate (3...

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.

Volume Averaging Study of the Capacitive Deionization Process in Homogeneous Porous Media

DOE PAGES

Gabitto, Jorge; Tsouris, Costas

2015-05-05

Ion storage in porous electrodes is important in applications such as energy storage by supercapacitors, water purification by capacitive deionization, extraction of energy from a salinity difference and heavy ion purification. In this paper, a model is presented to simulate the charge process in homogeneous porous media comprising big pores. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without faradaic reactions or specific adsorption of ions. A volume averaging technique is used to derive the averaged transport equations in the limit of thin electrical double layers. Transport between the electrolyte solution and the chargedmore » wall is described using the Gouy–Chapman–Stern model. The effective transport parameters for isotropic porous media are calculated solving the corresponding closure problems. Finally, the source terms that appear in the average equations are calculated using numerical computations. An alternative way to deal with the source terms is proposed.« less

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.

Effects of rutin on the physicochemical properties of skin fibroblasts membrane disruption following UV radiation.

PubMed

Dobrzyńska, Izabela; Gęgotek, Agnieszka; Gajko, Ewelina; Skrzydlewska, Elżbieta; Figaszewski, Zbigniew A

2018-02-25

Human skin provides the body's first line of defense against physical and environmental assaults. This study sought to determine how rutin affects the membrane electrical properties, sialic acid content, and lipid peroxidation levels of fibroblast membranes after disruption by ultraviolet (UV) radiation. Changes in cell function may affect the basal electrical surface properties of cell membranes, and changes can be detected by electrokinetic measurements. The charge density of the fibroblast membrane surface was measured as a function of pH. A four-component equilibrium model was used to describe the interaction between ions in solution and ions on the membrane surface. Agreement was found between experimental and theoretical charge variation curves of fibroblast cells between pH 2.5 and 8. Sialic acid content was determined by Svennerholm's resorcinol method, and lipid peroxidation was estimated by measuring the malondialdehyde level. Compared to untreated cells, ultraviolet A (UVA)- or ultraviolet B (UVB)-treated skin cell membranes exhibited higher concentrations of acidic functional groups and higher average association constants with hydroxyl ions, but lower average association constants with hydrogen ions. Moreover, our results showed that UVA and UVB radiation is associated with increased levels of sialic acid and lipid peroxidation products in fibroblasts. Rutin protected cells from some deleterious UV-associated membrane changes, including changes in electrical properties, oxidative state, and biological functions. Copyright © 2018 Elsevier B.V. All rights reserved.

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.

Management of foreign bodies obstructing the airway in children.

PubMed

Shah, Rahul K; Patel, Anju; Lander, Lina; Choi, Sukgi S

2010-04-01

To review national trends in the management of pediatric airway foreign bodies (A-FBs) and esophageal foreign bodies (E-FBs) that obstruct the airway. Retrospective review using a national pediatric data set (Kids' Inpatient Database). Pediatric patients admitted across the United States during 2003. The Kids' Inpatient Database 2003 samples 2 984 129 pediatric discharges from 3438 hospitals in 36 states. The Kids' Inpatient Database 2003 was analyzed for A-FBs and E-FBs (International Classification of Diseases, Ninth Revision, Clinical Modification codes E911 and E912) in patients 20 years or younger, and weighted data are presented to facilitate national estimates. A total of 2771 patients (59% male) were admitted for an A-FB or an E-FB that was obstructing the airway. The mean (SE) age of the patients was 3.5 (0.17) years; 55% were younger than 2 years. The foreign bodies were classified as food (42%; mean age, 2.5 years) or other (58%; mean age, 4.3 years). The average length of stay was 6.4 days (median [SE], 1.5 [0.6] days), and the average number of procedures was 2.4 (median [SE], 1.3 [0.1] procedures). Seventy-one percent of the patients were treated at teaching hospitals. The mean (SD) total charges were $34 652 ($3543), with regional variation (P < .001). Children's hospitals (28%) had higher mean total charges than nonchildren's hospitals (P = .03); 3.4% of admissions died in the hospital (mean [SE] age, 4.6 [0.9] years), with an average length of stay of 11.7 (SE, 2.7) days and an average of 6.2 (SE, 0.7) procedures. Bronchoscopy (52%), esophagoscopy (28%), and tracheotomy (1.7%) were the primary procedures performed. The rates of positive FB findings for bronchoscopy and esophagoscopy were 37% and 46%, respectively. Pediatric A-FBs and E-FBs that obstruct the airway occur infrequently. Most of the patients are referred to teaching institutions. Among patients who were admitted with a diagnosis of airway obstruction from an A-FB or an E-FB, the rates of positive findings at surgery were 37% and 46%, respectively. A surprisingly high mortality rate was noted. Alternative education measures should be considered to train physicians in the management of this infrequent, potentially lethal condition.

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.

Acceleration of charged particles by crossed cyclotron waves, Resonant Moments Method

NASA Astrophysics Data System (ADS)

Ponomarjov, M.; Carati, D.

A mechanism for enhanced acceleration of charged particles in crossing radio frequency or micro waves propagating at different angles with respect to an external magnetic field is investigated. This mechanism consists in introducing low amplitude secondary waves in order to improve the parallel momentum transfer from the high amplitude primary wave to charged particles. The use of two parallel counter-propagating waves has recently been considered (Gell and Nakach, 1999) and numerical tests (Louies et al, 2001) have shown that the two-wave scheme may lead to higher averaged parallel velocity. On the other hand, it has been concluded that it may be more effective to accelerate electrons when the waves propagate obliquely to the external magnetic field (Karimabadi and Angelopoulos 1989, Cohen et al 1991). The idea considered here is similar although no constraint is imposed on the refraction indices of the primary and the secondary waves. The theoretical analysis of the acceleration mechanism is based on the Resonance Moments Method (RMM) in which moments of the velocity distribution are computed by using an averages over the resonant layers (RL)i only instead of a complete phase-space average. The quantities obtained using this approach, referred to as Resonant Moments (RM), suggest the existence of optimal angles of propagation for the primary and secondary waves as long as the maximization of the parallel flux of charged particles is considered. The fraction of charged particles that are close to the resonance conditions, that correspond to the RL, becomes then as important as the time these particles remain resonant. The secondary wave tends to maintain a pseudo-equilibrium velocity distribution by continuously re-filling the RL. Our suggestions are confirmed by direct numerical simulations for a populations of 105 relativistic electrons. The secondary wave yields a clear increase (up to one order of magnitude) of the average parallel velocity of the particles. It is a quite promising result since the amplitude of the secondary wave is ten times lower the one of the first wave. Qualitative results give one of the enhanced acceleration mechanisms of the charged particles (including relativistic electrons in planetary magnetospheres) by the crossed cyclotron waves in ambient magnetic field.

A direct measurement of the charge states of energetic iron emitted by the sun

NASA Technical Reports Server (NTRS)

Gloeckler, G.; Sciambi, R. K.; Fan, C. Y.; Hovestadt, D.

1976-01-01

The charge states of energetic iron have been measured directly for the first time in a solar particle event. In the energy interval 0.01 to 0.25 MeV per nucleon, iron is not fully stripped but has a mean ionization state of 11.6. This value is remarkably similar to the mean ionization state of iron in the quiet solar wind and suggests that the charge states were "frozen-in" at a coronal temperature of approximately 1,500,000 K.

Nuclear physics of reverse electron flow at pulsar polar caps

NASA Astrophysics Data System (ADS)

Jones, P. B.

2010-01-01

Protons produced in electromagnetic showers formed by the reverse electron flux are usually the largest component of the time-averaged polar cap open magnetic flux line current in neutron stars with positive corotational charge density. Although the electric field boundary conditions in the corotating frame are time independent, instabilities on both medium and short time-scales cause the current to alternate between states in which either protons or positrons and ions form the major component. These properties are briefly discussed in relation to nulling and microstructure in radio pulsars, pair production in an outer gap and neutron stars with high surface temperatures.

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%.

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.

Analysis of variation in charges and prices paid for vaginal and caesarean section births: a cross-sectional study

PubMed Central

Hsia, Renee Y; Akosa Antwi, Yaa; Weber, Ellerie

2014-01-01

Objective To examine the between-hospital variation of charges and discounted prices for uncomplicated vaginal and caesarean section deliveries, and to determine the institutional and market-level characteristics that influence adjusted charges. Design, setting and participants Using data from the California Office of Statewide Health Planning and Development (OSHPD), we conducted a cross-sectional study of all privately insured patients admitted to California hospitals in 2011 for uncomplicated vaginal delivery (diagnosis-related group (DRG) 775) or uncomplicated caesarean section (DRG 766). Outcome measures Hospital charges and discounted prices adjusted for each patient's clinical and demographic characteristics. Results We analysed 76 766 vaginal deliveries and 32 660 caesarean sections in California in 2011. After adjusting for patient demographic and clinical characteristics, we found that the average California woman could be charged as little as US$3296 or as much as US$37 227 for a vaginal delivery, and US$8312–US$70 908 for a caesarean section depending on which hospital she was admitted to. The discounted prices were, on an average, 37% of the charges. We found that hospitals in markets with middling competition had significantly lower adjusted charges for vaginal deliveries, while hospitals with higher wage indices and casemixes, as well as for-profit hospitals, had higher adjusted charges. Hospitals in markets with higher uninsurance rates charged significantly less for caesarean sections, while for-profit hospitals and hospitals with higher wage indices charged more. However, the institutional and market-level factors included in our models explained only 35–36% of the between-hospital variation in charges. Conclusions These results indicate that charges and discounted prices for two common, relatively homogeneous diagnosis groups—uncomplicated vaginal delivery and caesarean section—vary widely between hospitals and are not well explained by observable patient or hospital characteristics. PMID:24435892

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

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

Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1 flavor ensemble with lattices of sizemore » $$32^3 \\times 64$$ generated using the rational hybrid Monte Carlo algorithm at $a=0.081$~fm and with $$M_\\pi=312$$~MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a two-state fit to data at multiple values of the source-sink separation $$t_{\\rm sep}$$. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost-effectiveness. A detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of $$t_{\\rm sep}$$ needed to demonstrate convergence of the isovector charges of the nucleon to the $$t_{\\rm sep} \\to \\infty $$ estimates is presented.« less

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

Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1-flavor ensemble with lattices of size 32 3 × 64 generated using the rational hybrid Monte Carlo algorithm at a = 0.081 fm and with M π = 312 MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a 2-state fit to data at multiple values of the source-sink separationmore » t sep. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost effectiveness. As a result, a detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of t sep needed to demonstrate convergence of the isovector charges of the nucleon to the t sep → ∞ estimates is presented.« less

Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

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

Zhao, Jifei; Lu, Xiangyang, E-mail: xylu@pku.edu.cn; Yang, Ziqin

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. Themore » self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.« less

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.

HBT correlations and charge ratios in multiple production of pions

NASA Astrophysics Data System (ADS)

Bialas, A.; Zalewski, K.

1999-01-01

The influence of the HTB effect on the multiplicity distribution and charge ratios of independently produced pions is studied. It is shown that, for a wide class of models, there is a critical point, where the average number of pions becomes very large and the multiplicity distribution becomes very broad. In this regime unusual charge ratios (“centauros”, “anticentauros”) are strongly enhanced. The prospects for reaching this regime are discussed.

Optimal Coordinated EV Charging with Reactive Power Support in Constrained Distribution Grids

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

Paudyal, Sumit; Ceylan, Oğuzhan; Bhattarai, Bishnu P.

Electric vehicle (EV) charging/discharging can take place in any P-Q quadrants, which means EVs could support reactive power to the grid while charging the battery. In controlled charging schemes, distribution system operator (DSO) coordinates with the charging of EV fleets to ensure grid’s operating constraints are not violated. In fact, this refers to DSO setting upper bounds on power limits for EV charging. In this work, we demonstrate that if EVs inject reactive power into the grid while charging, DSO could issue higher upper bounds on the active power limits for the EVs for the same set of grid constraints.more » We demonstrate the concept in an 33-node test feeder with 1,500 EVs. Case studies show that in constrained distribution grids in coordinated charging, average costs of EV charging could be reduced if the charging takes place in the fourth P-Q quadrant compared to charging with unity power factor.« less

Solute-Solvent Charge-Transfer Excitations and Optical Absorption of Hydrated Hydroxide from Time-Dependent Density-Functional Theory.

PubMed

Opalka, Daniel; Sprik, Michiel

2014-06-10

The electronic structure of simple hydrated ions represents one of the most challenging problems in electronic-structure theory. Spectroscopic experiments identified the lowest excited state of the solvated hydroxide as a charge-transfer-to-solvent (CTTS) state. In the present work we report computations of the absorption spectrum of the solvated hydroxide ion, treating both solvent and solute strictly at the same level of theory. The average absorption spectrum up to 25 eV has been computed for samples taken from periodic ab initio molecular dynamics simulations. The experimentally observed CTTS state near the onset of the absorption threshold has been analyzed at the generalized-gradient approximation (GGA) and with a hybrid density-functional. Based on results for the lowest excitation energies computed with the HSE hybrid functional and a Davidson diagonalization scheme, the CTTS transition has been found 0.6 eV below the first absorption band of liquid water. The transfer of an electron to the solvent can be assigned to an excitation from the solute 2pπ orbitals, which are subject to a small energetic splitting due to the asymmetric solvent environment, to the significantly delocalized lowest unoccupied orbital of the solvent. The distribution of the centers of the excited state shows that CTTS along the OH(-) axis of the hydroxide ion is avoided. Furthermore, our simulations indicate that the systematic error arising in the calculated spectrum at the GGA originates from a poor description of the valence band energies in the solution.

Computational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics

NASA Astrophysics Data System (ADS)

Farrell, Patricio; Koprucki, Thomas; Fuhrmann, Jürgen

2017-10-01

We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter-Gummel scheme to non-Boltzmann (e.g. Fermi-Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.

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.

12 CFR 1070.22 - Fees for processing requests for CFPB records.

Code of Federal Regulations, 2012 CFR

2012-01-01

... of grades typically involved may be established. This charge shall include transportation of...), an average rate for the range of grades typically involved may be established. Fees shall be charged... research. (iii) Non-commercial scientific institution refers to an institution that is not operated on a...

48 CFR 9904.416-60 - Illustrations.

Code of Federal Regulations, 2012 CFR

2012-10-01

... physical units of property and the average potential loss per unit is relatively low, the actual losses in...-insurance charge for such losses, then any difference between the self-insurance charge and actual losses in... potential loss per occurrence is limited, the actual losses in any cost accounting period may be expected...

Forecasting College Costs Through 1988-89.

ERIC Educational Resources Information Center

Henderson, Cathy

1986-01-01

If inflation and unemployment remain low, then average annual increases in total student charges should continue to drop. The key to slower growth in student charges is sustained low inflation rates. The return of high unemployment or dramatic cuts in need-based federal student aid programs could upset the balance. (MLW)

36 CFR 51.82 - Are a concessioner's rates required to be reasonable and subject to approval by the Director?

Code of Federal Regulations, 2010 CFR

2010-07-01

... following factors and other factors deemed relevant by the Director: Length of season; peakloads; average.... Such rates and charges may not exceed the market rates and charges for comparable facilities, goods, and services, after taking these factors into consideration. ...

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.

Intermediate states in the binding process of folic acid to folate receptor α: insights by molecular dynamics and metadynamics.

PubMed

Della-Longa, Stefano; Arcovito, Alessandro

2015-01-01

Folate receptor α (FRα) is a cell surface, glycophosphatidylinositol-anchored protein which has focussed attention as a therapeutic target and as a marker for the diagnosis of cancer. It has a high affinity for the dietary supplemented folic acid (FOL), carrying out endocytic transport across the cell membrane and delivering the folate at the acidic pH of the endosome. Starting from the recently reported X-ray structure at pH 7, 100 ns classical molecular dynamics simulations have been carried out on the FRα-FOL complex; moreover, the ligand dissociation process has been studied by metadynamics, a recently reported method for the analysis of free-energy surfaces (FES), providing clues on the intermediate states and their energy terms. Multiple dissociation runs were considered to enhance the configurational sampling; a final clustering of conformations within the averaged FES provides the representative structures of several intermediate states, within an overall barrier for ligand escape of about 75 kJ/mol. Escaping of FOL to solvent occurs while only minor changes affect the FRα conformation of the binding pocket. During dissociation, the FOL molecule translates and rotates around a turning point located in proximity of the receptor surface. FOL at this transition state assumes an "L" shaped conformation, with the pteridin ring oriented to optimize stacking within W102 and W140 residues, and the negatively charged glutamate tail, outside the receptor, interacting with the positively charged R103 and R106 residues, that contrary to the bound state, are solvent exposed. We show that metadynamics method can provide useful insights at the atomistic level on the effects of point-mutations affecting functionality, thus being a very promising tool for any study related to folate-targeted drug delivery or cancer therapies involving folate uptake.

Intermediate states in the binding process of folic acid to folate receptor α: insights by molecular dynamics and metadynamics

NASA Astrophysics Data System (ADS)

Della-Longa, Stefano; Arcovito, Alessandro

2015-01-01

Folate receptor α (FRα) is a cell surface, glycophosphatidylinositol-anchored protein which has focussed attention as a therapeutic target and as a marker for the diagnosis of cancer. It has a high affinity for the dietary supplemented folic acid (FOL), carrying out endocytic transport across the cell membrane and delivering the folate at the acidic pH of the endosome. Starting from the recently reported X-ray structure at pH 7, 100 ns classical molecular dynamics simulations have been carried out on the FRα-FOL complex; moreover, the ligand dissociation process has been studied by metadynamics, a recently reported method for the analysis of free-energy surfaces (FES), providing clues on the intermediate states and their energy terms. Multiple dissociation runs were considered to enhance the configurational sampling; a final clustering of conformations within the averaged FES provides the representative structures of several intermediate states, within an overall barrier for ligand escape of about 75 kJ/mol. Escaping of FOL to solvent occurs while only minor changes affect the FRα conformation of the binding pocket. During dissociation, the FOL molecule translates and rotates around a turning point located in proximity of the receptor surface. FOL at this transition state assumes an "L" shaped conformation, with the pteridin ring oriented to optimize stacking within W102 and W140 residues, and the negatively charged glutamate tail, outside the receptor, interacting with the positively charged R103 and R106 residues, that contrary to the bound state, are solvent exposed. We show that metadynamics method can provide useful insights at the atomistic level on the effects of point-mutations affecting functionality, thus being a very promising tool for any study related to folate-targeted drug delivery or cancer therapies involving folate uptake.

FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg, Al, and Be TRANSMUTANTS IN 3C-SiC

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

Hu, Shenyang Y.; Setyawan, Wahyu; Jiang, Weilin

2014-08-28

The Vienna Ab-initio Simulation Package (VASP) is employed to calculate charge states and the formation energies of Mg, Al and Be transmutants at different lattice sites in 3C-SiC. The results provide important information on the dependence of the most stable charge state and formation energy of Mg, Al, Be and vacancies on electron potentials.

Equilibrium charge state distributions of Ni, Co, and Cu beams in molybdenum foil at 2 MeV/u

NASA Astrophysics Data System (ADS)

Gastis, Panagiotis; Perdikakis, George; Robertson, Daniel; Bauder, Will; Skulski, Michael; Collon, Phillipe; Anderson, Tyler; Ostdiek, Karen; Aprahamian, Ani; Lu, Wenting; Almus, Robert

2015-10-01

The charge states of heavy-ions are important for the study of nuclear reactions in inverse kinematics when electromagnetic recoil mass spectrometers are used. The passage of recoil products through a material, like the windows of gas cells or charge state boosters, results a charge state distribution (CSD) in the exit. This distribution must be known for the extraction of any cross section since only few charge-state can be transmitted through a magnetic separator separator for a given setting. The calculation of CSDs for heavy ions is challenging. Currently we rely on semi-empirical models with unknown accuracy for ion/target combinations in the Z > 20 region. In the present study were measured the CSDs of the stable 60Ni, 59Co, and 63Cu beams while passing through a 1 μm molybdenum foil. The beam energies were 1.84 MeV/u, 2.09 MeV/u, and 2.11 MeV/u for the 60Ni, 59Co, and 63Cu respectively. The results of this study mainly check the accuracy of the semi-empirical models used by the program LISE++, on calculating CSDs for ion/target combinations of Z > 20. In addition, other empirical models on calculating mean charge states were compared and checked.

Open-Circuit Voltage Losses in Selenium-Substituted Organic Photovoltaic Devices from Increased Density of Charge-Transfer States

DOE PAGES

Sulas, Dana B.; Yao, Kai; Intemann, Jeremy J.; ...

2015-09-12

Using an analysis based on Marcus theory, we characterize losses in open-circuit voltage (V OC) due to changes in charge-transfer state energy, electronic coupling, and spatial density of charge-transfer states in a series of polymer/fullerene solar cells. Here, we use a series of indacenodithiophene polymers and their selenium-substituted analogs as electron donor materials and fullerenes as the acceptors. By combining device measurements and spectroscopic studies (including subgap photocurrent, electroluminescence, and, importantly, time-resolved photoluminescence of the charge-transfer state) we are able to isolate the values for electronic coupling and the density of charge-transfer states (NCT), rather than the more commonly measuredmore » product of these values. We find values for NCT that are surprisingly large (~4.5 × 10 21–6.2 × 10 22 cm -3), and we find that a significant increase in N CT upon selenium substitution in donor polymers correlates with lower VOC for bulk heterojunction photovoltaic devices. The increase in N CT upon selenium substitution is also consistent with nanoscale morphological characterization. Using transmission electron microscopy, selected area electron diffraction, and grazing incidence wide-angle X-ray scattering, we find evidence of more intermixed polymer and fullerene domains in the selenophene blends, which have higher densities of polymer/fullerene interfacial charge-transfer states. Our results provide an important step toward understanding the spatial nature of charge-transfer states and their effect on the open-circuit voltage of polymer/fullerene solar cells« less

Charge control switch responsive to cell casing deflection

NASA Technical Reports Server (NTRS)

Fischell, Robert E. (Inventor)

1981-01-01

A switch structure, adapted for sensing the state-of-charge of a rechargeable cell, includes a contact element which detects cell casing deflection that occurs as a result of an increase in gaseous pressure within the cell when the cell is returned to its fully charged state during a recharging operation.

Phosphorus solubility of agricultural soils: a surface charge and phosphorus-31 NMR speciation study

USDA-ARS?s Scientific Manuscript database

We investigated ten soils from six states in United States to determine the relationship between potentiometric titration derived soil surface charge and Phosphorus-31 (P) nuclear magnetic resonance (NMR) speciation with the concentration of water-extractable P (WEP). The surface charge value at the...

Effects of Charge State on Fragmentation Pathways, Dynamics, and Activation Energies of Ubiquitin Ions Measured by Blackbody Infrared Radiative Dissociation

PubMed Central

Jockusch, Rebecca A.; Schnier, Paul D.; Price, William D.; Strittmatter, Eric. F.; Demirev, Plamen A.; Williams*, Evan R.

2005-01-01

Blackbody infrared radiative dissociation spectra of the (M + 5H)5+ through (M + 11H)11+ ions of the protein ubiquitin (8.6 kDa) formed by electrospray ionization were measured in a Fourier-transform mass spectrometer. The 5+ ion dissociates exclusively by loss of water and/or ammonia, whereas the 11+ charge state dissociates only by formation of complementary y and b ions. These two processes are competitive for intermediate charge state ions, with the formation of y and b ions increasingly favored for the higher charge states. The y and b ions are formed by cleavage of the backbone amide bond on the C-terminal side of acidic residues exclusively, with cleavage adjacent to aspartic acid favored. Thermal unimolecular dissociation rate constants for the dissociation of each of these charge states were measured. From the temperature dependence of these rates, Arrhenius activation parameters in the rapid energy exchange limit are obtained. The activation energies (Ea) and preexponential factors (A) for the 5+, 8+, and 9+ ions are 1.2 eV and 1012 s−1, respectively. These values for the 6+ and 7+ ions are 0.9–1.0 eV and 109 s−1, and those for the 10+ and 11+ ions are 1.6 eV and 1016–1017 s−1. Thus, with the exception of the 5+ ion, the higher charge states of ubiquitin have larger dissociation activation energies than the lower charge states. The different A factors observed for production of y and b ions from different precursor charge states indicate that they are formed by different mechanisms, ranging from relatively complex rearrangements to direct bond cleavages. These results clearly demonstrate that the relative dissociation rates of large biomolecule ions by themselves are not necessarily a reliable indicator of their relative dissociation energies, even when similar fragment ions are formed. PMID:9075403

Effects of charge state on fragmentation pathways, dynamics, and activation energies of ubiquitin ions measured by blackbody infrared radiative dissociation.

PubMed

Jockusch, R A; Schnier, P D; Price, W D; Strittmatter, E F; Demirev, P A; Williams, E R

1997-03-15

Blackbody infrared radiative dissociation spectra of the (M + 5H)5+ through (M + 11H)11+ ions of the protein ubiquitin (8.6 kDa) formed by electrospray ionization were measured in a Fourier-transform mass spectrometer. The 5+ ion dissociates exclusively by loss of water and/or ammonia, whereas the 11+ charge state dissociates only by formation of complementary y and b ions. These two processes are competitive for intermediate charge state ions, with the formation of y and b ions increasingly favored for the higher charge states. The y and b ions are formed by cleavage of the backbone amide bond on the C-terminal side of acidic residues exclusively, with cleavage adjacent to aspartic acid favored. Thermal unimolecular dissociation rate constants for the dissociation of each of these charge states were measured. From the temperature dependence of these rates, Arrhenius activation parameters in the rapid energy exchange limit are obtained. The activation energies (Ea) and preexponential factors (A) for the 5+, 8+, and 9+ ions are 1.2 eV and 10(12) s-1, respectively. These values for the 6+ and 7+ ions are 0.9-1.0 eV and 10(9) s-1, and those for the 10+ and 11+ ions are 1.6 eV and 10(16)-10(17) s-1. Thus, with the exception of the 5+ ion, the higher charge states of ubiquitin have larger dissociation activation energies than the lower charge states. The different A factors observed for production of y and b ions from different precursor charge states indicate that they are formed by different mechanisms, ranging from relatively complex rearrangements to direct bond cleavages. These results clearly demonstrate that the relative dissociation rates of large biomolecule ions by themselves are not necessarily a reliable indicator of their relative dissociation energies, even when similar fragment ions are formed.

Reanalyzing Inferred High Energy Ionic Charge States for Solar Energetic Particle Events with ACE and STEREO

NASA Astrophysics Data System (ADS)

Labrador, A. W.; Sollitt, L. S.; Cohen, C.; Cummings, A. C.; Leske, R. A.; Mason, G. M.; Mewaldt, R. A.; Stone, E. C.; von Rosenvinge, T. T.; Wiedenbeck, M. E.

2017-12-01

We have estimated mean high-energy ionic charge states of solar energetic particles (SEPs) using the Sollitt et al. (2008) method. The method applies to abundant elements (e.g. N, O, Ne, Mg, Si, and Fe) in SEP events at the energy ranges covered by the STEREO/LET instrument (e.g. 2.7-70 MeV/nuc for Fe) and the ACE/SIS instrument (e.g. 11-168 MeV/nuc for Fe). The method starts by fitting SEP time-intensity profiles during the decay phase of a given, large SEP event in order to obtain energy-dependent decay times. The mean charge state for each element is estimated from the relationship between the energy dependence of its decay times to that for selected calibration references. For simultaneous estimates among multiple elements, we assume a common rigidity dependence across all elements. Earlier calculations by Sollitt et al. incorporated helium time intensity profile fits with an assumed charge state of 2. Subsequent analysis dropped helium as a reference element, for simplicity, but we have recently reincorporated He for calibration, from either STEREO/LET or ACE/SIS data, combined with C as an additional reference element with an assumed mean charge state of 5.9. For this presentation, we will present validation of the reanalysis using data from the 8 March 2012 SEP event in ACE data and the 28 September 2012 event in STEREO data. We will also introduce additional low-energy He from publicly available ACE/ULEIS and STEREO/SIT data, which should further constrain the charge state calibration. Better charge state calibration could yield more robust convergence to physical solutions for SEP events for which this method has not previously yielded results. Therefore, we will also present analysis for additional SEP events from 2005 to 2017, and we will investigate conditions for which this method yields or does not yield charge states.

Solid state cloaking for electrical charge carrier mobility control

DOEpatents

Zebarjadi, Mona; Liao, Bolin; Esfarjani, Keivan; Chen, Gang

2015-07-07

An electrical mobility-controlled material includes a solid state host material having a controllable Fermi energy level and electrical charge carriers with a charge carrier mobility. At least one Fermi level energy at which a peak in charge carrier mobility is to occur is prespecified for the host material. A plurality of particles are distributed in the host material, with at least one particle disposed with an effective mass and a radius that minimize scattering of the electrical charge carriers for the at least one prespecified Fermi level energy of peak charge carrier mobility. The minimized scattering of electrical charge carriers produces the peak charge carrier mobility only at the at least one prespecified Fermi level energy, set by the particle effective mass and radius, the charge carrier mobility being less than the peak charge carrier mobility at Fermi level energies other than the at least one prespecified Fermi level energy.

Intercalation pathway in many-particle LiFePO4 electrode revealed by nanoscale state-of-charge mapping.

PubMed

Chueh, William C; El Gabaly, Farid; Sugar, Joshua D; Bartelt, Norman C; McDaniel, Anthony H; Fenton, Kyle R; Zavadil, Kevin R; Tyliszczak, Tolek; Lai, Wei; McCarty, Kevin F

2013-03-13

The intercalation pathway of lithium iron phosphate (LFP) in the positive electrode of a lithium-ion battery was probed at the ∼40 nm length scale using oxidation-state-sensitive X-ray microscopy. Combined with morphological observations of the same exact locations using transmission electron microscopy, we quantified the local state-of-charge of approximately 450 individual LFP particles over nearly the entire thickness of the porous electrode. With the electrode charged to 50% state-of-charge in 0.5 h, we observed that the overwhelming majority of particles were either almost completely delithiated or lithiated. Specifically, only ∼2% of individual particles were at an intermediate state-of-charge. From this small fraction of particles that were actively undergoing delithiation, we conclude that the time needed to charge a particle is ∼1/50 the time needed to charge the entire particle ensemble. Surprisingly, we observed a very weak correlation between the sequence of delithiation and the particle size, contrary to the common expectation that smaller particles delithiate before larger ones. Our quantitative results unambiguously confirm the mosaic (particle-by-particle) pathway of intercalation and suggest that the rate-limiting process of charging is initiating the phase transformation by, for example, a nucleation-like event. Therefore, strategies for further enhancing the performance of LFP electrodes should not focus on increasing the phase-boundary velocity but on the rate of phase-transformation initiation.

The impact of a skilled nursing facility on the cost of surgical treatment of major head and neck tumors.

PubMed

Seikaly, H; Calhoun, K H; Stonestreet, J S; Rassekh, C H; Driscoll, B P; Averyt, P

2001-09-01

The finite resources available for health care and the proliferation of managed care in the United States have forced the head and neck surgeon to critically evaluate the cost of tumor treatment. To determine whether the cost of treating patients with head and neck tumors would be reduced if the patients were to spend a portion of what would otherwise be acute care hospital days in a hospital-based skilled nursing facility (HB/SNF). Retrospective cost-benefit analysis. Tertiary referral center. Twenty-four consecutive hospital admissions for definitive surgical treatment of head and neck tumors were retrospectively reviewed. The postoperative day on which the patient theoretically could have been transferred to the HB/SNF was determined. The charges and cost of each patient's actual hospital stay were compared with the theoretical counterparts had the patient been transferred to the HB/SNF on the determined day. Cost savings. The total hospital stay for the 24 patients was 524 days. One hundred eighty-two of those days could have been spent in the HB/SNF. The total charge and cost savings with the use of an HB/SNF were $201,045 and $84,238, respectively (15% of the total charge and cost). This represents an average charge and cost savings of $8377 and $3510, respectively, per patient. The difference was statistically significant (P<.005). An HB/SNF could reduce the cost of head and neck tumor treatment without compromising patient care.

Semi-empirical scaling for ion–atom single charge exchange cross sections in the intermediate velocity regime

DOE PAGES

Friedman, B.; DuCharme, G.

2017-05-11

We present a semi-empirical scaling law for non-resonant ion–atom single charge exchange cross sections for collisions with velocities frommore » $${10}^{7}\\,{\\rm{t}}{\\rm{o}}\\,{10}^{9}\\,\\mathrm{cm}\\,{{\\rm{s}}}^{-1}$$ and ions with positive charge $$q\\lt 8$$. Non-resonant cross sections tend to have a velocity peak at collision velocities $$v\\lesssim 1\\ {\\rm{a}}{\\rm{u}}$$ with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, $${\\rm{\\Delta }}E$$, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters $${v}_{{\\rm{m}}},{I}_{{\\rm{T}}},{Z}_{{\\rm{T}}},\\mathrm{and}\\ {Z}_{{\\rm{P}}}$$, where the $${Z}_{{\\rm{T}},{\\rm{P}}}$$ are the target and projectile atomic numbers. In conclusion, for the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.« less

Efficiency Analysis of a High-Specific Impulse Hall Thruster

NASA Technical Reports Server (NTRS)

Jacobson, David (Technical Monitor); Hofer, Richard R.; Gallimore, Alec D.

2004-01-01

Performance and plasma measurements of the high-specific impulse NASA-173Mv2 Hall thruster were analyzed using a phenomenological performance model that accounts for a partially-ionized plasma containing multiply-charged ions. Between discharge voltages of 300 to 900 V, the results showed that although the net decrease of efficiency due to multiply-charged ions was only 1.5 to 3.0 percent, the effects of multiply-charged ions on the ion and electron currents could not be neglected. Between 300 to 900 V, the increase of the discharge current was attributed to the increasing fraction of multiply-charged ions, while the maximum deviation of the electron current from its average value was only +5/-14 percent. These findings revealed how efficient operation at high-specific impulse was enabled through the regulation of the electron current with the applied magnetic field. Between 300 to 900 V, the voltage utilization ranged from 89 to 97 percent, the mass utilization from 86 to 90 percent, and the current utilization from 77 to 81 percent. Therefore, the anode efficiency was largely determined by the current utilization. The electron Hall parameter was nearly constant with voltage, decreasing from an average of 210 at 300 V to an average of 160 between 400 to 900 V. These results confirmed our claim that efficient operation can be achieved only over a limited range of Hall parameters.

RF attenuation as a dusty plasma diagnostic

NASA Astrophysics Data System (ADS)

Doyle, Brandon; Konopka, Uwe; Thomas, Edward

2017-10-01

When a dusty plasma is formed by adding dust to a plasma environment, the electron density of the background plasma is depleted as the dust particles acquire their negative charge. The magnitude of the electron depletion depends on the dust particle charge, and thus its properties, as well as the dust number density. A direct measurement of the electron density in a dusty plasma therefore contains information about the charging state of the dust particles. This measurement is difficult to obtain without influencing the system. For example, Langmuir probes influence the system by creating voids, or they become unreliable due to their potential contamination with dust. A less invasive diagnostic tool might be realized using plasma chamber electrodes for a plasma impedance measurement as it depends on the excitation frequency: the spatially averaged electron density is derived from the electron plasma frequency, which is related to the radio frequency attenuation characteristic. We present preliminary experiments using two impedance probe designs: probes immersed in a plasma and electrodes located at the edge of the plasma. We evaluate the potential application of this method for ground-based laboratory experiments and future microgravity experiment facilities aboard the ISS. This work was supported by JPL/NASA (JPL-RSA 1571699) the US Dept. of Energy (DE-SC0016330) and NSF (PHY-1613087).

Nonstoichiometric Titanium Oxides via Pulsed Laser Ablation in Water.

PubMed

Huang, Chang-Ning; Bow, Jong-Shing; Zheng, Yuyuan; Chen, Shuei-Yuan; Ho, Newjin; Shen, Pouyan

2010-04-13

Titanium oxide compounds TiO,Ti2O3, and TiO2 with a considerable extent of nonstoichiometry were fabricated by pulsed laser ablation in water and characterized by X-ray/electron diffraction, X-ray photoelectron spectroscopy and electron energy loss spectroscopy. The titanium oxides were found to occur as nanoparticle aggregates with a predominant 3+ charge and amorphous microtubes when fabricated under an average power density of ca. 1 × 108W/cm2 and 1011W/cm2, respectively followed by dwelling in water. The crystalline colloidal particles have a relatively high content of Ti2+ and hence a lower minimum band gap of 3.4 eV in comparison with 5.2 eV for the amorphous state. The protonation on both crystalline and amorphous phase caused defects, mainly titanium rather than oxygen vacancies and charge and/or volume-compensating defects. The hydrophilic nature and presumably varied extent of undercoordination at the free surface of the amorphous lamellae accounts for their rolling as tubes at water/air and water/glass interfaces. The nonstoichiometric titania thus fabricated have potential optoelectronic and catalytic applications in UV-visible range and shed light on the Ti charge and phase behavior of titania-water binary in natural shock occurrence.

Nonstoichiometric Titanium Oxides via Pulsed Laser Ablation in Water

PubMed Central

2010-01-01

Titanium oxide compounds TiO,Ti2O3, and TiO2 with a considerable extent of nonstoichiometry were fabricated by pulsed laser ablation in water and characterized by X-ray/electron diffraction, X-ray photoelectron spectroscopy and electron energy loss spectroscopy. The titanium oxides were found to occur as nanoparticle aggregates with a predominant 3+ charge and amorphous microtubes when fabricated under an average power density of ca. 1 × 108W/cm2 and 1011W/cm2, respectively followed by dwelling in water. The crystalline colloidal particles have a relatively high content of Ti2+ and hence a lower minimum band gap of 3.4 eV in comparison with 5.2 eV for the amorphous state. The protonation on both crystalline and amorphous phase caused defects, mainly titanium rather than oxygen vacancies and charge and/or volume-compensating defects. The hydrophilic nature and presumably varied extent of undercoordination at the free surface of the amorphous lamellae accounts for their rolling as tubes at water/air and water/glass interfaces. The nonstoichiometric titania thus fabricated have potential optoelectronic and catalytic applications in UV–visible range and shed light on the Ti charge and phase behavior of titania-water binary in natural shock occurrence. PMID:20672115

Prediction of purification of biopharmeceuticals with molecular dynamics

NASA Astrophysics Data System (ADS)

Ustach, Vincent; Faller, Roland

Purification of biopharmeceuticals remains the most expensive part of protein-based drug production. In ion exchange chromatography (IEX), prediction of the elution ionic strength of host cell and target proteins has the potential to reduce the parameter space for scale-up of protein production. The complex shape and charge distribution of proteins and pores complicates predictions of the interactions in these systems. All-atom molecular dynamics methods are beyond the scope of computational limits for mass transport regimes. We present a coarse-grained model for proteins for prediction of elution pH and ionic strength. By extending the raspberry model for colloid particles to surface shapes and charge distributions of proteins, we can reproduce the behavior of proteins in IEX. The average charge states of titratatable amino acid residues at relevant pH values are determined by extrapolation from all-atom molecular dynamics at pH 7. The pH specific all-atom electrostatic field is then mapped onto the coarse-grained surface beads of the raspberry particle. The hydrodynamics are reproduced with the lattice-Boltzmann scheme. This combination of methods allows very long simulation times. The model is being validated for known elution procedures by comparing the data with experiments. Defense Threat Reduction Agency (Grant Number HDTRA1-15-1-0054).

Cell overcharge testing inside sodium metal halide battery

NASA Astrophysics Data System (ADS)

Frutschy, Kris; Chatwin, Troy; Bull, Roger

2015-09-01

Testing was conducted to measure electrical performance and safety of the General Electric Durathon™ E620 battery module (600 V class 20 kWh) during cell overcharge. Data gathered from this test was consistent with SAE Electric Vehicle Battery Abuse Testing specification J2464 [1]. After cell overcharge failure and 24 A current flow for additional 60 minutes, battery was then discharged at 7.5 KW average power to 12% state of charge (SOC) and recharged back to 100% SOC. This overcharging test was performed on two cells. No hydrogen chloride (HCl) gas was detected during front cell (B1) test, and small amount (6.2 ppm peak) was measured outside the battery after center cell (F13) overcharge. An additional overcharge test was performed per UL Standard 1973 - Batteries for Use in Light Electric Rail (LER) Applications and Stationary Applications[2]. With the battery at 11% SOC and 280 °C float temperature, an individual cell near the front (D1) was deliberately imbalanced by charging it to 62% SOC. The battery was then recharged to 100% SOC. In all three tests, the battery cell pack was stable and individual cell failure did not propagate to other cells. Battery discharge performance, charge performance, and electrical isolation were normal after all three tests.

Operation of Lanzhou all permanent electron cyclotron resonance ion source No. 2 on 320 kV platform with highly charged ions

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

Lu, W., E-mail: luwang@impcas.ac.cn; University of Chinese Academy of Sciences, Beijing 100049; Li, J. Y.

2014-02-15

The 320 kV platform for multi-discipline research with highly charged ions is a heavy ion beam acceleration instrument developed by Institute of Modern Physics, which is dedicated to basic scientific researches such as plasma, atom, material physics, and astrophysics, etc. The platform has delivered ion beams of 400 species for 36 000 h. The average operation time is around 5000 h/year. With the beams provided by the platform, lots of outstanding progresses were made in various research fields. The ion source of the platform is an all-permanent magnet electron cyclotron resonance ion source, LAPECR2 (Lanzhou All Permanent ECR ion source No.more » 2). The maximum axial magnetic fields are 1.28 T at injection and 1.07 T at extraction, and the radial magnetic field is up to 1.21 T at the inner wall of the plasma chamber. The ion source is capable to produce low, medium, and high charge state gaseous and metallic ion beams, such as H{sup +}, {sup 40}Ar{sup 8+}, {sup 129}Xe{sup 30+}, {sup 209}Bi{sup 33+}, etc. This paper will present the latest result of LAPECR2 and the routine operation status for the high voltage platform.« less

Nonlinear Dynamics and Bifurcation Analysis of a Boost Converter for Battery Charging in Photovoltaic Applications

NASA Astrophysics Data System (ADS)

Al-Hindawi, Mohammed M.; Abusorrah, Abdullah; Al-Turki, Yusuf; Giaouris, Damian; Mandal, Kuntal; Banerjee, Soumitro

Photovoltaic (PV) systems with a battery back-up form an integral part of distributed generation systems and therefore have recently attracted a lot of interest. In this paper, we consider a system of charging a battery from a PV panel through a current mode controlled boost dc-dc converter. We analyze its complete nonlinear/nonsmooth dynamics, using a piecewise model of the converter and realistic nonlinear v-i characteristics of the PV panel. Through this study, it is revealed that system design without taking into account the nonsmooth dynamics of the converter combined with the nonlinear v-i characteristics of the PV panel can lead to unpredictable responses of the overall system with high current ripple and other undesirable phenomena. This analysis can lead to better designed converters that can operate under a wide variation of the solar irradiation and the battery's state of charge. We show that the v-i characteristics of the PV panel combined with the battery's output voltage variation can increase or decrease the converter's robustness, both under peak current mode control and average current mode control. We justify the observation in terms of the change in the discrete-time map caused by the nonlinear v-i characteristics of the PV panel. The theoretical results are validated experimentally.

Charge Generation and Recombination in Organic Materials for Photovoltaics

NASA Astrophysics Data System (ADS)

Ramirez, Jessica Jacklyn

Understanding the nature of molecular exciton states is critical for the design of organic photovoltaic materials that push current device efficiencies into the next realm. This thesis describes several research projects that have sought to further our understanding of the generation and recombination of charge carriers, facilitated by such excitonic states, in organic systems. We begin with fundamental studies on the excited-state dynamics of several fullerene derivatives. We also venture away from the traditional fullerene-based electron acceptors and consider several derivatized perylene diimides as alternate electron acceptors. We then report on the observation of a broad, structureless, emission emanating from charge-generating films comprised of perfluoroalkyl fullerene derivatives dilutely dispersed in polyfluorene hosts. We have determined that this red-shifted PL signature is the result of radiative recombination from a charge-transfer state that is populated initially as a precursor to charge generation, and may be repopulated upon charge recombination. Our data offers an observable link between charge-generation and charge-transfer emission that is kinetically associated with carrier recombination, and we utilize this link to probe the influence of driving force and polymer microstructure in the fundamental processes of charge generation and decay in small molecule/polymer heterojunctions. Thereafter, we sought to develop our understanding of a novel photophysical mechanism (known as energy pooling) which would allow for the energy of multiple excitons to be 'pooled' towards a central molecular moiety, where the individual exciton energies may add together to create a single highly excited excitonic state. This upconversion-like process would facilitate more efficient photocurrent generation in devices utilizing this mode of charge separation. The primary modes of inquiry utilized in this work come from the spectroscopic techniques of absorbance, steady-state and time-resolved photoluminescence, transient absorption and time-resolved microwave conductivity. Some secondary methods employed include cyclic voltammetry, X-ray diffraction and computational tools from density functional theory. This utilization of both experimental and theoretical methodologies provides a powerful approach to furthering our understanding of both the fundamental photophysics of the systems studied, as well as the charge generation and recombination pathways occurring at organic donor-acceptor interfaces, helping to guide the design of more efficient organic photovoltaics.

An Balancing Strategy Based on SOC for Lithium-Ion Battery Pack

NASA Astrophysics Data System (ADS)

Li, Peng

2017-09-01

According to the two kinds of working state of a battery pack, we designed a balancing strategy based on SOC, and expounds the working principle of balanced control strategy: the battery is charging, the battery charged state of the highest monomer battery is balanced discharge, strong single battery charging current decreases, while the other single cell in the same group is not affected; the battery is in a discharge or static state, single cell battery is the weakest balanced charge, while the other single cell in the same group are not affected. In this paper, we design a kind of lithium ion battery charging and discharging equalizer based on Buck chopper circuit and Boost-Buck chopper circuit. The equalizer is balanced charging and discharging experiments of series four lithium iron phosphate battery, the experimental results show that this equalizer has not only improved the degree not equilibrium between single cells, and improve the battery charge and discharge capacity.

Health Insurance Marketplaces: Early Findings on Changes in Plan Availability and Premiums in Rural Places, 2014-2015.

PubMed

Barker, Abigail; McBride, Timothy D; Kemper, Leah M; Mueller, Keith

2015-05-01

The Patient Protection and Affordable Care Act established Health Insurance Marketplaces (HIMs) in all 50 states and the District of Columbia. This policy brief assesses the changes in HIMs from 2014 to 2015 in terms of choices offered and premiums charged, with emphasis on how these measures vary across rural and urban places. Key Findings. (1) In 74 percent of HIM rating areas, the number of firms operating increased by at least one, while the number of firms decreased in only about 6 percent of rating areas. Further, 64 percent of rating areas with fewer than 50 persons per square mile gained at least one firm. (2) There was no consistent pattern of premium increases with respect to rating area population density (used as a proxy here for the degree of "ruralness" of the rating areas). Nationally, rural areas are not experiencing higher premium increases than their urban counterparts. In fact, the lowest increases in second-lowest cost silver plan premiums occurred in the medium-density population rating areas of 51 to 300 persons per square mile. (3) Average adjusted premiums increased from 2014 to 2015 by 6.7 percent in Federally-Facilitated Marketplaces (FFMs) compared to just 1.4 percent in State-Based Marketplaces (SBMs). Regardless of SBM or FFM status, premium increases across the United States were negatively correlated with the number of firms entering the market. (4) Analysis of the most rural states, in terms of percentage of the population classified as nonmetropolitan, shows that, in general, premiums fell significantly in rural places where they had been rather high, and they increased in rural places where they had been rather low. The five rural states with the lowest premium increases had an average of 0.17 firms entering the market, while the five with the highest premium increases had an average of 0.50 firms exiting the market.

Search for fractional-charge particles in meteoritic material.

PubMed

Kim, Peter C; Lee, Eric R; Lee, Irwin T; Perl, Martin L; Halyo, Valerie; Loomba, Dinesh

2007-10-19

We have used an automated Millikan oil drop method to search for free fractional-charge particles in a sample containing in total 3.9 mg of pulverized Allende meteorite suspended in 259 mg of mineral oil. The average diameter of the drops was 26.5 microm with the charge on about 42 500 000 drops being measured. This search was motivated by the speculation that isolatable, fractional-charge particles produced in the early Universe and present in our Solar System are more likely to be accumulated in asteroids than on Earth's surface. No evidence for fractional-charge particles was found. With 95% confidence, the concentration of particles with fractional-charge more than 0.25 e (e being the magnitude of the electron charge) from the nearest integer charge is less than 1.3 x 10(-21) particles per nucleon in the meteoritic material and less than 1.9 x 10(-23) particles per nucleon in the mineral oil.

Electrostatic Charging of the Pathfinder Rover

NASA Technical Reports Server (NTRS)

Siebert, Mark W.; Kolecki, Joseph C.

1996-01-01

The Mars Pathfinder mission will send a lander and a rover to the martian surface. Because of the extremely dry conditions on Mars, electrostatic charging of the rover is expected to occur as it moves about. Charge accumulation may result in high electrical potentials and discharge through the martian atmosphere. Such discharge could interfere with the operation of electrical elements on the rover. A strategy was sought to mitigate this charge accumulation as a precautionary measure. Ground tests were performed to demonstrate charging in laboratory conditions simulating the surface conditions expected at Mars. Tests showed that a rover wheel, driven at typical rover speeds, will accumulate electrical charge and develop significant electrical potentials (average observed, 110 volts). Measurements were made of wheel electrical potential, and wheel capacitance. From these quantities, the amount of absolute charge was estimated. An engineering solution was developed and recommended to mitigate charge accumulation. That solution has been implemented on the actual rover.

Model for thickness dependence of radiation charging in MOS structures

NASA Technical Reports Server (NTRS)

Viswanathan, C. R.; Maserjian, J.

1976-01-01

The model considers charge buildup in MOS structures due to hole trapping in the oxide and the creation of sheet charge at the silicon interface. The contribution of hole trapping causes the flatband voltage to increase with thickness in a manner in which square and cube dependences are limiting cases. Experimental measurements on samples covering a 200 - 1000 A range of oxide thickness are consistent with the model, using independently obtained values of hole-trapping parameters. An important finding of our experimental results is that a negative interface charge contribution due to surface states created during irradiation compensates most of the positive charge in the oxide at flatband. The tendency of the surface states to 'track' the positive charge buildup in the oxide, for all thicknesses, applies both in creation during irradiation and in annihilation during annealing. An explanation is proposed based on the common defect origin of hole traps and potential surface states.

Ionic charge state measurements during He(+)-rich solar particle events

NASA Technical Reports Server (NTRS)

Hovestadt, D.; Klecker, B.; Scholer, M.; Gloeckler, G.

1984-01-01

Ionic charge state measurements of carbon, oxygen, and iron in He(+)-rich energetic particle events are presented. The data have been obtained with the Max-Planck-Institut/University of Maryland sensor system on the ISEE 3 spacecraft. The ionic charge states cannot be explained in terms of a model in which the coronal temperature determines a charge equilibrium which is subsequently frozen-in nor in terms of charge exchange during transition through coronal matter after acceleration. It is concluded that the acceleration and probably also the injection process is biased against particles with high mass-to-charge ratios. The plasma injected into the acceleration process must consist of material of cold (not greater than 8.5 x 10 to the 4th K) as well as hot (2.5 x 10 to the 6th K) origin. The cold material must be more abundant than the hot material.

Charge transfer transitions in optical spectra of NicMg1-cO oxides

NASA Astrophysics Data System (ADS)

Churmanov, V. N.; Sokolov, V. I.; Pustovarov, V. A.; Gruzdev, N. B.; Uimin, M. A.; Byzov, I. V.; Druzhinin, A. V.; Korolyov, A. V.; Kim, G. A.; Zatsepin, A. F.; Kuznetsova, J. A.

2017-04-01

Radiative recombination with charge transfer was observed in NicMg1-cO (c = 0.008) oxides over the 8-300 K temperature range. This recombination occurs as a result of strong hybridization of the Ni2+ ion 3d-states and the band states. The charge transfer radiation excitation spectrum shows vibrational LO repeats of two exciton lines having charge transfer energy intervals of about 35 meV. The NiO nanocrystal absorption spectrum shows two weak peaks with energies of 3.510 and 3.543 eV, which are highly dependent on temperature. They are interpreted as charge transfer excitons at the edge of NiO fundamental absorption. The distance between the charge transfer exciton lines in the NicMg1-cO oxide spectra are caused by spin-orbit splitting of the valence band peak that was formed by the p-states of the oxygen ion.

Properties of Minor Ions in the Solar Wind and Implications for the Background Solar Wind Plasma

NASA Technical Reports Server (NTRS)

Esser, Ruth; Ling, James (Technical Monitor)

2001-01-01

Ion charge states measured in situ in interplanetary space carry information on the properties of the solar wind plasma in the inner corona where these ion charge states are formed. The goal of the proposed research was to determine solar wind models and coronal observations that are necessary tools for the interpretation of the ion charge state observations made in situ in the solar wind.

Lithium-Ion Battery Failure: Effects of State of Charge and Packing Configuration

DTIC Science & Technology

2016-08-22

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6180--16-9689 Lithium - Ion Battery Failure: Effects of State of Charge and Packing...PAGES 17. LIMITATION OF ABSTRACT Lithium - Ion Battery Failure: Effects of State of Charge and Packing Configuration Neil S. Spinner,* Katherine M. Hinnant...Steven G. Tuttle (202) 404-3419 Lithium - ion battery safety remains a significant concern, as battery failure leads to ejection of hazardous materials

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins

PubMed Central

Gunner, MR; Baker, Nathan A.

2017-01-01

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions are dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding their underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research. PMID:27497160

A Physically Based Analytical Model to Describe Effective Excess Charge for Streaming Potential Generation in Water Saturated Porous Media

NASA Astrophysics Data System (ADS)

Guarracino, L.; Jougnot, D.

2018-01-01

Among the different contributions generating self-potential, the streaming potential is of particular interest in hydrogeology for its sensitivity to water flow. Estimating water flux in porous media using streaming potential data relies on our capacity to understand, model, and upscale the electrokinetic coupling at the mineral-solution interface. Different approaches have been proposed to predict streaming potential generation in porous media. One of these approaches is the flux averaging which is based on determining the excess charge which is effectively dragged in the medium by water flow. In this study, we develop a physically based analytical model to predict the effective excess charge in saturated porous media using a flux-averaging approach in a bundle of capillary tubes with a fractal pore size distribution. The proposed model allows the determination of the effective excess charge as a function of pore water ionic concentration and hydrogeological parameters like porosity, permeability, and tortuosity. The new model has been successfully tested against different set of experimental data from the literature. One of the main findings of this study is the mechanistic explanation to the empirical dependence between the effective excess charge and the permeability that has been found by several researchers. The proposed model also highlights the link to other lithological properties, and it is able to reproduce the evolution of effective excess charge with electrolyte concentrations.

On the orientation of the backbone dipoles in native folds

PubMed Central

Ripoll, Daniel R.; Vila, Jorge A.; Scheraga, Harold A.

2005-01-01

The role of electrostatic interactions in determining the native fold of proteins has been investigated by analyzing the alignment of peptide bond dipole moments with the local electrostatic field generated by the rest of the molecule with and without solvent effects. This alignment was calculated for a set of 112 native proteins by using charges from a gas phase potential. Most of the peptide dipoles in this set of proteins are on average aligned with the electrostatic field. The dipole moments associated with α-helical conformations show the best alignment with the electrostatic field, followed by residues in β-strand conformations. The dipole moments associated with other secondary structure elements are on average better aligned than in randomly generated conformations. The alignment of a dipole with the local electrostatic field depends on both the topology of the native fold and the charge distribution assumed for all of the residues. The influences of (i) solvent effects, (ii) different sets of charges, and (iii) the charge distribution assumed for the whole molecule were examined with a subset of 22 proteins each of which contains <30 ionizable groups. The results show that alternative charge distribution models lead to significant differences among the associated electrostatic fields, whereas the electrostatic field is less sensitive to the particular set of the adopted charges themselves (empirical conformational energy program for peptides or parameters for solvation energy). PMID:15894608

Experimental evidence of beam-foil plasma creation during ion-solid interaction

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

Sharma, Prashant, E-mail: prashant@iuac.res.in; Nandi, Tapan

2016-08-15

Charge state evolution of the energetic projectile ions during the passage through thin carbon foils has been revisited using the X-ray spectroscopy technique. Contributions from the bulk and the solid surface in the charge changing processes have been segregated by measuring the charge state distribution of the projectile ions in the bulk of the target during the ion–solid interaction. Interestingly, the charge state distribution measured in the bulk exhibits Lorentzian profile in contrast to the well-known Gaussian structure observed using the electromagnetic methods and the theoretical predictions. The occurrence of such behavior is a direct consequence of the imbalance betweenmore » charge changing processes, which has been seen in various cases of the laboratory plasma. It suggests that the ion-solid collisions constitute high-density, localized plasma in the bulk of the solid target, called the beam-foil plasma. This condensed beam-foil plasma is similar to the high-density solar and stellar plasma which may have practical implementations in various fields, in particular, plasma physics and nuclear astrophysics. The present work suggests further modification in the theoretical charge state distribution calculations by incorporating the plasma coupling effects during the ion–solid interactions. Moreover, the multi-electron capture from the target exit surface has been confirmed through comparison between experimentally measured and theoretically predicted values of the mean charge state of the projectile ions.« less

Charge transport network dynamics in molecular aggregates

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

Jackson, Nicholas E.; Chen, Lin X.; Ratner, Mark A.

2016-07-20

Due to the nonperiodic nature of charge transport in disordered systems, generating insight into static charge transport networks, as well as analyzing the network dynamics, can be challenging. Here, we apply time-dependent network analysis to scrutinize the charge transport networks of two representative molecular semiconductors: a rigid n-type molecule, perylenediimide, and a flexible p-type molecule, bBDT(TDPP)2. Simulations reveal the relevant timescale for local transfer integral decorrelation to be ~100 fs, which is shown to be faster than that of a crystalline morphology of the same molecule. Using a simple graph metric, global network changes are observed over timescales competitive withmore » charge carrier lifetimes. These insights demonstrate that static charge transport networks are qualitatively inadequate, whereas average networks often overestimate network connectivity. Finally, a simple methodology for tracking dynamic charge transport properties is proposed.« less

Energy gap law of electron transfer in nonpolar solvents.

PubMed

Tachiya, M; Seki, Kazuhiko

2007-09-27

We investigate the energy gap law of electron transfer in nonpolar solvents for charge separation and charge recombination reactions. In polar solvents, the reaction coordinate is given in terms of the electrostatic potentials from solvent permanent dipoles at solutes. In nonpolar solvents, the energy fluctuation due to solvent polarization is absent, but the energy of the ion pair state changes significantly with the distance between the ions as a result of the unscreened strong Coulomb potential. The electron transfer occurs when the final state energy coincides with the initial state energy. For charge separation reactions, the initial state is a neutral pair state, and its energy changes little with the distance between the reactants, whereas the final state is an ion pair state and its energy changes significantly with the mutual distance; for charge recombination reactions, vice versa. We show that the energy gap law of electron-transfer rates in nonpolar solvents significantly depends on the type of electron transfer.

Non-Faradaic Li + Migration and Chemical Coordination across Solid-State Battery Interfaces

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

Gittleson, Forrest S.; El Gabaly, Farid

Efficient and reversible charge transfer is essential to realizing high-performance solid-state batteries. Efforts to enhance charge transfer at critical electrode–electrolyte interfaces have proven successful, yet interfacial chemistry and its impact on cell function remains poorly understood. Using X-ray photoelectron spectroscopy combined with electrochemical techniques, we elucidate chemical coordination near the LiCoO 2–LIPON interface, providing experimental validation of space-charge separation. Space-charge layers, defined by local enrichment and depletion of charges, have previously been theorized and modeled, but the unique chemistry of solid-state battery interfaces is now revealed. Here we highlight the non-Faradaic migration of Li+ ions from the electrode to themore » electrolyte, which reduces reversible cathodic capacity by ~15%. Inserting a thin, ion-conducting LiNbO 3 interlayer between the electrode and electrolyte, however, can reduce space-charge separation, mitigate the loss of Li+ from LiCoO 2, and return cathodic capacity to its theoretical value. This work illustrates the importance of interfacial chemistry in understanding and improving solid-state batteries.« less

The Polar and Electrical Nature of Dye Binding Sites on Human Red Blood Cell Membranes.

DTIC Science & Technology

positive charges at the binding sites. By increasing the concentration of the anionic BPB (or by the addition of the anionic detergent sodium lauryl ... sulfate ) these positive charges appear to be successively titrated, rendering the membrane binding sites electrically neutral at this pH. The average

77 FR 21775 - Risk Adjustment Meeting-May 7, 2012 and May 8, 2012

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-11

... notice announces a meeting on the risk adjustment program, which is open to the public. The purpose of... plan average actuarial risk, calculation of payments and charges, data collection approach, and the..., calculation of payments and charges, data collection approach, and the schedule for running risk adjustment...

A simple derivation of Lorentz self-force

NASA Astrophysics Data System (ADS)

Haque, Asrarul

2014-09-01

We derive the Lorentz self-force for a charged particle in arbitrary non-relativistic motion by averaging the retarded fields. The derivation is simple and at the same time pedagogically accessible. We obtain the radiation reaction for a charged particle moving in a circle. We pin down the underlying concept of mass renormalization.

7 CFR 56.54 - Charges for continuous grading performed on a nonresident basis.

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2011-01-01

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78 FR 57913 - Self-Regulatory Organizations; NASDAQ OMX PHLX LLC; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-20

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77 FR 60005 - Schedule of Charges Outside the United States

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-01

... Flight Standards Aviation Safety Inspectors outside the United States. The advisory circular has been... DEPARTMENT OF TRANSPORTATION Federal Aviation Administration [AC 187-1F] Schedule of Charges Outside the United States AGENCY: Federal Aviation Administration (FAA), DOT. [[Page 60006

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

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

van Veenendaal, Michel

2016-09-01

The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than amore » picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. For small long-range interactions, recovery can be slow due to domain formation.« less

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

DOE PAGES

van Veenendaal, Michel

2016-09-01

The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than amore » picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. Finally, for small long-range interactions, recovery can be slow due to domain formation.« less

Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects.

PubMed

D'Avino, Gabriele; Muccioli, Luca; Olivier, Yoann; Beljonne, David

2016-02-04

We address charge separation and recombination in polymer/fullerene solar cells with a multiscale modeling built from accurate atomistic inputs and accounting for disorder, interface electrostatics and genuine quantum effects on equal footings. Our results show that bound localized charge transfer states at the interface coexist with a large majority of thermally accessible delocalized space-separated states that can be also reached by direct photoexcitation, thanks to their strong hybridization with singlet polymer excitons. These findings reconcile the recent experimental reports of ultrafast exciton separation ("hot" process) with the evidence that high quantum yields do not require excess electronic or vibrational energy ("cold" process), and show that delocalization, by shifting the density of charge transfer states toward larger effective electron-hole radii, may reduce energy losses through charge recombination.

Hidden Charge States in Soft-X-Ray Laser-Produced Nanoplasmas Revealed by Fluorescence Spectroscopy

NASA Astrophysics Data System (ADS)

Schroedter, L.; Müller, M.; Kickermann, A.; Przystawik, A.; Toleikis, S.; Adolph, M.; Flückiger, L.; Gorkhover, T.; Nösel, L.; Krikunova, M.; Oelze, T.; Ovcharenko, Y.; Rupp, D.; Sauppe, M.; Wolter, D.; Schorb, S.; Bostedt, C.; Möller, T.; Laarmann, T.

2014-05-01

Highly charged ions are formed in the center of composite clusters by strong free-electron laser pulses and they emit fluorescence on a femtosecond time scale before competing recombination leads to neutralization of the nanoplasma core. In contrast to mass spectrometry that detects remnants of the interaction, fluorescence in the extreme ultraviolet spectral range provides fingerprints of transient states of high energy density matter. Spectra from clusters consisting of a xenon core and a surrounding argon shell show that a small fraction of the fluorescence signal comes from multiply charged xenon ions in the cluster core. Initially, these ions are as highly charged as the ions in the outer shells of pure xenon clusters with charge states up to at least 11+.

Monitoring state-of-charge of Ni-MH and Ni-Cd batteries using impedance spectroscopy

NASA Astrophysics Data System (ADS)

Hammouche, Abderrezak; Karden, Eckhard; De Doncker, Rik W.

This paper reports on laboratory studies into the ac impedance spectra of nickel-metal hydride and nickel-cadmium batteries, aiming at finding out possible correlation between electrical parameters, extracted directly from the high frequency region, and the battery state-of-charge (SoC). Impedance diagrams were recorded immediately after interrupting the dc charge, or discharge, current. The study revealed that the series resonance frequency, at which the dynamic cell behavior switches from an inductive character ( Z″>0) to a capacitive one ( Z″<0), varied monotonously as a function of state-of-charge. This behavior was reproducible after intermittent charge and discharge. Half-cell measurements were also conducted to associate the cell impedance with either processes occurring at the positive or negative plates.

Analysis of linear energy transfers and quality factors of charged particles produced by spontaneous fission neutrons from 252Cf and 244Pu in the human body.

PubMed

Endo, Akira; Sato, Tatsuhiko

2013-04-01

Absorbed doses, linear energy transfers (LETs) and quality factors of secondary charged particles in organs and tissues, generated via the interactions of the spontaneous fission neutrons from (252)Cf and (244)Pu within the human body, were studied using the Particle and Heavy Ion Transport Code System (PHITS) coupled with the ICRP Reference Phantom. Both the absorbed doses and the quality factors in target organs generally decrease with increasing distance from the source organ. The analysis of LET distributions of secondary charged particles led to the identification of the relationship between LET spectra and target-source organ locations. A comparison between human body-averaged mean quality factors and fluence-averaged radiation weighting factors showed that the current numerical conventions for the radiation weighting factors of neutrons, updated in ICRP103, and the quality factors for internal exposure are valid.

Grid regulation services for energy storage devices based on grid frequency

DOEpatents

Pratt, Richard M; Hammerstrom, Donald J; Kintner-Meyer, Michael C.W.; Tuffner, Francis K

2013-07-02

Disclosed herein are representative embodiments of methods, apparatus, and systems for charging and discharging an energy storage device connected to an electrical power distribution system. In one exemplary embodiment, a controller monitors electrical characteristics of an electrical power distribution system and provides an output to a bi-directional charger causing the charger to charge or discharge an energy storage device (e.g., a battery in a plug-in hybrid electric vehicle (PHEV)). The controller can help stabilize the electrical power distribution system by increasing the charging rate when there is excess power in the electrical power distribution system (e.g., when the frequency of an AC power grid exceeds an average value), or by discharging power from the energy storage device to stabilize the grid when there is a shortage of power in the electrical power distribution system (e.g., when the frequency of an AC power grid is below an average value).

Grid regulation services for energy storage devices based on grid frequency

DOEpatents

Pratt, Richard M.; Hammerstrom, Donald J.; Kintner-Meyer, Michael C. W.; Tuffner, Francis K.

2017-09-05

Disclosed herein are representative embodiments of methods, apparatus, and systems for charging and discharging an energy storage device connected to an electrical power distribution system. In one exemplary embodiment, a controller monitors electrical characteristics of an electrical power distribution system and provides an output to a bi-directional charger causing the charger to charge or discharge an energy storage device (e.g., a battery in a plug-in hybrid electric vehicle (PHEV)). The controller can help stabilize the electrical power distribution system by increasing the charging rate when there is excess power in the electrical power distribution system (e.g., when the frequency of an AC power grid exceeds an average value), or by discharging power from the energy storage device to stabilize the grid when there is a shortage of power in the electrical power distribution system (e.g., when the frequency of an AC power grid is below an average value).

Grid regulation services for energy storage devices based on grid frequency

DOEpatents

Pratt, Richard M; Hammerstrom, Donald J; Kintner-Meyer, Michael C.W.; Tuffner, Francis K

2014-04-15

Disclosed herein are representative embodiments of methods, apparatus, and systems for charging and discharging an energy storage device connected to an electrical power distribution system. In one exemplary embodiment, a controller monitors electrical characteristics of an electrical power distribution system and provides an output to a bi-directional charger causing the charger to charge or discharge an energy storage device (e.g., a battery in a plug-in hybrid electric vehicle (PHEV)). The controller can help stabilize the electrical power distribution system by increasing the charging rate when there is excess power in the electrical power distribution system (e.g., when the frequency of an AC power grid exceeds an average value), or by discharging power from the energy storage device to stabilize the grid when there is a shortage of power in the electrical power distribution system (e.g., when the frequency of an AC power grid is below an average value).

Measurement of charged pion, kaon, and proton production in proton-proton collisions at √{s }=13 TeV

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.; Dvornikov, O.; Makarenko, V.; Mossolov, V.; 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.; 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.; Fonseca De Souza, S.; 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.; Torres Da Silva De Araujo, F.; 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. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Abdelalim, A. A.; Mohammed, Y.; Salama, E.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; 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.; Ghosh, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Miné, P.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, 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.; Le Bihan, A.-C.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Carrillo Montoya, C. A.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Toriashvili, T.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Verlage, T.; Albert, A.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Cherepanov, V.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Lingemann, J.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bin Anuar, A. A.; Borras, K.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Dolinska, G.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. M.; Grohsjean, A.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Keaveney, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Lenz, T.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Ã.-.; Saxena, P.; Schoerner-Sadenius, T.; Spannagel, S.; Stefaniuk, N.; Van Onsem, G. P.; Walsh, R.; Wissing, C.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baur, S.; Baus, C.; Berger, J.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Fink, S.; Freund, B.; Friese, R.; Giffels, M.; Gilbert, A.; Goldenzweig, P.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Kassel, F.; Katkov, I.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Filipovic, N.; Pasztor, G.; Bencze, G.; Hajdu, C.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.; Bartók, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Komaragiri, J. R.; Bahinipati, S.; Bhowmik, S.; Choudhury, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Bhawandeep, U.; Chawla, R.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Kumari, P.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.; Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. B.; Keshri, S.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, R.; Sharma, V.; Bhattacharya, R.; Bhattacharya, S.; Chatterjee, K.; Dey, S.; Dutt, S.; Dutta, S.; Ghosh, S.; Majumdar, N.; Modak, A.; Mondal, K.; Mukhopadhyay, S.; Nandan, S.; Purohit, A.; Roy, A.; Roy, D.; Roy Chowdhury, S.; Sarkar, S.; Sharan, M.; Thakur, S.; Behera, P. K.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Netrakanti, P. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Dugad, S.; Kole, G.; Mahakud, B.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sur, N.; Sutar, B.; Banerjee, S.; Dewanjee, R. K.; Ganguly, S.; Guchait, M.; Jain, Sa.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Sarkar, T.; Wickramage, N.; Chauhan, S.; Dube, S.; Hegde, V.; Kapoor, A.; Kothekar, K.; Pandey, S.; Rane, A.; Sharma, S.; Chenarani, S.; Eskandari Tadavani, E.; Etesami, S. M.; 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.; 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.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; 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.; Albergo, S.; Costa, S.; Di Mattia, A.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Lenzi, P.; Meschini, M.; Paoletti, S.; Russo, L.; Sguazzoni, G.; Strom, D.; Viliani, L.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Primavera, F.; Calvelli, V.; Ferro, F.; Monge, M. R.; Robutti, E.; Tosi, S.; Brianza, L.; Brivio, F.; Ciriolo, V.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Malberti, M.; Malvezzi, S.; Manzoni, R. A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Pigazzini, S.; Ragazzi, S.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; De Nardo, G.; Di Guida, S.; Fabozzi, F.; Fienga, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Carvalho Antunes De Oliveira, A.; Checchia, P.; Dall'Osso, M.; De Castro Manzano, P.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Zanetti, M.; Zotto, P.; Zumerle, G.; Braghieri, A.; Fallavollita, F.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Mariani, V.; Menichelli, M.; Saha, A.; Santocchia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Giassi, A.; Grippo, M. 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M.; Evans, 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.; Bloom, K.; Claes, D. R.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Malta Rodrigues, A.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Nguyen, D.; 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.; Rupprecht, N.; 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.; Ojalvo, I.; 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.; Osherson, M.; 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.; 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.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.; CMS Collaboration

2017-12-01

Transverse momentum spectra of charged pions, kaons, and protons are measured in proton-proton collisions at √{s }=13 TeV with the CMS detector at the LHC. The particles, identified via their energy loss in the silicon tracker, are measured in the transverse momentum range of pT≈0.1 - 1.7 GeV /c and rapidities |y | <1 . The pT spectra and integrated yields are compared to previous results at smaller √{s } and to predictions of Monte Carlo event generators. The average pT increases with particle mass and charged particle multiplicity of the event. Comparisons with previous CMS results at √{s }=0.9 , 2.76, and 7 TeV show that the average pT and the ratios of hadron yields feature very similar dependences on the particle multiplicity in the event, independently of the center-of-mass energy of the pp collision.

Production of soft X-ray emitting slow multiply charged ions - Recoil ion spectroscopy

NASA Technical Reports Server (NTRS)

Sellin, I. A.; Elston, S. B.; Forester, J. P.; Griffin, P. M.; Pegg, D. J.; Peterson, R. S.; Thoe, R. S.; Vane, C. R.; Wright, J. J.; Groeneveld, K.-O.

1977-01-01

S ions with a mean charge state of about 14+ and Cl ions with a mean charge state of 12+ were used to study Ne L-shell vacancy production. The ions caused copious production of NeII-NeVIII excited states with approximately 10 to the minus 18 sq cm cross sections. The induced recoil velocities might have application to a significantly higher resolution spectroscopy than is possible with beam-foil methods.

Enhanced electrohydrodynamic force generation in a two-stroke cycle dielectric-barrier-discharge plasma actuator

NASA Astrophysics Data System (ADS)

Sato, Shintaro; Takahashi, Masayuki; Ohnishi, Naofumi

2017-05-01

An approach for electrohydrodynamic (EHD) force production is proposed with a focus on a charge cycle on a dielectric surface. The cycle, consisting of positive-charging and neutralizing strokes, is completely different from the conventional methodology, which involves a negative-charging stroke, in that the dielectric surface charge is constantly positive. The two-stroke charge cycle is realized by applying a DC voltage combined with repetitive pulses. Simulation results indicate that the negative pulse eliminates the surface charge accumulated during constant voltage phase, resulting in repetitive EHD force generation. The time-averaged EHD force increases almost linearly with increasing repetitive pulse frequency and becomes one order of magnitude larger than that driven by the sinusoidal voltage, which has the same peak-to-peak voltage.

New Estimates of Inferred Ionic Charge States for Solar Energetic Particle Events with ACE and STEREO

NASA Astrophysics Data System (ADS)

Labrador, A. W.; Sollitt, L. S.; Cohen, C. M.; Cummings, A. C.; Leske, R. A.; Mason, G. M.; Mewaldt, R. A.; Stone, E.; von Rosenvinge, T. T.; Wiedenbeck, M. E.

2012-12-01

Solar energetic particle (SEP) mean ionic charge states can depend on source temperatures and populations (e.g. seed populations) and conditions during acceleration and transport such as stripping. Multi-spacecraft observations of charge states from widely separated spacecraft may reveal evidence for seed populations that vary with longitude. In this presentation, we report new estimates of inferred high energy ionic charge states using the Sollitt et al. (2008) method that fits SEP energy-dependent decay times for SEP event elements to derive mean charge states. In the method, intensity decay times during SEP events are fitted for each element for various energies, and then the energy dependence of the decay times is fitted for each element. Finally, charge-to-mass ratios relative to that of a calibration element (carbon in this case) are obtained, and when Q(C)=5.9 is assumed for calibration, mean charge states for other elements can be inferred. Previously, ACE/SIS and ACE/ULEIS data were applied to three SEP events (Nov. 6, 1997; Nov. 4, 2001; Apr. 21, 2002) with this method, and last year, we reported new results for the Dec. 6, 2006 SEP event compatible with SAMPEX/MAST results. Additional work continues to generalize and extend the software to use publicly available online data from ACE and the two STEREO spacecraft. Energy ranges are those covered by the instruments on ACE (e.g. reference element C at <.1 MeV/nuc from ULEIS to ~64 MeV/nuc from SIS) and on STEREO (e.g. C at 3.2 - 33 MeV/nuc from LET). Initial candidate SEP events for multi-spacecraft charge state estimates are those of Mar. 8, 2011, Mar. 21, 2011, Jan. 24, 2012, and Mar. 4, 2012. Results from events observed by single spacecraft may also be reported.

Disentangling Transient Charge Density and Metal–Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering

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

Jay, Raphael M.; Norell, Jesper; Eckert, Sebastian

Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time-resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal–ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. π-Back-donation is found to be mainly determined by themore » metal site occupation, whereas the ligand hole instead influences σ-donation. Here, our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes.« less

Conformational Space and Stability of ETD Charge Reduction Products of Ubiquitin

NASA Astrophysics Data System (ADS)

Lermyte, Frederik; Łącki, Mateusz Krzysztof; Valkenborg, Dirk; Gambin, Anna; Sobott, Frank

2017-01-01

Owing to its versatility, electron transfer dissociation (ETD) has become one of the most commonly utilized fragmentation techniques in both native and non-native top-down mass spectrometry. However, several competing reactions—primarily different forms of charge reduction—occur under ETD conditions, as evidenced by the distorted isotope patterns usually observed. In this work, we analyze these isotope patterns to compare the stability of nondissociative electron transfer (ETnoD) products, specifically noncovalent c/ z fragment complexes, across a range of ubiquitin conformational states. Using ion mobility, we find that more extended states are more prone to fragment release. We obtain evidence that for a given charge state, populations of ubiquitin ions formed either directly by electrospray ionization or through collapse of more extended states upon charge reduction, span a similar range of collision cross-sections. Products of gas-phase collapse are, however, less stabilized towards unfolding than the native conformation, indicating that the ions retain a memory of previous conformational states. Furthermore, this collapse of charge-reduced ions is promoted if the ions are `preheated' using collisional activation, with possible implications for the kinetics of gas-phase compaction.