bluuebunny/crossref_metadata_2025 huggingface dataset:
Modeling the Anisotropic Deformation Response of β‐HMX Molecular Crystals
Authors: Zamiri Amir Reza , De Suvranu
Published: May 2011

In this paper, we develop a computational model for the anisotropic plastic response of β‐HMX molecular crystals based upon experimental data. While phenomenological models of β‐HMX currently exist, they are inadequate as they cannot account for the orientation dependence of the observed response. The proposed model, on the other hand, successfully predicts the experimentally observed highly anisotropic and orientation dependent yield surfaces of β‐HMX molecular crystals having different crystal orientations. The model also correctly predicts the anisotropic plastic yielding of β‐HMX under uniaxial compression at different temperatures along different crystallographic directions. The model presented in this paper may be extended to predict the yielding and elastic–plastic deformation of other energetic molecular crystals.
Study of TATP: Formation of New Chloroderivates of Triacetone Triperoxide
Authors: Matyáš Robert , Jirásko Robert , Lyčka Antonín , Pachmáň Jiří
Published: May 2011

The existence of two new types of chloroderivates of cyclic acetone peroxides – 3‐(chloromethyl)‐3,6,6,9,9‐pentamethyl‐1,2,4,5,7,8‐hexoxonane and 3,6‐bis(chloromethyl)‐3,6,9,9‐tetramethyl‐1,2,4,5,7,8‐hexoxonane was proved by HPLC/MS/MS and NMR in the reaction products when acetone and hydrogen peroxide are mixed in the presence of excess hydrochloric acid (molar ratio hydrochloric acid to acetone nc/na=2.5). The details of analysis, and the conditions under which these asymmetric chloroderivates of cyclic peroxides form, are described.
Sharp bound and free exciton lines from homoepitaxial AlN
Authors: Feneberg Martin , Neuschl Benjamin , Thonke Klaus , Collazo Ramón , Rice Anthony , Sitar Zlatko , Dalmau Rafael , Xie Jinqiao , Mita Seiji , Goldhahn Rüdiger
Published: May 2011

MOCVD AlN layers grown in c‐direction on PVT bulk AlN substrates are investigated by high‐resolution photoluminescence in the energy region of the band gap. The experiments allow for observation of different donor bound exciton lines with a full width at half maximum below 0.5 meV. Assignments are suggested for the substitutional shallow donors silicon and oxygen. The visibility of an excited state of the free exciton with a hole from the highest valence band allows to determine the exciton binding energy to 52.4 meV by use of a simple hydrogen model. The resulting band gap energy is 6.094 eV at 10 K. Comparison with earlier reports on homoepitaxial AlN leads to a new identification of the bands reported there.
Remnant magnetoresistance effect at the intersection of two ferromagnetic (Ga,Mn)As nanowires
Authors: Andrearczyk Tomasz , Wosinski Tadeusz , Figielski Tadeusz , Makosa Andrzej , Krogulec Iwona , Wróbel Jerzy , Sadowski Janusz
Published: May 2011

Cross‐like nanostructures composed of two perpendicular ferromagnetic (Ga,Mn)As nanowires were fabricated using electron‐beam lithography patterning. Nanostructures of different orientations with respect to the crystallographic axes of the parent (Ga,Mn)As epitaxial layer were studied. Electrical resistance of individual nanowires as a function of applied magnetic field were investigated at low temperatures. Low‐field magnetoresistance (MR) of the nanowires exhibits hysteresis‐like behaviour and related remnant resistance in zero magnetic field. These effects are explained in terms of magnetic domain walls (DWs) pinned at the wires intersection, which contribute to the wire resistance. The DW resistivity, which depends on the degree of spin misalignment in the wall, has been determined to be of the order of 1 Ω µm2. High‐field MR has, in turn, allowed determining the lithography‐induced anisotropy field for the nanowires of different crystallographic orientations.
Synthesis and properties of Na3YSi2O7:Eu3+ phosphor for fluorescent lamp
Authors: Sakamoto T. , Kousaka S. , Uematsu K. , Ishigaki T. , Toda K. , Sato M.
Published: May 2011

Eu3+ doped Na3YSi2O7 phosphors were prepared by a solid state reaction. It was found that the excitation spectra included two regions: i.e. the broad excitation band at 237 nm and narrow peaks at 395 nm and 463 nm. The peak located at 237 nm was assigned to the combination of the charge transfer transition of O‐Eu, while the peaks at 395 nm and 463 nm were assigned to the f‐f transitions of Eu3+. The emission spectrum was dominated by the red peak located at 612 nm due to the electric dipole transition of 5D0‐7F2. The Eu3+ doped Na3YSi2O7 phosphor was suitable for use in fluorescent lamps and white LED applications. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Telluride films and waveguides for IR integrated optics
Authors: Barthélémy Eléonore , Vigreux Caroline , Parent Gilles , Barillot Marc , Pradel Annie
Published: May 2011

The fabrication of micro‐components for far infrared applications such as spatial interferometry requires the realization of single‐mode channel waveguides being able to work in the infrared region. One of the key issues in case of channel waveguides is the selection of materials for the core layer. Amorphous telluride films are particularly attractive for their transparency in a large spectral domain in the infrared region. A second key issue is the selection of an appropriate method for film deposition. Indeed, waveguides for far infrared applications are characterized by a thick core layer (10‐15 µm, typically). The challenge is thus to select a deposition method which ensures the deposition of thick films of optical quality. In this paper, it is shown that thermal co‐evaporation meets this challenge. In particular, it allows varying the composition of the films very easily and thus adjusting their optical properties (refractive index, optical band gap). The example of thermally co‐evaporated Te‐Ge films is given. Films with typical thickness of 7‐15 µm were elaborated. Their morphological, structural, thermal and optical properties were measured. A particular attention was paid to the checking of the film homogeneity. The realized waveguiding structures and their optical testing are then described. In particular, the first transmission measurements at 10.6 µm are presented. In conclusion, the feasibility of micro‐components based on the stacking and etching of chalcogenide films is demonstrated, opening the door to applications related to detection in the mid‐ and thermal infrared spectral domains (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The influence of ytterbium doping on the optical properties of tellurite glasses
Authors: Jaglarz Janusz , Reben Manuela , Burtan Bozena , Wasylak Jan , Cisowski Jan , Jarzabek Bozena
Published: May 2011

The goal of this work was to investigate the influence of rare earth ion Yb3+ doping on the thermal and optical properties of tellurite glass (TG) of the TeO2‐ZnO‐PbO‐La2O3 system. The reflectance, transmittance and ellipsometric measurements have been done. Decreasing of the refractive index of TG with the Yb3+ ion doping has been concluded. For determination of the refractive index variation in the bulk, the small angle light scatter (SALS) measurements have been carried out. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photo induced changes in the optical properties of thermally evaporated As40Se50Sb10 films
Authors: Naik Ramakanta , Jain Arpitha , Vinod E. M. , Ganesan R. , Sangunni K. S.
Published: May 2011

The thermally evaporated amorphous As40Se50Sb10 thin film of 800 nm thickness was subjected to light exposure for photo induced studies. The changes were accompanied by structural effects, which in turn, lead to changes in the optical properties. The as‐prepared and illuminated thin films were studied by Fourier Transform Infrared Spectroscopy, X‐ray Photoelectron Spectroscopy and Raman Spectroscopy. The optical band gap was reduced due to photo induced effects along with the increase in disorder. These optical properties changes are due to the change of homopolar bond densities. The core level peak shifting in XPS spectra and Raman shift supports the optical changes happening in the film due to light exposure. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Photoluminescence studies of GaAs quantum dots and quantum rings
Authors: Nemcsics Ákos , Balázs János , Pődör Bálint , Makai János , Stemmann Andrea
Published: May 2011

Recently, the growth of self‐assembled quantum structures has been intensively investigated for basics physics and device application. In our work, self‐assembled strain‐free GaAs quantum dots and quantum rings were investigated by the photoluminescence technique. The GaAs nanostructures are fabricated on AlGaAs (001) surface by droplet epitaxy method. Temperature dependent photoluminescence spectra were measured in the range of room temperature and 4 K. We give an explanation on the broadening of the photoluminescence peaks for different quantum structures. The calculated electronic structure is compared with the photoluminescence data (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A novel approach to deliverable power in low‐voltage DC distribution system on the basis of voltage stability
Authors: Mokhtar Yehia Doaa , Yokomizu Yasunobu , Iioka Daisuke , Watanabe Reiji , Matsumura Toshiro
Published: May 2011

This paper proposes that a deliverable power through a low‐voltage DC distribution system has an upper limitation. The upper limitation of the deliverable power, Plim, is explained on the basis of a voltage instability phenomenon occurring for the load with a voltage sensitivity below 1. From theoretical‐calculation results, it is pointed out that Plim diminishes with augment in the distribution‐line length. This phenomenon becomes more distinct for the higher distribution‐line inductance per unit length. Connection of the capacitor to the receiving end of the distribution line is discussed as a method for rising Plim. Measurements of the voltage waveform at the load terminals successfully support Plim derived from the theoretical calculation. © 2011 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
A study of mesh deformation methods for magnetic field analysis
Authors: Miwa Masahiko , Tani Koji , Yamada Takashi , Wakao Shinji
Published: May 2011

In this paper, we describe a study of mesh deformation methods for magnetic field analysis. We propose an efficient method that is a combination of two conventional mesh deformation methods. We numerically estimate the basic performance of the proposed method and conventional methods using three‐dimensional mesh models for magnetic field analysis. We highlight the advantages of the proposed method with respect to its robustness and computational cost. © 2011 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Bio‐distribution and in vivo antioxidant effects of cerium oxide nanoparticles in mice
Authors: Hirst Suzanne Marie , Karakoti Ajay , Singh Sanjay , Self William , Tyler Ron , Seal Sudipta , Reilly Christopher M.
Published: May 2011

Cerium oxide nanoparticles have oxygen defects in their lattice structure that enables them to act as a regenerative free radical scavenger in a physiological environment. We performed a comprehensive in vivo analysis of the biological distribution and antioxidant capabilities of nanoceria administered to mice perorally (PO), intravenously (IV), or intraperitoneally (IP) by dosing animals weekly for 2 or 5 weeks with 0.5 mg kg−1 nanoceria. Next, we examined if nanoceria administration would decrease ROS production in mice treated with carbon tetrachloride (CCl4). Our results showed that the most extensive and cumulative nano‐deposition was via IV and IP administered while PO administration showed mice excreted greater than 95% of their nanoceria within 24 h. Organ deposition for IV and IP mice was greatest in the spleen followed by the liver, lungs, and kidneys. Elimination for all administration routes was through feces. Nanoceria administration showed no overt toxicity, however, WBC counts were elevated with IV and IP administration. Our in vivo studies show that nanoceria administration to mice with induced liver toxicity (by CCl4) showed similar findings to mice treated with N‐acetyl cystine (NAC), a common therapeutic to reduce oxidative stress. Taken together, our studies show that nanoceria remains deposited in tissues and may decrease ROS, thereby suggesting that cerium oxide nanoparticles may be a useful antioxidant treatment for oxidative stress. © 2011 Wiley Periodicals, Inc. Environ Toxicol 2013.
Design and coordination of a capacitor and on‐load tap changer system for voltage control in a wind power plant of doubly fed induction generator wind turbines
Authors: Martínez Jorge , Rodriguez Pedro , Kjær Philip C. , Teodorescu Remus
Published: May 2011

Larger percentages of wind power penetration into the grid translate to more demanding requirements coming from grid codes; for example, voltage support at the point of connection has been introduced recently by several grid codes from around the world, thus making it important to analyse this control. Voltage control is actuated by reactive power injection, and for a wind power plant of doubly fed generator turbines, reactive power capability can be a challenge, which typically is overcome by installing reactive power compensators. The integration and the interaction between all these reactive power sources and the on‐load tap changer of the main substation transformer need to be analysed and taken into account in the control design.

In this paper, a novel coordination and control strategy for capacitor banks and on‐load tap changer for a wind power plant is introduced. The capacitor banks are controlled in such way that the steady‐state usage of the converters for reactive power injection is driven below to a maximum desired value of 0.1 pu. Additionally, the control transients because of the capacitor bank switching are minimized by using a suitable control structure. The tap changer control is coordinated with the plant control to decrease the impact of the capacitors reactive power in the line drop calculation, thus reducing the amount of tap operations and improving the accuracy of the line drop voltage estimation.

The coordination of the central controller with the plant components is analysed and tested through electromagnetic transient program simulations. Copyright © 2011 John Wiley & Sons, Ltd.
Isolation of compensatory inhibitor domain mutants to novel activation domain variants using the split‐ubiquitin screen
Authors: Campbell Robert N. , Westhorpe Frederick , Reece Richard J.
Published: May 2011

The control of transcription factor function plays an important role in the development of many processes in eukaryotes, such as drug resistance in fungi and human tumours undergoing chemotherapy. Detailed molecular mapping of the interactions between transcription factors and their protein partners can give important information about their mechanisms of action and reveal potential therapeutic targets. We devised a genetic screening system for mapping the interaction site between the Saccharomyces cerevisiae transcription factor‐inhibitor pair Gal4p and Gal80p. A novel Gal4p activation domain mutant, L868K, was produced, which prevented it interacting with Gal80p. The split‐ubiquitin system was used with a mutant GAL80 library in order to screen for compensatory mutants in Gal80p which would restore binding with L868K. Five single amino acid residue compensatory mutations in Gal80p which restored the interaction with Gal4p(L868K) were isolated. These compensatory mutations were specific to L868K as they were unable to restore the interaction with two other Gal4p mutants that were incapable of interacting with Gal80p. Mutations within Gal80p that were capable of compensating for Gal4p (L868K) clustered inside a Gal80p surface cleft, supporting the idea that this area is important for Gal4p binding. Our data suggest a way to generate information about interaction sites that should be applicable to any transcription factor. Copyright © 2011 John Wiley & Sons, Ltd.
Putting a value on the avoidance of false positive results when screening for inherited metabolic disease in the newborn
Authors: Dixon Simon , Shackley Phil , Bonham Jim , Ibbotson Rachel
Published: May 2011

Despite the increase in the number of inherited metabolic diseases that can be detected at birth using a single dried blood spot sample, the impact of false positive results on parents remains a concern. We used an economic approach – the contingent valuation method – which asks parents to give their maximum willingness to pay for an extension in a screening programme and the degree to which the potential for false positive results diminishes their valuations. 160 parents of a child or children under the age of 16 years were surveyed and given descriptions of the current screening programme in the UK, an extended programme and an extended programme with no false positives. 148 (92.5%) respondents said they would accept the screen for the five extra conditions in an expanded screening programme whilst 10 (6.3%) said they would not and two were unsure. When asked to indicate if they would choose to be screened under an expanded screening programme with no false positive results, 152 (95%) said they would, five (3.1%) said they would not, two were unsure, and there was one non‐response. 151 (94.4%) said they preferred the hypothetical test with no false‐positives. The mean willingness to pay for the expanded programme was £178 compared to £219 for the hypothetical expanded programme without false positives (p > 0.05). The results suggest that there is widespread parental support for extended screening in the UK and that the number of false‐positives is a relatively small issue.
A New Protest Culture in Western Europe?
Authors: Hartleb Florian
Published: May 2011

Given that the huge protest waves of 1968, the early 1980s and 1989-1990 can now be regarded as past history in European democracy, the question now is whether a new protest culture is emerging in Western Europe. New protest literature has reached the top of bestseller lists, giving some evidence of ‘citizens in anger’. The new face of protest today is influenced by political agendas in reaction to recent parliamentary and governmental actions. In fact, although confidence in legislatures and governments is decreasing, there is no general distrust of coherent polities within European national systems. European representative democracies may come under civic pressure in future unless some new means of significant participation are created.
Market Orientation Processes – Looking Forward
Authors: Young Louise
Published: May 2011

This paper focuses on Rong and Wilkinson's (2011) recognition of market orientation as process related and considers the implications for research into these processes. Considered are the nature and role of processes and mechanisms by which firms “orient” to the markets in which they operate. Research into processes and their mechanisms represent an important but neglected area of research into firms’ market activities. Methods that can be used to study processes are considered with agent-based simulation highlighted as a particularly fruitful way of doing so.
Schmerzchronifizierung: Alte und neue Therapiestrategien
Authors: Konrad
Published: May 2011

Patienten mit chronischen Schmerzen müssen in einem multimodalen Therapiekonzept betreut werden. Die anregende Gestaltung des Patientenumfeldes könnte ein weiterer künftiger Therapiebaustein werden.
Une ascite peu ordinaire…
Authors: Miéville  , Maillard Dewarrat  , Bauer
Published: May 2011

Der Aszites ist sowohl in der ambulanten als auch in der stationären inneren Medizin ein relativ häufiger Befund. Differentialdiagnostisch kommen allerdings auch seltene Pathologien in Frage, die eine rasche Beurteilung erfordern, um die entsprechende Behandlung frühzeitig einleiten und somit die Prognose des Patienten verbessern zu können. Wir berichten über einen 50-jährigen Patienten mit einem progredienten Aszites im Rahmen einer Peritonealkarzinose. Histopathologisch handelt es sich um ein malignes peritoneales Meostheliom.
Principles of Relationship Differentiation
Authors: Neyer Franz J. , Wrzus Cornelia , Wagner Jenny , Lang Frieder R.
Published: May 2011

The authors propose a model of relationship differentiation that is based on two psychological mechanisms, the regulation of emotional closeness and the monitoring of reciprocity. Both combined are expected to define relationship systems of differential reproductive significance: Relative to others, kin relationships are predicted by higher closeness and lower reciprocity, cooperative (non-kin) relationships by lower closeness and higher reciprocity, and partner relationships by both higher closeness and higher reciprocity. These assumptions could be confirmed by two studies involving 455 young adults and 171 middle-aged couples from different family forms (i.e., traditional and patchwork families, involuntary and motivated childless couples). Effects varied primarily due to parental investment such that parental partners become less distinguishable from kin, or, in other words, more like “elected kin”. Results highlight the flexibility of relationship differentiation.
Rejection Sensitivity, Self-Esteem Instability, and Relationship Outcomes
Authors: Göncü Asli , Sümer Nebi
Published: May 2011

This study examined whether responsibility attributions for self and partner behaviors differentially mediate the link between rejection sensitivity (RS), unstable self-esteem (USE), and relationship outcomes (i.e., violence and silencing the self, STS). Individuals in dating relationships in Turkey (N = 177) completed the measures of attributions for self and partner behaviors, RS, USE, violence, and STS. The results indicated that RS and USE had indirect effects on violence via attributions for partner behaviors. Attributions for self-behaviors mediated the relationship between RS together with USE and silencing the self-behaviors. Furthermore, USE was directly associated with silencing the self behaviors. The findings were discussed in terms of theoretical and practical implications as well as directions for future research.
The Impact of Anglicizing Former German-Language Psychology Journals on Authorship and Citation Frequencies
Authors: Krampen Günter , Huckert Thomas , Schui Gabriel
Published: May 2011

Exemplary for other than English-language psychology journals, the impact of recent Anglicization of five former German-language psychology journals on (1) authorship (nationality, i.e., native language, and number of authors, i.e., single or multiple authorships), (2) formal characteristics of the journal (number of articles per volume and length of articles), and (3) number of citations of the articles in other journal articles, the language of the citing publications, and the impact factors (IF) is analyzed. Scientometric data on these variables are gathered for all articles published in the four years before anglicizing and in the four years after anglicizing the same journal. Results reveal rather quick changes: Citations per year since original articles’ publication increase significantly, and the IF of the journals go up markedly. Frequencies of citing in German-language journals decrease, citing in English-language journals increase significantly after the Anglicization of former German-language psychology journals, and there is a general trend of increasing citations in other languages as well. Side effects of anglicizing former German-language psychology journals include the publication of shorter papers, their availability to a more international authorship, and a slight, but significant increase in multiple authorships.
Successful Entrepreneurship as Developmental Outcome
Authors: Obschonka Martin , Silbereisen Rainer K. , Schmitt-Rodermund Eva
Published: May 2011

Applying a lifespan approach of human development, this study examined pathways to entrepreneurial success by analyzing retrospective and current data. Along the lines of McClelland’s ideas of early entrepreneurship development and Rauch and Frese’s Giessen-Amsterdam model on venture success, we investigated the roles of founders’ adolescent years (early role models, authoritative parenting, and early entrepreneurial competence), personality traits (Big Five pattern), and entrepreneurial skills and growth goals during venture creation. Findings were derived from structural equation modeling studying two comparable samples of founders (N = 531) and nascent founders (N = 100) from Germany. Across both samples, reports on age-appropriate entrepreneurial competence in adolescence and an entrepreneurial Big Five profile predicted entrepreneurial skills during venture creation, which in turn predicted founders’ setting of ambitious growth goals and entrepreneurial success. Early entrepreneurial competence was related to the availability of entrepreneurial role models and authoritative parenting during adolescence as well as to an entrepreneurial Big Five profile. In line with prospective reports on early precursors of entrepreneurship, the findings illuminate the development of entrepreneurship in general and entrepreneurial success in particular over the lifespan, especially with regard to factors relevant in the adolescent years and the interplay with personality across different developmental periods.
Atmospheric loading effects on free‐draining lysimeters
Authors: Munk J. , Schnabel W. E. , Barnes D. , Lee W.
Published: May 2011

Temporal atmospheric pressure variations introduce an artifact into percolation measurements in free‐draining lysimeters. This anomaly is associated with transient pressure gradients that occur as fluid and gas pressures within the lysimeter equilibrate with atmospheric pressure changes at the drain. On the basis of harmonic (Fourier) analysis of a large (20 m × 10 m × 1.8 m) free‐draining lysimeter, hourly percolation was maximally affected by pressure variations of ∼2 cycles per day, with the effect decreasing with decreasing frequency. Compared to the calculated pressure differences at the drain, the measured phase delay between percolation and the atmospheric pressure was less by ∼45°, which we attribute to an additional phase lag existing between the percolation and pressure difference at the drain. These pressure‐induced changes in percolation rate can influence the outcome of water balances conducted via free‐draining lysimeters.
Lower Extremity Fat Mass Is Associated With Insulin Resistance in Overweight and Obese Individuals: The CARDIA Study
Authors: Shay Christina M. , Carnethon Mercedes R. , Church Timothy R. , Hankinson Arlene L. , Chan Cheeling , Jacobs‐Jr David R. , Lewis Cora E. , Schreiner Pamela J. , Sternfeld Barbara , Sidney Stephen
Published: May 2011

Lower extremity fat mass (LEFM) has been shown to be favorably associated with glucose metabolism. However, it is not clear whether this relationship is similar across varying levels of obesity. We hypothesized that lower amounts of LEFM is associated with higher insulin resistance (IR) and this association may vary according to weight status. Participants with available measures were examined from the Coronary Artery Risk Development in Young Adults study (CARDIA), a multi‐center longitudinal study of the etiology of atherosclerosis in black and white men and women aged 38–50 years old in 2005–2006 (n = 1,579). The homeostasis model assessment of IR (HOMAIR) was calculated to estimate IR, regional adiposity was measured using dual energy X‐ray absorptiometry (DXA), and weight status was defined according to BMI categories. Obese and overweight participants exhibited higher IR, total fat mass (FM), trunk FM (TFM), and LEFM compared to normal weight participants. After controlling for age, height, race, study center, education, smoking, and cardiorespiratory fitness (CRF), greater LEFM was significantly associated with higher IR only in normal weight men and women. Further adjustment for TFM revealed that lower LEFM was significantly associated with higher IR in overweight and obese men and women and the positive association in normal weight individuals was attenuated. These results suggest that excess adiposity in the lower extremities may attenuate the metabolic risk observed at a given level of abdominal adiposity in overweight and obese individuals. Weight status presents additional complexity since the metabolic influence of adipose tissue may not be homogenous across anatomic regions or level of obesity.
Time Use and Food Pattern Influences on Obesity
Authors: Kolodinsky Jane M. , Goldstein Amanda B.
Published: May 2011

The rise of obesity in the United States over the past 25 years has resulted in an increase in the number of research studies published related to the causes, consequences, and possible solutions to the problem. Most would agree that obesity is a multi‐dimensional problem that requires a range of solutions related to individual diet and activity, food and built environment, and public policy. Examination of complex relationships between food choice, time use patterns, sociodemographic characteristics and obesity has been limited by data availability and disciplinary focus. Using the theory of the production of health capital, this paper links empirical data from the Consumer Expenditure, Current Population, and American Time Use Surveys to provide estimates of the impacts of food expenditure and time use patterns on obesity in single female headed households of 31–50 years of age.
Effects of target charging and ion emission on the energy spectrum of emitted electrons
Authors: Link A. , Freeman R. R. , Schumacher D. W. , Van Woerkom L. D.
Published: May 2011

We present numerical simulations of the energy spectrum of electrons escaping from a target struck by an ultra-intense laser pulse using 2D implicit hybrid particle in cell code LSP (large scale plasma) [D. R. Welch et al., Phys. Plasmas 13, 063105 (2006)] and simple 1D capacitor model. The simulated energy spectrum as recorded by an electron spectrometer is found to differ significantly from the spectrum computed within the target. Analysis of the LSP simulations suggests two major mechanisms are responsible for this phenomenon: (1) The emitted electron energy spectrum is heavily influenced by the self-consistent electric fields generated along the target surface as the electrons escape and (2) these fields are themselves substantially modified by the simultaneous departure of accelerated surface ions. For electrons with internal energy greater than 4 MeV, both models predict a good correlation between the slope temperature of the input electron spectrum and that measured in a vacuum. We discuss the application of the inversion problem of obtaining internal electron energy distributions from experimental data.
State-to-state differential and relative integral cross sections for rotationally inelastic scattering of H2O by hydrogen
Authors: Yang C.-H. , Sarma G. , Parker D. H. , ter Meulen J. J. , Wiesenfeld L.
Published: May 2011

State-to-state differential cross sections (DCSs) for rotationally inelastic scattering of H2O by H2 have been measured at 71.2 meV (574 cm−1) and 44.8 meV (361 cm−1) collision energy using crossed molecular beams combined with velocity map imaging. A molecular beam containing variable compositions of the (J = 0, 1, 2) rotational states of hydrogen collides with a molecular beam of argon seeded with water vapor that is cooled by supersonic expansion to its lowest para or ortho rotational levels (JKaKc = 000 and 101, respectively). Angular speed distributions of fully specified rotationally excited final states are obtained using velocity map imaging. Relative integral cross sections are obtained by integrating the DCSs taken with the same experimental conditions. Experimental state-specific DCSs are compared with predictions from fully quantum scattering calculations on the most complete H2O-H2 potential energy surface. Comparison of relative total cross sections and state-specific DCSs show excellent agreement with theory in almost all details.
Characterization and focusing of light ion beams generated by ultra-intensely irradiated thin foils at the kilojoule scale
Authors: Offermann D. T. , Flippo K. A. , Cobble J. , Schmitt M. J. , Gaillard S. A. , Bartal T. , Rose D. V. , Welch D. R. , Geissel M. , Schollmeier M.
Published: May 2011

We present the first observations of focused multi-MeV carbon ion beams generated using ultra-intense shortpulse laser interactions with thin hemispherical (400μm radius) targets. The experiments were performed at the Trident laser facility (80 J, 0.6 ps, 2×1020W/cm2) at Los Alamos National Laboratory and at the Omega EP (extended performance) facility (1 kJ, 10 ps, 5×1018W/cm2) at the Laboratory for Laser Energetics. The targets were chemical vapor deposition diamond, hemi-shells and were heated to remove contaminants. The ion beam focusing was characterized by tracing the projection of a witness mesh in the ion beam on a lithium fluoride nuclear activation detector. From the data, we infer that the divergence of the beam changes as a function of time. We present a 2-D isothermal model to explain the dynamics. We also present discrepancies in the peak proton and carbon ion energies from the two facilities. The implication of which is a fundamental difference in the temporal evolution of the beams from the two facilities. Simulations using the hybrid particle in cell code, Lsp were performed and compared with the experiments.
The nature of singlet excitons in oligoacene molecular crystals
Authors: Yamagata H. , Norton J. , Hontz E. , Olivier Y. , Beljonne D. , Brédas J. L. , Silbey R. J. , Spano F. C.
Published: May 2011

A theory for polarized absorption in crystalline oligoacenes is presented, which includes Frenkel exciton coupling, the coupling between Frenkel and charge-transfer (CT) excitons, and the coupling of all neutral and ionic excited states to the dominant ring-breathing vibrational mode. For tetracene, spectra calculated using all Frenkel couplings among the five lowest energy molecular singlet states predict a Davydov splitting (DS) of the lowest energy (0–0) vibronic band of only −32 cm−1, far smaller than the measured value of 631 cm−1 and of the wrong sign—a negative sign indicating that the polarizations of the lower and upper Davydov components are reversed from experiment. Inclusion of Frenkel-CT coupling dramatically improves the agreement with experiment, yielding a 0–0 DS of 601 cm−1 and a nearly quantitative reproduction of the relative spectral intensities of the 0–n vibronic components. Our analysis also shows that CT mixing increases with the size of the oligoacenes. We discuss the implications of these results on exciton dissociation and transport.
Pedestal density fluctuation dynamics during the inter-ELM cycle in DIII-D
Authors: Yan Z. , McKee G. R. , Groebner R. J. , Snyder P. B. , Osborne T. H. , Beurskens M. N. , Burrell K. H.
Published: May 2011

Detailed 2D measurements of long-wavelength density fluctuations in the pedestal region with beam emission spectroscopy during the period between edge localized modes (ELMs) indicate two distinct bands of fluctuations propagating in opposite poloidal directions in the plasma frame: one lower frequency band (50–150 kHz) advects in the ion-diamagnetic drift direction (ion mode) and a higher frequency band (200–400 kHz) advects in the electron diamagnetic drift direction (electron mode). The ion mode amplitude is modulated with the ELM cycle: it increases rapidly after an ELM and then saturates, similar to the evolution of the pedestal electron pressure and density gradients. The electron mode, in contrast, has no significant time evolution between ELMs. The decorrelation time of the ion mode is <5 μs [τc(cs/csaa)≤1], the radial correlation length is of order 10 ρi and has poloidal wave-number kθρi~0.1, and the mode advects at near the ion diamagnetic velocity in the plasma frame. These spatiotemporal dynamics are qualitatively similar to features predicted for kinetic ballooning modes.
Synchrotron x-ray photoemission study of soft x-ray processed ultrathin glycine-water ice films
Authors: Tzvetkov George , Netzer Falko P.
Published: May 2011

Ultrathin glycine-water ice films have been prepared in ultrahigh vacuum by condensation of H2O and glycine at 90 K on single crystalline alumina surfaces and processed by soft x-ray (610 eV) exposure for up to 60 min. The physicochemical changes in the films were monitored using synchrotron x-ray photoemission spectroscopy. Two films with different amounts of H2O have been considered in order to evaluate the influence of the water ice content on the radiation-induced effects. The analysis of C1s, N1s, and O1s spectral regions together with the changes in the valence band spectra indicates that amino acid degradation occurs fast mainly via decarboxylation and deamination of pristine molecules. Enrichment of the x-ray exposed surfaces with fragments with carbon atoms without strong electronegative substituents (C–C and C–H) is documented as well. In the thinner glycine-water ice film (six layers of glycine + six layers of water) the 3D ice suffers strongly from the x-rays and is largely removed from the sample. The rate of photodecomposition of glycine in this film is about 30% higher than for glycine in the thicker film (6 layers of glycine + 60 layers of water). The photoemission results suggest that the destruction of amino acid molecules is caused by the direct interaction with the radiation and that no chemical attack of glycine by the species released by water radiolysis is detected.
A simple polarizable continuum solvation model for electrolyte solutions
Authors: Lange Adrian W. , Herbert John M.
Published: May 2011

We propose a Debye-Hückel-like screening model (DESMO) that generalizes the familiar conductor-like screening model (COSMO) to solvents with non-zero ionic strength and furthermore provides a numerical generalization of the Debye-Hückel model that is applicable to non-spherical solute cavities. The numerical implementation of DESMO is based upon the switching/Gaussian (SWIG) method for smooth cavity discretization, which we have recently introduced in the context of polarizable continuum models (PCMs). This approach guarantees that the potential energy is a smooth function of the solute geometry and analytic gradients for DESMO are reported here. The SWIG formalism also facilitates analytic implementation of two other PCMs that are based on a screened Coulomb potential: the “integral equation formalism” (IEF-PCM) and the “surface and simulation of volume polarization for electrostatics” [SS(V)PE] method. Fully analytic implementations of these screened PCMs are reported here for the first time. Numerical results, for model systems where an exact solution of the linearized Poisson-Boltzmann equation is available, demonstrate that these screened PCMs are highly accurate. In realistic test cases, they are as accurate as the best available three-dimensional finite-difference methods. In polar solvents, DESMO is nearly as accurate as more sophisticated screened PCMs, but is significantly simpler and more efficient.
Complementary metal-oxide semiconductor-compatible detector materials with enhanced 1550 nm responsivity via Sn-doping of Ge/Si(100)
Authors: Roucka Radek , Beeler Richard , Mathews Jay , Ryu Mee-Yi , Kee Yeo Yung , Menéndez José , Kouvetakis John
Published: May 2011

Previously developed methods used to grow Ge1−ySny alloys on Si are extended to Sn concentrations in the 1019−1020 cm−3 range. These concentrations are shown to be sufficient to engineer large increases in the responsivity of detectors operating at 1550 nm. The dopant levels of Sn are incorporated at temperatures in the 370–390 °C range, yielding atomically smooth layers devoid of threading defects at high growth rates of 15–30 nm/min. These conditions are far more compatible with complementary metal-oxide semiconductor processing than the high growth and processing temperatures required to achieve the same responsivity via tensile strain in pure Ge on Si. A detailed study of a detector based on a Sn-doped Ge layer with 0.25% (1.1 × 1020 cm−3) Sn range demonstrates the responsivity enhancement and shows much better I-V characteristics than previously fabricated detectors based on Ge1−ySny alloys with y = 0.02.
Determination of radial location of rotating magnetic islands by use of poloidal soft x-ray detector arrays in the STOR-M tokamak
Authors: Dreval M. , Xiao C. , Elgriw S. , Trembach D. , Wolfe S. , Hirose A.
Published: May 2011

A technique is presented for determining the radial location of the rotating magnetic islands in the STOR-M tokamak by use of soft x-ray (SXR) detector arrays. The location is determined by examining the difference in the integrated SXR emission intensities through two adjacent lines of sight. A model for calculating dependence of the line integrated SXR emission intensity on the radius, the mode numbers and the magnetic island geometry, has been developed. The SXR difference signal shows phase inversion when the impact parameter of the line of sight sweeps across the magnetic islands. Experimentally, the difference SXR signals significantly reduce noise and suppress the influence of background plasma fluctuations through common mode rejection when a dominant mode exists in the STOR-M tokamak. The radial locations of the m = 2 magnetic islands have been determined under several experimental conditions in the STOR-M discharges. With the decrease in the tokamak discharge current and thus the increase of the safety factor at the edge, the radial location of the m = 2 magnetic islands has been found to move radially inward.
Dyson orbitals of N2O: Electron momentum spectroscopy and symmetry adapted cluster-configuration interaction calculations
Authors: Miao Y. R. , Ning C. G. , Liu K. , Deng J. K.
Published: May 2011

Electron momentum spectroscopy and symmetry adapted cluster-configuration interaction (SAC-CI) theory were combined to study electron correlation effects in nitrous oxide molecule (N2O). The SAC-CI General-R method accurately reproduced the experimental ionization spectrum. This bench-marked method was also introduced for calculating the momentum distributions of N2O Dyson orbitals. Several calculated momentum distributions with different theoretical methods were compared with the high resolution experimental results. In the outer-valence region, Hartree-Fock (HF), density functional theory (DFT), and SAC-CI theory can well describe the experimental momentum distributions. SAC-CI presented a best performance among them. In the inner-valence region, HF and DFT cannot work well due to the severe breaking of the molecular orbital picture, while SAC-CI still produced an excellent description of experimental momentum profiles because it can accurately take into account electron correlations. Moreover, the thermally averaged calculation showed that the geometrical changes induced by the vibration at room temperature have no noticeable effects on momentum distribution of valence orbitals of N2O.
Theory of vibronic interactions in D2 and H2: A comparison between multichannel-quantum-defect and coupled-equation approaches
Authors: Glass-Maujean M. , Jungen Ch. , Roudjane M. , Tchang-Brillet W.-Ü L.
Published: May 2011

New experimental energy levels for the \documentclass[12pt]{minimal}\begin{document}$2p\pi C ^1\Pi _u^-$\end{document}2pπC1Πu− state of D2 are reported extending up to the dissociation limit and including rotational quantum numbers up to N = 10. These data are extracted from recent high resolution optical emission spectra, and they are used for a detailed comparison of two theoretical approaches, both of which are fully ab initio and are based on the same state-of-the-art clamped-nuclei potential energy curves. These are the coupled differential equations (CE) and the multichannel quantum defect theory (MQDT) approaches, each of which accounts for adiabatic corrections and non-adiabatic couplings. Both theoretical approaches reproduce the experimental levels to within a fraction of a wavenumber unit (cm−1) for the lower vibrational quantum numbers, with the MQDT surpassing the CE method. As the dissociation limit is approached, the residuals observed-calculated increase up to several cm−1 and the MQDT method is up to a factor of two less accurate than the CE method. The same analysis is carried out with existing data for the H2 isotopomer and yields similar results. An analogous comparison is also made for the \documentclass[12pt]{minimal}\begin{document}$3p\pi D^1\Pi _u^-$\end{document}3pπD1Πu− and \documentclass[12pt]{minimal}\begin{document}$4p\pi D^{\prime 1}\Pi _u^-$\end{document}4pπD′1Πu− states for both isotopomers, where the MQDT is found to be superior to the CE approach.
Enhanced ferromagnetism in grain boundary of Co-doped ZnO films: A magnetic force microscopy study
Authors: Lin M. N. , Hsu H. S. , Lai J. Y. , Guo M. C. , Lin C. Y. , Li G. Y. , Chen F. Y. , Huang J. J. , Chen S. F. , Liu C. P. , Huang J. C. A.
Published: May 2011

Microscopic grain structures and magnetic properties of Co-doped ZnO-patterned films were studied by combinatorial atomic force microscopy and magnetic force microscopy (MFM) imaging. Whereas Co-doped ZnO was not uniformly magnetized, Co ions were homogeneously doped in the films and substitute from the Zn sites. Most Co:ZnO grains were weakly ferromagnetic (FM) and surrounded by strong FM foamlike grain boundaries networks. No MFM contrast was observed in pure ZnO films grown under similar conditions. The findings clearly demonstrate that defective grain boundaries and magnetic doping have key roles FM properties of diluted magnetic oxides.
Configuration selection within vibrational multiconfiguration self-consistent field theory: Application to bridged lithium compounds
Authors: Heislbetz Sandra , Pfeiffer Florian , Rauhut Guntram
Published: May 2011

A configuration selection scheme has been used to speed up vibrational multiconfiguration self-consistent field calculations. Deviations with respect to reference calculations were found to be negligible while yielding an acceleration of about two orders of magnitude. Its application to bridged lithium compounds (Li2H2, Li2F2, Li2O2, and Li3F3) based on high-level coupled-cluster potential energy surfaces provides accurate vibrational transitions for all fundamental modes. The explicit inclusion of 4-mode couplings was found to be important for Li2H2.
Effects of electric field on confined electrolyte in a hexagonal mesoporous silica
Authors: Lu Weiyi , Kim Taewan , Han Aijie , Chen Xi , Qiao Yu
Published: May 2011

In an electrowetting experiment on a surface treated hexagonal mesoporous silica, it is noticed that the effective solid-liquid interfacial tension is quite insensitive to the applied voltage, while the accessible nanopore volume decreases significantly as the voltage is increased. When the voltage is higher than 900 V, the liquid infiltration cannot be detected. The liquid defiltration is quite insensitive to the electric field. These unique phenomena may be attributed to the field responsive ion behaviors in the confining nanoenvironment.
Narrow-band acoustic attenuation measurements in vitreous silica at frequencies between 20 and 400 GHz
Authors: Klieber C. , Peronne E. , Katayama K. , Choi J. , Yamaguchi M. , Pezeril T. , Nelson Keith A.
Published: May 2011

Acoustic attenuation rates in vitreous silica in the 20–400 GHz frequency range have been measured using a multiple-pulse optical technique for generation of tunable multicycle acoustic waves that are detected interferometrically after traversal of the sample. The results connect the frequency ranges of several measurement methods, yielding a consistent description of the acoustic behavior.