bluuebunny/crossref_metadata_2025 huggingface dataset:
Multivariate analysis of trace elements in shallow groundwater in Fuchu in western Tokyo Metropolis, Japan
Authors: Thuyet Dang Quoc , Saito Hirotaka , Saito Takeshi , Moritani Shigeoki , Kohgo Yuji , Komatsu Toshiko
Published: March 2016

A rapid increase in the use of ground source heat pump (GSHP) systems for heating and cooling of buildings potentially threatens to harm shallow groundwater quality. As a necessary preliminary step toward evaluating GSHP impact on shallow groundwater quality, this study used multivariate statistical analyses to investigate characteristics of trace elements in groundwater in Fuchu city in western Tokyo Metropolis. Water samples were collected twice a month from two aquifers at 30- and 45-m depths using four observation wells for more than a year. Concentrations of 14 trace elements (Li, B, Al, Cr, Mn, Fe, Ni, Cu, As, Se, Sr, Cd, Sb, and Pb) and Si as well as oxidation–reduction potential (ORP), dissolved oxygen (DO), electrical conductivity (EC), and pH were measured. All elements were under the environmental water quality criteria issued by the Japanese Ministry of the Environment. No clear seasonal trends were observed in the concentrations of 15 elements in groundwater. Principal component analyses showed the element properties were well characterized by three principal components (PC). PC1, which represents the more mobile trace elements in the groundwater, consisted of Li, B, Mn, Fe, As, and Si. PC2 included Al, Ni, Cd, and Sb, and represents ORP-insensitive properties. PC3 consisted of Pb, Cu, and Se, which are less mobile in groundwater. Samples collected from the same aquifer had high similarity in distribution and variation of the trace elements. This study proposes a useful statistical platform for assessing future effects of GSHP systems on shallow groundwater quality.
Establishing quantitative structure tribo-ability relationship model using Bayesian regularization neural network
Authors: Gao Xinlei , Dai Kang , Wang Zhan , Wang Tingting , He Junbo
Published: March 2016

Quantitative structure-activity relationship methods are used to study the quantitative structure triboability relationship (QSTR), which refers to the tribology capability of a compound from the calculation of structure descriptors. Here, we used the Bayesian regularization neural network (BRNN) to establish a QSTR prediction model. Two-dimensional (2D) BRNN–QSTR models can flexibly and easily estimate lubricant-additive antiwear properties. Our results show that electron transfer and heteroatoms (such as S, P, O, and N) in a lubricant-additive molecule improve the antiwear ability. We also found that molecular connectivity indices are good descriptors of 2D BRNN–QSTR models.
Analysis of local ice crystal growth in snow
Authors: KROL QUIRINE , LÖWE HENNING
Published: March 2016

The structural evolution of snow under metamorphism is one of the key challenges in snow modeling. The main driving forces for metamorphism are curvature differences and temperature gradients, inducing water vapor transport and corresponding crystal growth, which is detectable by the motion of the ice/air interface. To provide quantitative means for a microscopic validation of metamorphism models, a VTK-based image analysis method is developed to track the ice/air interface in time-lapseμCT experiments to measure local interface velocities under both, isothermal and temperature gradient conditions. Using estimates of local temperatures from microstructure-based finite element simulations, a quantitative comparison of measured interface velocities with theoretical expressions is facilitated. For isothermal metamorphism, the data are compared with a kinetics and a diffusion limited growth law. In both cases the data are largely scattered but consistently show a mean curvature dependency of the interface velocity. For temperature gradient metamorphism, we confirm that the main contribution stems from the temperature gradient induced vapor flux, accompanied by effects of mean curvature as a secondary process. The scatter and uncertainties are discussed in view of the present theoretical understanding, the experimental setup and complications such as mechanical deformations.
ROME'S ARMS AND BREAST: CLAUDIAN, PANEGYRICVS DICTVS OLYBRIO ET PROBINO CONSVLIBVS 83–90 AND ITS TRADITION
Authors: Bernstein Neil W.
Published: March 2016

Claudian's panegyric for Olybrius and Probinus, the young consuls of 395, includes a passage describing Rome armed in the image of the goddess Minerva. Lines 83–90 read as follows:
ipsa, triumphatis quae possidet aethera regnis,assilit innuptae ritus imitata Mineruae.nam neque caesariem crinali stringere cultu 85colla nec ornatu patitur mollire retorto;dextrum nuda latus, niueos exserta lacertos;audacem retegit mammam laxumque coercensmordet gemma sinum; nodus, qui subleuat ensem,album puniceo pectus discriminat ostro. 90
ASSISTED EMIGRATION AND THE MORAL DILEMMAS OF THE MID-VICTORIAN IMPERIAL STATE
Authors: HARLING PHILIP
Published: March 2016

This article examines three voyages of the late 1840s to advance the argument that emigration – often treated by its historians as ‘spontaneous’ – actually involved the laissez-faire mid-Victorian imperial state in significant projects of social engineering. The tale of the Virginius exemplifies that state's commitment to taking advantage of the Famine to convert the Irish countryside into an export economy of large-scale graziers. The tale of the Earl Grey exemplifies its commitment to transforming New South Wales into a conspicuously moral colony of free settlers. The tale of the Arabian exemplifies its commitment to saving plantation society in the British Caribbean from the twin threats posed by slave emancipation and free trade in sugar. These voyages also show how the British imperial state's involvement in immigration frequently immersed it in ethical controversy. Its strictly limited response to the Irish Famine contributed to mass death. Its modest effort to create better lives in Australia for a few thousand Irish orphans led to charges that it was dumping immoral paupers on its most promising colonies. Its eagerness to bolster sugar production in the West Indies put ‘liberated’ slaves in danger.
Apoptosis of mouse hippocampal cells induced by Taenia crassiceps metacestode factor
Authors: Zepeda N. , Solano S. , Copitin N. , Chávez J.L. , Fernández A.M. , García F. , Tato P. , Molinari J.L.
Published: March 2016

Seizures, headache, depression and neurological deficits are the signs and symptoms most frequently reported in human neurocysticercosis. However, the cause of the associated learning and memory deficits is unknown. Here, we used Taenia crassiceps infection in mice as a model of human cysticercosis. The effects of T. crassiceps metacestode infection or T. crassiceps metacestode factor (MF) treatment on mouse hippocampal cells were studied; control mice were included. At 45 days after infection or treatment of the mice with MF, all mice were anaesthetized and perfused transcardially with saline followed by phosphate-buffered 10% formalin. Then the brains were carefully removed. Coronal sections stained using several techniques were analysed. Extensive and significant apoptosis was found in the experimental animals, mainly in the dentate gyrus, CA1, CA2, CA3 and neighbouring regions, in comparison with the apparently intact cells from control mice (P < 0.01). These results suggest that neurological deficits, especially the learning and memory deficits, may be generated by extensive apoptosis of hippocampal cells.
Beyond morbidity and mortality in reintroduction programmes: changing health parameters in reintroduced eastern bettongs Bettongia gaimardi
Authors: Portas Timothy J. , Cunningham Ross B. , Spratt David , Devlin Joanne , Holz Peter , Batson William , Owens Jane , Manning Adrian D.
Published: March 2016

The eastern bettong Bettongia gaimardi, a potoroid marsupial, has been extinct on the Australian mainland since the 1920s. Sixty adult bettongs were reintroduced from the island of Tasmania to two predator-free fenced reserves on mainland Australia. We examined baseline health parameters (body weight, haematology and biochemistry, parasites and infectious disease exposure) in a subset of 30 (13 male, 17 female) individuals at translocation and again at 12–24 months post-reintroduction. The mean body weight increased significantly post-reintroduction but there were no significant differences in body weight between the two reintroduction sites or between the sexes in response to reintroduction. Differences were evident in multiple haematological and biochemical variables post-reintroduction but there were few differences between the two reintroduced populations or between the sexes in response to reintroduction. Ectoparasite assemblages differed, with five of 13 species failing to persist, and an additional four species were identified post-reintroduction. None of the bettongs had detectable antibodies to the alphaherpesviruses Macropodid herpesvirus 1 and 2 post-reintroduction, including one individual that was seropositive at translocation. Similarly, the novel gammaherpesvirus potoroid herpesvirus 1 was not detected by polymerase chain reaction (PCR) in any of the bettongs post-reintroduction, including one individual that was PCR-positive at translocation. None of the bettongs had detectable antibodies to Toxoplasma gondii either at translocation or post-reintroduction. Our data demonstrate changing baseline health parameters in eastern bettongs following reintroduction to the Australian mainland are suggestive of improved health in the reintroduced populations, and provide additional metrics for assessing the response of macropodoids to reintroduction.
New records of the Endangered Chacoan peccary Catagonus wagneri suggest a broader distribution than formerly known
Authors: Torres Ricardo , Tamburini Daniela , Lescano Julián , Rossi Enzo
Published: March 2016

The Chacoan peccary Catagonus wagneri is the rarest and most threatened of the three extant species of peccary. Its presence has been recorded in the northern Dry Chaco ecoregion, which spans northern Argentina, western Paraguay and south-eastern Bolivia. However, distribution models based on its occurrence in Argentina have predicted that suitable habitat extends southwards into central Argentina, where the species was not previously recorded. We present several records of the species outside the currently accepted distribution, including the first two records in the west of Córdoba province, > 650 km south of the southern limit of the previously known distribution. The discovery of the Chacoan peccary in central Argentina could serve as a justification for the protection of Chacoan forests in this region, where deforestation rates are among the highest worldwide.
Evidentiary truth claims, imperial registers, and the Ottoman archive: contending legal views of archival and record-keeping practices in Ottoman Greater Syria (seventeenth–nineteenth centuries)
Authors: Burak Guy
Published: March 2016

The article reconstructs a debate between Hanafi jurists who operated throughout Ottoman Greater Syria (and beyond) from the seventeenth to the early nineteenth centuries concerning the evidentiary status of the Ottoman imperial registers (defters). At the centre of the jurists’ debate is the permissibility of using imperial registers as independent, uncorroborated evidence. It was a debate about who had the right to regulate and determine what constituted an authentic evidential document: while some jurists argued that it was almost exclusively the privilege of the jurists, others were willing to concede this authority, at least in part, to the Ottoman dynasty and its bureaucracy. Furthermore, the article contends that the debate about the evidentiary validity of the defters captures the complex relationship between Ottoman dynastic law and the Hanafi fiqh discourse. Finally, the debate sheds light on the legal “defterization” of other types of documents and texts, such as a chronicle (taʾrīkh) and court records (sijill).
Early vocabulary, parental education, and the frequency of shared reading as predictors of toddler's vocabulary and grammar at age 2;7: a Slovenian longitudinal CDI study
Authors: MARJANOVIČ-UMEK LJUBICA , FEKONJA-PEKLAJ URŠKA , SOČAN GREGOR
Published: March 2016

The aim of this longitudinal study, carried out on a sample of Slovenian-speaking toddlers, was to analyze developmental changes and stability in early vocabulary development; to establish relations between toddler's vocabulary and grammar; and to analyze the effects of parental education and the frequency of shared reading on toddlers' vocabulary and grammar. The sample included fifty-one toddlers, aged 1;4 at the time of the first, and 2;7 at the time of the last, assessment. Toddlers' vocabulary and grammar were assessed six times during a 15-month period using the Slovenian adaptation of the CDI. Our findings suggest great individual differences in both size and rate of toddlers' vocabulary development. Toddlers' vocabulary scores remained relatively stable across a 3-month period. Early vocabulary at 1;7 predicted vocabulary, sentence complexity, and mean length of utterance (MLU) at 2;7, while the frequency of shared reading mediated the effect of parental education on toddlers' vocabulary and grammar at 2;7.
Performance Analysis for BDS Phase-smoothed Pseudorange Differential Positioning
Authors: Tang Weiming , Cui Jianhui , Hui Mengtang , Deng Chenlong
Published: March 2016

The positioning accuracy of the BeiDou Navigation Satellite System (BDS) can reach up to 10 m (95% confidence level) in both horizontal and vertical components. In order to improve the positioning performance for metre-level navigation, BDS pseudorange differential positioning has been proposed. We introduce the basic principles of BDS pseudorange differential positioning. Then based on the traditional Hatch filter, a modified Hatch filter for dual-frequency phase-smoothed pseudorange is introduced. The phase-smoothed pseudorange differential positioning, whose observations are smoothed by the modified Hatch filter using BDS B1 and B3 and Global Positioning System (GPS) L1 and L2 carrier-phase observations, are applied to determine the roving station's position. Three strategies are used for results analysis. The results show that the longer the baseline length is, the poorer positioning accuracy gets, and the positioning accuracy decline rate of the BDS B3 signal is higher than that of the BDS B1 signal, especially for long baselines. The percentages of the position deviations less than 3 m in horizontal component and 5 m in vertical component for BDS signals can reach up to 95 %.
Leptospira in breast tissue and milk of urban Norway rats (Rattus norvegicus)
Authors: DE OLIVEIRA D. , FIGUEIRA C. P. , ZHAN L. , PERTILE A. C. , PEDRA G. G. , GUSMÃO I. M. , WUNDER E. A. , RODRIGUES G. , RAMOS E. A. G. , KO A. I. , CHILDS J. E. , REIS M. G. , COSTA F.
Published: March 2016

Leptospirosis is a zoonosis caused by bacteria of the genus Leptospira. The disease is globally distributed and a major public health concern. The Norway rat (Rattus norvegicus) is the main reservoir of the pathogen in urban slums of developing and developed countries. The potential routes of intra-specific leptospire transmission in rats are largely unknown. Herein, we identified pathogenic Leptospira spp. in breast tissue and milk of naturally infected rats. We examined kidney, breast tissue and milk from 24 lactating rats for the presence of leptospires using immunofluorescence, immunohistochemistry, polymerase chain reaction (PCR) and scanning electronic microscopy. All 24 rats had evidence for Leptospira in the kidneys, indicating chronic carriage. The majority of kidney-positive rats had detectable leptospires in milk (18, 75%) and breast tissue (16, 67%), as evidenced by immunofluorescence assay and immunohistochemistry. Four (17%) milk samples and two (8%) breast tissue samples were positive by quantitative real-time PCR. Scanning electron microscopy confirmed the presence of leptospires in breast tissue. No major pathological changes in breast tissue were found. This study, for the first time, identified leptospires in the milk and breast tissue of wild Norway rats, suggesting the possibility of milk-borne transmission of leptospirosis to neonates.
Synchrony in networks of coupled non-smooth dynamical systems: Extending the master stability function
Authors: COOMBES STEPHEN , THUL RÜDIGER
Published: March 2016

The master stability function is a powerful tool for determining synchrony in high-dimensional networks of coupled limit cycle oscillators. In part, this approach relies on the analysis of a low-dimensional variational equation around a periodic orbit. For smooth dynamical systems, this orbit is not generically available in closed form. However, many models in physics, engineering and biology admit to non-smooth piece-wise linear caricatures, for which it is possible to construct periodic orbits without recourse to numerical evolution of trajectories. A classic example is the McKean model of an excitable system that has been extensively studied in the mathematical neuroscience community. Understandably, the master stability function cannot be immediately applied to networks of such non-smooth elements. Here, we show how to extend the master stability function to non-smooth planar piece-wise linear systems, and in the process demonstrate that considerable insight into network dynamics can be obtained. In illustration, we highlight an inverse period-doubling route to synchrony, under variation in coupling strength, in globally linearly coupled networks for which the node dynamics is poised near a homoclinic bifurcation. Moreover, for a star graph, we establish a mechanism for achieving so-called remote synchronisation (where the hub oscillator does not synchronise with the rest of the network), even when all the oscillators are identical. We contrast this with node dynamics close to a non-smooth Andronov–Hopf bifurcation and also a saddle node bifurcation of limit cycles, for which no such bifurcation of synchrony occurs.
A New Source for Schubert’s Hebrew Psalm 92 (D. 953)
Authors: Rees David , Schab Alon
Published: March 2016

In the summer of 1828, Franz Schubert composed his one and only piece in Hebrew: an excerpt of Psalm 92, set for four-part choir and Solo Baritone. The main sources available until now for this composition, a manuscript in the Gesellschaft der Musikfreunde (A-Wgm Sammlung Witteczek-Spaun Bd. 31) and a printed version in Salomon Sulzer’s compendium of Viennese synagogal music, Schir Zion (Song of Zion), date to 1834/35 and 1839/40, respectively. A newly discovered manuscript, dating from 1832, represents an early stage in the compilation of Schir Zion and contains the earliest known source of Schubert’s piece. New variant readings with regard to pitch, ornamentation and text underlay suggest that Schubert’s lost autograph may not be the immediate parent of the best sources known until now. With its title in Hebrew calligraphy, moreover, this manuscript was clearly intended for Jewish use; it thus challenges the authority of Schir Zion with regard to the underlay of the Hebrew text. The manuscript demonstrates a starting point in the adaptation by later editors, including Salomon Sulzer’s son Joseph, of Schubert’s Hebrew composition from the living, essentially oral performance tradition of an expert cantor to the formal written requirements of publication for a far-flung audience.
80-GHz-band low-power sub-harmonic mixer IC with a bottom-LO-configuration in 130-nm SiGe BiCMOS
Authors: Yang Xin , Xu Xiao , Shibata Takayuki , Yoshimasu Toshihiko
Published: March 2016

In this paper, a W-band (80 GHz) sub-harmonic mixer (SHM) IC is designed, fabricated and measured in 130-nm SiGe BiCMOS technology. The presented SHM IC makes use of a common emitter common collector transistor pair structure with a bottom-LO-configuration to decrease the LO power requirement and a tail current source to flatten the conversion gain. On-chip Marchand balun is designed for W-band on-wafer measurements. The SHM IC presented in this paper has exhibited a conversion gain of 3.9 dB at 80 GHz RF signal with an LO power of only −7 dBm at 39.5 GHz. The mixer core consumes only 0.68 mA at a supply voltage of 3.3 V.
An Investigation of Language Environment Analysis Measures for Spanish–English Bilingual Preschoolers From Migrant Low-Socioeconomic-Status Backgrounds
Authors: Wood Carla , Diehm Emily A. , Callender Maya F.
Published: March 2016

Purpose

The current study was designed to (a) describe average hourly Language Environment Analysis (LENA) data for preschool-age Spanish–English bilinguals (SEBs) and typically developing monolingual peers and (b) compare LENA data with mean length of utterance in words (MLUw) and total number of words (TNW) calculated on a selected sample of consecutive excerpts of audio files (CEAFs).

Method

Investigators examined average hourly child vocalizations from daylong LENA samples for 42 SEBs and 39 monolingual English-speaking preschoolers. The relationship between average hourly child vocalizations, conversational turns, and adult words from the daylong samples and MLUw from a 50-utterance CEAF was examined and compared between groups.

Results

MLUw, TNW, average hourly child vocalizations, and conversational turns were lower for young SEBs than monolingual English-speaking peers. Average hourly child vocalizations were not strongly related to MLUw performance for monolingual or SEB participants (r =.29,r= .25, respectively). In a similar manner, average hourly conversational turns were not strongly related to MLUw for either group (r= .22,r= .21, respectively).

Conclusions

Young SEBs from socioeconomically disadvantaged backgrounds showed lower average performance on LENA measures, MLUw, and TNW than monolingual English-speaking peers. MLUw from monolinguals were also lower than typical expectations when derived from CEAFs. LENA technology may be a promising tool for communication sampling with SEBs; however, more research is needed to establish norms for interpreting MLUw and TNW from selected CEAF samples.
Lattice constants of pure methane and carbon dioxide hydrates at low temperatures. Implementing quantum corrections to classical molecular dynamics studies
Authors: Costandy Joseph , Michalis Vasileios K. , Tsimpanogiannis Ioannis N. , Stubos Athanassios K. , Economou Ioannis G.
Published: March 2016

We introduce a simple correction to the calculation of the lattice constants of fully occupied structure sI methane or carbon dioxide pure hydrates that are obtained from classical molecular dynamics simulations using the TIP4PQ/2005 water force field. The obtained corrected lattice constants are subsequently used in order to obtain isobaric thermal expansion coefficients of the pure gas hydrates that exhibit a trend that is significantly closer to the experimental behavior than previously reported classical molecular dynamics studies.
Asymptotic entropic uncertainty relations
Authors: Adamczak Radosław , Latała Rafał , Puchała Zbigniew , Życzkowski Karol
Published: March 2016

We analyze entropic uncertainty relations for two orthogonal measurements on a N-dimensional Hilbert space, performed in two generic bases. It is assumed that the unitary matrix U relating both bases is distributed according to the Haar measure on the unitary group. We provide lower bounds on the average Shannon entropy of probability distributions related to both measurements. The bounds are stronger than those obtained with use of the entropic uncertainty relation by Maassen and Uffink, and they are optimal up to additive constants. We also analyze the case of a large number of measurements and obtain strong entropic uncertainty relations, which hold with high probability with respect to the random choice of bases. The lower bounds we obtain are optimal up to additive constants and allow us to prove a conjecture by Wehner and Winter on the asymptotic behavior of constants in entropic uncertainty relations as the dimension tends to infinity. As a tool we develop estimates on the maximum operator norm of a submatrix of a fixed size of a random unitary matrix distributed according to the Haar measure, which are of independent interest.
Mass separation of deuterium and helium with conventional quadrupole mass spectrometer by using varied ionization energy
Authors: Yu Yaowei , Hu Jiansheng , Wan Zhao , Wu Jinhua , Wang Houyin , Cao Bin
Published: March 2016

Deuterium pressure in deuterium-helium mixture gas is successfully measured by a common quadrupole mass spectrometer (model: RGA200) with a resolution of ∼0.5 atomic mass unit (AMU), by using varied ionization energy together with new developed software and dedicated calibration for RGA200. The new software is developed by using MATLAB with the new functions: electron energy (EE) scanning, deuterium partial pressure measurement, and automatic data saving. RGA200 with new software is calibrated in pure deuterium and pure helium 1.0 × 10−6–5.0 × 10−2 Pa, and the relation between pressure and ion current of AMU4 under EE = 25 eV and EE = 70 eV is obtained. From the calibration result and RGA200 scanning with varied ionization energy in deuterium and helium mixture gas, both deuterium partial pressures (PD2) and helium partial pressure (PHe) could be obtained. The result shows that deuterium partial pressure could be measured if PD2 > 10−6 Pa (limited by ultimate pressure of calibration vessel), and helium pressure could be measured only if PHe/PD2 > 0.45, and the measurement error is evaluated as 15%. This method is successfully employed in EAST 2015 summer campaign to monitor deuterium outgassing/desorption during helium discharge cleaning.
One-baryon spectrum and analytical properties of one-baryon dispersion curves in 3 + 1 dimensional strongly coupled lattice QCD with three flavors
Authors: Faria da Veiga Paulo A. , O’Carroll Michael , Valencia Alvites José C.
Published: March 2016

Considering a 3 + 1 dimensional lattice quantum chromodynamics (QCD) model defined with the improved Wilson action, three flavors, and 4 × 4 Dirac spin matrices, in the strong coupling regime, we reanalyze the question of the existence of the eightfold way baryons and complete our previous work where the existence of isospin octet baryons was rigorously solved. Here, we show the existence of isospin decuplet baryons which are associated with isolated dispersion curves in the subspace of the underlying quantum mechanical Hilbert space with vectors constructed with an odd number of fermion and antifermion basic quark and antiquark fields. Moreover, smoothness properties for these curves are obtained. The present work deals with a case for which the traditional method to solve the implicit equation for the dispersion curves, based on the use of the analytic implicit function theorem, cannot be applied. We do not have only one but two solutions for each one-baryon decuplet sector with fixed spin third component. Instead, we apply the Weierstrass preparation theorem, which also provides a general method for the general degenerate case. This work is completed by analyzing a spectral representation for the two-baryon correlations and providing the leading behaviors of the field strength normalization and the mass of the spectral contributions with more than one-particle. These are needed results for a rigorous analysis of the two-baryon and meson-baryon particle spectra.
Quantum transport modelling of silicon nanobeams using heterogeneous computing scheme
Authors: Harb M. , Michaud-Rioux V. , Zhu Y. , Liu L. , Zhang L. , Guo H.
Published: March 2016

We report the development of a powerful method for quantum transport calculations of nanowire/nanobeam structures with large cross sectional area. Our approach to quantum transport is based on Green's functions and tight-binding potentials. A linear algebraic formulation allows us to harness the massively parallel nature of Graphics Processing Units (GPUs) and our implementation is based on a heterogeneous parallel computing scheme with traditional processors and GPUs working together. Using our software tool, the electronic and quantum transport properties of silicon nanobeams with a realistic cross sectional area of ∼22.7 nm2 and a length of ∼81.5 nm—comprising 105 000 Si atoms and 24 000 passivating H atoms in the scattering region—are investigated. The method also allows us to perform significant averaging over impurity configurations—all possible configurations were considered in the case of single impurities. Finally, the effect of the position and number of vacancy defects on the transport properties was considered. It is found that the configurations with the vacancies lying closer to the local density of states (LDOS) maxima have lower transmission functions than the configurations with the vacancies located at LDOS minima or far away from LDOS maxima, suggesting both a qualitative method to tune or estimate optimal impurity configurations as well as a physical picture that accounts for device variability. Finally, we provide performance benchmarks for structures as large as ∼42.5 nm2 cross section and ∼81.5 nm length.
Mode-coupling theoretical study on the roles of heterogeneous structure in rheology of ionic liquids
Authors: Yamaguchi Tsuyoshi
Published: March 2016

Theoretical calculations of the rheological properties of coarse-grained model ionic liquids were performed using mode-coupling theory. The nonpolar part of the cation was systematically increased in order to clarify the effects of the heterogeneous structure on shear viscosity. The shear viscosity showed a minimum as the function of the size of the nonpolar part, as had been reported in literatures. The minimum was ascribed to the interplay between the increase in the shear relaxation time and the decrease in the high-frequency shear modulus with increasing the size of the nonpolar part of the cation. The ionic liquids with symmetric charge distribution of cations were less viscous than those with asymmetric cations, which is also in harmony with experiments. The theoretical analysis demonstrated that there are two mechanisms for the higher viscosity of the asymmetric model. The first one is the direct coupling between the domain dynamics and the shear stress. The second one is that the microscopic dynamics within the polar domain is retarded due to the nonlinear coupling with the heterogeneous structure.
The iterated structure of the all-order result for the two-loop sunrise integral
Authors: Adams Luise , Bogner Christian , Weinzierl Stefan
Published: March 2016

We present a method to compute the Laurent expansion of the two-loop sunrise integral with equal non-zero masses to arbitrary order in the dimensional regularisation ε. This is done by introducing a class of functions (generalisations of multiple polylogarithms to include the elliptic case) and by showing that all integrations can be carried out within this class of functions.
Exploring the relationship between vibrational mode locality and coupling using constrained optimization
Authors: Molina Andrew , Smereka Peter , Zimmerman Paul M.
Published: March 2016

The use of alternate coordinate systems as a means to improve the efficiency and accuracy of anharmonic vibrational structure analysis has seen renewed interest in recent years. While normal modes (which diagonalize the mass-weighted Hessian matrix) are a typical choice, the delocalized nature of this basis makes it less optimal when anharmonicity is in play. When a set of modes is not designed to treat anharmonicity, anharmonic effects will contribute to inter-mode coupling in an uncontrolled fashion. These effects can be mitigated by introducing locality, but this comes at its own cost of potentially large second-order coupling terms. Herein, a method is described which partially localizes vibrations to connect the fully delocalized and fully localized limits. This allows a balance between the treatment of harmonic and anharmonic coupling, which minimizes the error that arises from neglected coupling terms. Partially localized modes are investigated for a range of model systems including a tetramer of hydrogen fluoride, water dimer, ethene, diphenylethane, and stilbene. Generally, partial localization reaches ∼75% of maximal locality while introducing less than ∼30% of the harmonic coupling of the fully localized system. Furthermore, partial localization produces mode pairs that are spatially separated and thus weakly coupled to one another. It is likely that this property can be exploited in the creation of model Hamiltonians that omit the coupling parameters of the distant (and therefore uncoupled) pairs.
Visualization of dielectric constant-electric field-temperature phase maps for imprinted relaxor ferroelectric thin films
Authors: Frederick J. C. , Kim T. H. , Maeng W. , Brewer A. A. , Podkaminer J. P. , Saenrang W. , Vaithyanathan V. , Li F. , Chen L.-Q. , Schlom D. G. , Trolier-McKinstry S. , Rzchowski M. S. , Eom C. B.
Published: March 2016

The dielectric phase transition behavior of imprinted lead magnesium niobate–lead titanate relaxor ferroelectric thin films was mapped as a function of temperature and dc bias. To compensate for the presence of internal fields, an external electric bias was applied while measuring dielectric responses. The constructed three-dimensional dielectric maps provide insight into the dielectric behaviors of relaxor ferroelectric films as well as the temperature stability of the imprint. The transition temperature and diffuseness of the dielectric response correlate with crystallographic disorder resulting from strain and defects in the films grown on strontium titanate and silicon substrates; the latter was shown to induce a greater degree of disorder in the film as well as a dielectric response lower in magnitude and more diffuse in nature over the same temperature region. Strong and stable imprint was exhibited in both films and can be utilized to enhance the operational stability of piezoelectric devices through domain self-poling.
Achieving thermal rectification in designed liquid-liquid systems
Authors: Murad Sohail , Puri Ishwar K.
Published: March 2016

Thermal rectification is generally implemented using solid structures. We demonstrate how thermal transport can be rectified using designed liquid-liquid structures consisting of thin adjacent immiscible water and hexane layers. For specified hot and cold side temperatures, the heat flux differs when either water or hexane is placed on the hot side, demonstrating thermal rectification between the two cases. The rectification is influenced by the relative thicknesses of the layers. It is the highest when the water-hexane interface temperatures for both cases are identical. Changing the thermal conductivity of hexane, which is the lower thermal conductivity liquid, e.g., by potentially loading it with conducting or insulating nanoparticles, has a larger impact on rectification than altering the water conductivity, which is higher. If interfacial temperature discontinuities can be engineered across macroscale interfaces as is natural for nanoscale systems, these also lead to significant increase in rectification.
Linking density functional and mode coupling models for supercooled liquids
Authors: Premkumar Leishangthem , Bidhoodi Neeta , Das Shankar P.
Published: March 2016

We compare predictions from two familiar models of the metastable supercooled liquid, respectively, constructed with thermodynamic and dynamic approaches. In the so called density functional theory the free energy F[ρ] of the liquid is a functional of the inhomogeneous density ρ(r). The metastable state is identified as a local minimum of F[ρ]. The sharp density profile characterizing ρ(r) is identified as a single particle oscillator, whose frequency is obtained from the parameters of the optimum density function. On the other hand, a dynamic approach to supercooled liquids is taken in the mode coupling theory (MCT) which predict a sharp ergodicity-non-ergodicity transition at a critical density. The single particle dynamics in the non-ergodic state, treated approximately, represents a propagating mode whose characteristic frequency is computed from the corresponding memory function of the MCT. The mass localization parameters in the above two models (treated in their simplest forms) are obtained, respectively, in terms of the corresponding natural frequencies depicted and are shown to have comparable magnitudes.
Wettability and friction of water on a MoS2 nanosheet
Authors: Luan Binquan , Zhou Ruhong
Published: March 2016

The molybdenum disulfide (MoS2) nanosheet is a promising two-dimensional (2D) material and has recently been used in biological sensing. While the electronic structure of 2D MoS2 sheet has been actively studied, the role of its atomic structure and thus the interfacial interactions with bio-fluids are still elusive. Using Molecular dynamics simulations, we developed MoS2 force field parameters to reproduce the experimentally determined water contact angle of the MoS2 nanosheet and then predicted the slip-length of water that has not been measured in experiment yet. Simulation results suggest that the MoS2 nanosheet is a hydrophobic and low-friction surface, despite its seemingly significant charges of surface atoms and relatively strong strength of van der Waals potentials. We expect that the developed force fields for depicting surface atoms of MoS2 will facilitate future research in understanding biomolecule-MoS2 interactions in MoS2-based biosensors.
Secondary recrystallization and magnetostriction in binary Fe81Ga19 thin sheets
Authors: He Zhenghua , Sha Yuhui , Fu Quan , Lei Fan , Zhang Fang , Zuo Liang
Published: March 2016

Strong Goss texture ({110}〈001〉) was successfully developed by secondary recrystallization in Fe81Ga19 sheets without conventional application of inhibitor or surface energy effect as grain-oriented silicon steel. Goss grains cover 90% surface area of annealed sheet, and the magnetostriction coefficient reaches up to 262 ppm. The primary recrystallization microstructure and texture provide the prerequisites for nucleation and abnormal grain growth of secondary Goss grains. The dispersedly distributed Goss grains do not exhibit an evident advantage in grain size and number, and the normal grain growth of matrix grains can be inhibited by low-angle grain boundaries before onset of secondary recrystallization. The existence of low-angle grain boundaries is proposed to be an important factor for the occurrence of secondary recrystallization in binary Fe-Ga sheets based on grain boundary character distribution analysis.
Robust acoustic wave manipulation of bubbly liquids
Authors: Gumerov N. A. , Akhatov I. S. , Ohl C.-D. , Sametov S. P. , Khazimullin M. V. , Gonzalez-Avila S. R.
Published: March 2016

Experiments with water–air bubbly liquids when exposed to acoustic fields of frequency ∼100 kHz and intensity below the cavitation threshold demonstrate that bubbles ∼30 μm in diameter can be “pushed” away from acoustic sources by acoustic radiation independently from the direction of gravity. This manifests formation and propagation of acoustically induced transparency waves (waves of the bubble volume fraction). In fact, this is a collective effect of bubbles, which can be described by a mathematical model of bubble self-organization in acoustic fields that matches well with our experiments.
Gate-controlled switching between persistent and inverse persistent spin helix states
Authors: Yoshizumi K. , Sasaki A. , Kohda M. , Nitta J.
Published: March 2016

We demonstrate gate-controlled switching between persistent spin helix (PSH) state and inverse PSH state, which are detected by quantum interference effect on magneto-conductance. These special symmetric spin states showing weak localization effect give rise to a long spin coherence when the strength of Rashba spin-orbit interaction (SOI) is close to that of Dresselhaus SOI. Furthermore, in the middle of two persistent spin helix states, where the Rashba SOI can be negligible, the bulk Dresselhaus SOI parameter in a modulation doped InGaAs/InAlAs quantum well is determined.
Schottky diode characteristics and 1/f noise of high sensitivity reduced graphene oxide/Si heterojunction photodetector
Authors: Zhu Miao , Li Xinming , Li Xiao , Zang Xiaobei , Zhen Zhen , Xie Dan , Fang Ying , Zhu Hongwei
Published: March 2016

Reduced graphene oxide (RGO)/Si Schottky diode has been reported nowadays to show excellent performances in photodetection and other photoelectrical devices. Different from pure graphene, there are large amounts of function groups and structural defects left on the base plane of RGO, which may influence the interfacial properties of RGO/Si Schottky diode. Herein, the barrier inhomogeneity and junction characteristics were systematically investigated to help to describe the interface of RGO/Si diode. From the perspective of its applications, the influences of gas molecule and noise properties are considered to be important. Thus, the photovoltaic performance of RGO/Si devices in air and vacuum is investigated to analyze their effects. Meanwhile, 1/f noise of RGO/Si diodes is investigated under air/vacuum conditions and varied temperatures. It is found that the devices in vacuum and under higher power incident light show much lower 1/f noise. These results are meaningful to the noise control and performance improvement in the development of Schottky diode based devices.
Temperature-independent zero-birefringence polymer for liquid crystal displays
Authors: Shikanai M. D. , Tagaya A. , Koike Y.
Published: March 2016

A polymer film that shows almost no orientational birefringence even when the polymer main chain is in an oriented state and almost no temperature dependence of orientational birefringence in the temperature range from around −40 to 85 °C was prepared. This temperature range is important because it is where in-car liquid crystal displays (LCDs) are generally used; therefore, it is desirable to have constant orientational birefringence over this range. We suggest a method to compensate for the intrinsic birefringence and temperature coefficient of intrinsic birefringence of individual polymers by copolymerizing monomers of homopolymers that display opposite signs of the two parameters described above. Analysis of four types of polymers, methyl methacrylate (MMA), 2,2,2-trifluoroethyl methacrylate, benzyl methacrylate (BzMA), and phenyl methacrylate (PhMA), reveal that they possess both positive and negative signs of their temperature coefficient of intrinsic birefringence. Using this approach, we prepare P(MMA/PhMA/BzMA) (39:23:38 wt. %), which exhibits almost no intrinsic birefringence and almost no temperature dependence of intrinsic birefringence. The retardation of this polymer film when drawn uniaxially scarcely changed (between 0.3 and 0.8 nm) between 12 and 70 °C, which is small enough not to cause image degradation in LCDs.
Plasmon–phonon coupling in monolayer WS2
Authors: Zhao Weiwei , Wu Qisheng , Hao Qi , Wang Jinlan , Li Mei , Zhang Yan , Bi Kedong , Chen Yunfei , Ni Zhenhua
Published: March 2016

The excitation of plasmon in metallic nanostructures produces intense and strongly localized near fields that enhance light-matter interaction. Here, we report plasmon–phonon coupling in monolayer WS2 deposited with gold and silver nanoparticles. The Raman spectra reveal phonon modes arising from the coupling between plasmon and WS2. The localized surface plasmon resonance mediated excitation activates the Raman process without requiring defect for momentum conservation. Our results also reveal that the momentum induced by localized surface plasmon resonances losses to WS2 and the metal atoms adsorption modulated spin–orbit split are the two essential elements for the observed plasmon–phonon coupling. This work will open up exciting prospects for plasmon–phonon coupling in two dimensional systems.
Internal electrical and strain fields influence on the electrical tunability of epitaxial Ba0.7Sr0.3TiO3 thin films
Authors: Bagdzevicius S. , Mackeviciute R. , Ivanov M. , Fraygola B. , Sandu C. S. , Setter N. , Banys J.
Published: March 2016

Perpetual demand for higher transfer speed and ever increasing miniaturization of radio and microwave telecommunication devices demands new materials with high electrical tunability. We have investigated built in electrical and strain fields' influence on the electrical tunability in Ba0.7Sr0.3TiO3 thin film hetero-system grown by pulsed laser deposition technique. We observed the built in electrical field by local piezo-force microscopy (as deflected hysteresis loops) and macroscopic impedance analysis (as asymmetric tunability curves), with the calculated 88 kV/cm built in field at room temperature. Negative −1.4% misfit strain (due to clamping by the substrate) enhanced ferroelectric phase transition temperature in Ba0.7Sr0.3TiO3 thin film by more than 300 K. Built in fields do not deteriorate functional film properties—dielectric permittivity and tunability are comparable to the best to date values observed in Ba1−xSrxTiO3 thin films.
Low-cyclic fatigue behaviour of an Al–Cu–Mg–Ag alloy under T6 and T840 conditions
Authors: Gazizov M. , Kaibyshev R.
Published: March 2016

The low-cyclic fatigue (LCF) behaviour of an AA2139 alloy belonging to the Al–Cu–Mg–Ag system was investigated under T6 and T840 conditions. The T840 treatment involves cold rolling with a 40% reduction prior to ageing, and this was effective in increasing the tensile strength of the alloy. Under cyclic loading at total strain amplitudes ( εac) of ±0.4 to ±1.0%, the mechanical behaviour is defined as the prevalence of elastic over plastic deformation processes under both the T6/T840 conditions. The initial weak hardening during one to two cycles of loading at εac > 0.55% and an insignificant softening upon following the cyclic loading to fracture was observed for the T6/T840 conditions. The LCF behaviour of the alloy under the T6/T840 conditions is described by the Basquin–Manson–Coffin relationship.

This paper is part of a Themed Issue on Aluminium-based materials: processing, microstructure, properties, and recycling.
Influence of a caffeine mouth rinse on sprint cycling following glycogen depletion
Authors: Kizzi Joseph , Sum Alvin , Houston Fraser E. , Hayes Lawrence D.
Published: March 2016

Attenuated performance during intense exercise with limited endogenous carbohydrate (CHO) is well documented. Therefore, this study examined whether caffeine (CAF) mouth rinsing would augment performance during repeated sprint cycling in participants with reduced endogenous CHO. Eight recreationally active males (aged 23 ± 2 yr, body mass 84 ± 4 kg, stature 178 ± 7 cm) participated in this randomized, single‐blind, repeated‐measures crossover investigation. Following familiarization, participants attended two separate evening glycogen depletion sessions. The following morning, participants completed five, 6 s sprints on a cycle ergometer (separated by 24 s active recovery), with mouth rinsing either (1) a placebo solution or (2) a 2% CAF solution. During a fifth visit, participants completed the sprints without prior glycogen depletion. Repeated‐measures ANOVA identified significant main effect of condition (CAF, placebo, and control [P < .05; effect size (ES) = 0.850–0.897]), sprint (1–5 [P < .005; ES = 0.871–0.986]), and interaction (condition × sprint [P < .05; ES = 0.831–0.846]), for peak and mean power. The control condition exhibited the highest peak power (overall mean 760 ± 77 W) and mean power (overall mean 699 ± 83W) over the five sprints (P < .001 in both instances). CAF peak power (overall mean 643 ± 79 W) was significantly greater than placebo (mean 573 ± 79 W [P < .05; ES = 0.850]). Additionally, CAF mean power (overall mean 589 ± 80 W) was significantly greater than placebo (519 ± 82 W [P < .05; ES = 0.397]). These data indicate that mouth rinsing a caffeinated solution reduces decrements caused by CHO reduction, which may benefit athletes wishing to train in a low‐CHO state.