bluuebunny/crossref_metadata_2025 huggingface dataset:
Photocatalytic H2 production on trititanate nanotubes coupled with CdS and platinum nanoparticles under visible light: revisiting H2 production and material durability
Authors: Park Hyunwoong , Ou Hsin-Hung , Kim Minju , Kang Unseock , Han Dong Suk , Hoffmann Michael R.
Published: November 2016

The photocatalytic production of molecular hydrogen (H2) on ternary composites of Pt, CdS, and sodium trititanate nanotubes (NaxH2−xTi3O7, TNTs) is examined in an aqueous 2-propanol (IPA) solution (typically 5 vol%) at a circum-neutral pH under visible light (λ > 420 nm). The H2 production rates are dependent on the Pt-loading level, and the optimum production rate in the Pt/CdS/TNTs is approximately six times higher than that in Pt/CdS/TiO2. A D2O solution containing 5 vol% IPA leads only to the production of D2 molecules, whereas increasing the IPA amount to 30 vol% leads to the production of DH molecules. This indicates that the Pt/CdS/TNTs composites enable H2 production via true water splitting under our typical experimental conditions. X-ray photoelectron spectroscopy (XPS) analyses of the as-synthesized Pt/CdS/TNTs and those used for 6 and 12 h show that metallic Pt on the CdS/TNTs is less susceptible to oxidation than Pt on CdS/TiO2. In addition, photocorrosion of CdS (i.e., sulfate formation) is significantly inhibited during the photocatalytic H2 production reactions in the Pt/CdS/TNTs because of the efficient charge transfer via the TNTs framework. The Pt/CdS/TNTs samples are thermally more stable than Pt/CdS/TiO2 and CdS/TNTs, effectively inhibiting the formation of CdO during the thermal synthesis. Detailed surface characterizations of the as-synthesized ternary composites are performed using X-ray diffraction, transmission electron microscopy, energy dispersive spectroscopy, and XPS.
Visualization of choline-based phospholipids at the interface of oil/water emulsions with TEPC-15 antibody. Immunofluorescence applied to colloidal systems
Authors: Liuzzi R. , Gallier S. , Ringler S. , Caserta S. , Guido S.
Published: November 2016

Phospholipids, which are amphiphilic biomolecules composed of a polar head group and two nonpolar fatty acid tails, play a central role in cellular and body functions.
Metal-to-insulator transition near room temperature in graphene oxide and graphene oxide + TiO2 thin films
Authors: Wegher G. H. , Viana E. R. , Ribeiro G. M. , Deus J. F.
Published: November 2016

Thin films of graphene oxide and a composite of graphene oxide with titanium oxide were prepared via an alternative chemical route based on Hummer's method. Metal-to-Insulator Transition (MIT) were observed for GO (at 280 K) and for GO + TiO2 (at 260 K).
Thermodynamic and conformational changes of protein toward interaction with nanoparticles: a spectroscopic overview
Authors: Zeinabad Hojjat Alizadeh , Kachooei Ehsan , Saboury Ali Akbar , Kostova Irena , Attar Farnoosh , Vaezzadeh Mahsa , Falahati Mojtaba
Published: November 2016

Nanoparticles (NPs) in different forms have been widely used in medicine and pharmaceutics for diagnosis and drug delivery.
Removal of sulfur compounds from LPG by heteropoly acid-modified Al–MCM-41 mesoporous molecular sieves
Authors: Zhang Qian , Shi Li , Meng Xuan
Published: November 2016

Al–MCM-41(30) was synthesized using Al2(SO4)3 as the aluminum source, Na2SiO3 as the silicon precursor and cetyltrimethylammonium bromide (CTAB) surfactant as the template.
Enhancing the quality of bio-oil from catalytic pyrolysis of kraft black liquor lignin
Authors: Chen Jiao , Liu Chao , Wu Shubin , Liang Jiajin , Lei Ming
Published: November 2016

Black liquor is an attractive option for the generation of biofuel and fine chemical intermediates.
The maiden report of a fluorescent-colorimetric sensor for expeditious detection of bifluoride ion in aqueous media
Authors: Ghorai Anupam , Thakur Santosh S. , Patra Goutam K.
Published: November 2016

A fluorescent-colorimetric chemosensor L, for rapid detection of bifluoride ion has been developed based on a simple bis-Schiff base.
Novel glyconanoconjugates: synthesis, characterization and bioapplications
Authors: Telli Fatma Cetin , Demir Bilal , Barlas Fırat Barıs , Guler Emine , Timur Suna , Salman Yesim
Published: November 2016

The impressive properties of nanoparticles (NPs) have caused them to gain considerable attention for biological applications such as cancer therapy.
Insights into choline chloride–phenylacetic acid deep eutectic solvent for CO2 absorption
Authors: Altamash Tausif , Atilhan Mert , Aliyan Amal , Ullah Ruh , García Gregorio , Aparicio Santiago
Published: November 2016

Choline chloride plus phenylacetic acid deep eutectic solvent in neat liquid state and upon CO2 absorption is analyzed using a theoretical approach combining quantum chemistry using Density Functional Theory and classic molecular dynamics methods.
MgO whiskers reinforced poly(vinylidene fluoride) scaffolds
Authors: Huang Wei , Wu Ping , Feng Pei , Yang Youwen , Guo Wang , Lai Duan , Zhou Zhiyang , Liu Xiaohe , Shuai Cijun
Published: November 2016

In this study, poly(vinylidene fluoride) (PVDF) scaffolds with MgO whiskers were prepared through selective laser sintering, and their properties were studied in terms of mechanical and biological properties.
Portion mismatch in duplex oligonucleotides as inhibitors of bacterial topoisomerase I
Authors: Yang Zhaoqi , Jiang Tuoyu , Zhong Hanshi , Liu Yuanfa
Published: November 2016

The activities of bacterial topoisomerase I can be modulated by non-perfect match duplex oligonucleotides.
Nitrogen induced phosphorene formation on the boron phosphide (111) surface: a density functional theory study
Authors: Guerrero-Sánchez J. , Lopez-Fuentes M. , Sánchez-Ochoa F. , Takeuchi Noboru , H. Cocoletzi Gregorio
Published: November 2016

Nitrogen induced phosphorene formation on top of the BP (111) surface is investigated using periodic density functional theory (DFT) calculations.
Encapsulation of rhodamine-6G within p-sulfonatocalix[n]arenes: NMR, photophysical behaviour and biological activities
Authors: Patil Sanhita V. , Athare Sulakshana V. , Jagtap Ashok , Kodam Kisan M. , Gejji Shridhar P. , Malkhede Dipalee D.
Published: November 2016

Partial inclusion of rhodamine-6G within sulfonatocalixarene macrocycles engenders fluorescence quenching and demonstrates remarkable antiproliferative activities.
Corundum type indium oxide nanostructures: ambient pressure synthesis from InOOH, and optical and photocatalytic properties
Authors: Singhal Anshu , Jain D. , Pai M. R. , Agouram S. , Errandonea D. , Tyagi A. K.
Published: November 2016

A simple, cost effective, surfactant free and scalable synthesis of rh-In2O3nanostructures showing intense blue light emission has been developed under ambient pressure.
Fast adsorption of methyl blue on zeolitic imidazolate framework-8 and its adsorption mechanism
Authors: Feng Yi , Li Yu , Xu Minying , Liu Shichang , Yao Jianfeng
Published: November 2016

Zeolitic imidazolate framework-8 (ZIF-8) is synthesized and the adsorption behavior and mechanism of methyl blue (MB) are studied in detail.
Insight into the synthesis of isosorbide diester plasticizer using immobilized lipases
Authors: Cui Caixia , Zhang Zhe , Zeng Qingqian , Chen Biqiang
Published: November 2016

The biosafety isosorbide dicaprylate ester plasticizer was sequential synthesized with different immobilized lipases.
The toxic effects of deltamethrin on Danio rerio: the correlation among behavior response, physiological damage and AChE
Authors: Zhang Xu , Yang Huanhuan , Ren Zongming , Cui Zhaojie
Published: November 2016

In this work we comprehensively evaluated the effects of deltamethrin, a pyrethroid pesticide, on the behavior, physiology and acetylcholinesterase (AChE) activity of fish.
Monolayer MoS2 film supported metal electrocatalysts: a DFT study
Authors: Chen Sian , Wang Haining , Lu Shanfu , Xiang Yan
Published: November 2016

The structures and electrocatalytic performance of metal clusters (Pd, Pt and Ag) on monolayer MoS2 were investigated using DFT method.
Theoretical study of the optical and charge transport properties of π-conjugated three-coordinate organoboron compounds as organic light-emitting diodes materials
Authors: Jin R. F.
Published: November 2016

A series of π-conjugated three-coordinate organoboron compounds have been designed as luminescent and charge transport materials for OLEDs application.
‘Naked-eye’ colorimetric/fluorimetric detection of F− ions by biologically active 3-((1H-indol-3-yl)methyl)-4-hydroxy-2H-chromen-2-one derivatives
Authors: Shaily Shaily , Kumar Ajay , Kumar Sumit , Ahmed Naseem
Published: November 2016

An improved synthetic protocol has been developed to construct highly functionalized heterologous alkyl and benzyl indolyl-coumarin derivatives using a rapid, catalyst-free and solvent-free one-pot three-component reaction of indole, aldehyde and 4-hydroxy-coumarin.
Synthesis, characterization and adsorption capacity of magnetic carbon composites activated by CO2: implication for the catalytic mechanisms of iron salts
Authors: Qian Feng , Zhu Xiangdong , Liu Yuchen , Hao Shilai , Ren Zhiyong Jason , Gao Bin , Zong Ruilong , Zhang Shicheng , Chen Jianmin
Published: November 2016

The production of novel magnetic carbon composites for maximum removal performance of organic pollutants from the environment.
Enhanced sulfide chemisorption using boron and oxygen dually doped multi-walled carbon nanotubes for advanced lithium–sulfur batteries
Authors: Jin Chengbin , Zhang Wenkui , Zhuang Zhenzhan , Wang Jianguo , Huang Hui , Gan Yongping , Xia Yang , Liang Chu , Zhang Jun , Tao Xinyong
Published: November 2016

Boron and oxygen dual doping can improve the conductivity of MWNTs and enhance the chemisorption of sulfides in Li–S batteries.
Long-term stability of organic–inorganic hybrid perovskite solar cells with high efficiency under high humidity conditions
Authors: Sun Yue , Wu Yihui , Fang Xiang , Xu Linjun , Ma Zhijie , Lu Yongting , Zhang Wen-Hua , Yu Qiang , Yuan Ningyi , Ding Jiangning
Published: November 2016

Perovskite solar cells with superior tolerance to humidity (85–95% RH) and long-term stability have been achieved via adding a certain amount of a cost-effective and available water soluble additive, polyvinyl alcohol (PVA).
Enhanced light harvesting in flexible polymer solar cells: synergistic simulation of a plasmonic meta-mirror and a transparent silver mesowire electrode
Authors: Ou Qing-Dong , Xie Hao-Jun , Chen Jing-De , Zhou Lei , Li Yan-Qing , Tang Jian-Xin
Published: November 2016

Highly efficient flexible polymer solar cells with enhanced light harvesting are achieved by combining a transparent silver mesowire grid electrode and a plasmonic meta-mirror back reflector.
FeP embedded in N, P dual-doped porous carbon nanosheets: an efficient and durable bifunctional catalyst for oxygen reduction and evolution reactions
Authors: Zhang Ruizhong , Zhang Chunmei , Chen Wei
Published: November 2016

A bifunctional catalyst of FeP embedded in N, P dual-doped carbon nanosheets exhibits outstanding catalytic performances toward both the ORR and OER.
Self-assembly of all-conjugated block copolymer nanoparticles with tailoring size and fluorescence for live cell imaging
Authors: Jiao Hui-Feng , Wang Xiaofeng , Yao Kai , Chen Peng , Jia Zhenrong , Peng Zhiping , Li Fan
Published: November 2016

Here, we describe aqueous nanoassemblies of rod–rod diblock polythiophene into core–shell nanospheres. Benefitting from their good photostability and low cytotoxicity, the nanoparticles meet the crucial requirements for cellular imaging and other biological applications.
Synthesis, molecular and photovoltaic/transistor properties of heptacyclic ladder-type di(thienobenzo)fluorene-based copolymers
Authors: Lee Chia-Hao , Lai Yu-Ying , Cao Fong-Yi , Hsu Jhih-Yang , Lin Zong-Liang , Jeng U-Ser , Su Chun-Jen , Cheng Yen-Ju
Published: November 2016

Synthesis of a new heptacyclic ladder-type di(thienobenzo)fluorene arene and its copolymers with photovoltaic/transistor properties is presented.
Self‐tuning full‐order WMF Kalman filter for multisensor descriptor systems
Authors: Dou Yinfeng , Sun Shuli , Ran Chenjian
Published: November 2016

For the multisensor descriptor systems with correlated measurement noises and unknown noise variances, a self‐tuning full‐order weighted measurement fusion (WMF) Kalman filter is presented. First, based on the controlled autoregressive moving average innovation model of the multisensor descriptor systems, the consistent estimates of the unknown noise variances are obtained applying correlation function method. A compressed measurement equation for the multisensor descriptor systems is obtained by the WMF method, and an optimal full‐order WMF descriptor Kalman filter is given. Based on the optimal full‐order WMF Kalman filter and the estimates of noise variances, a self‐tuning full‐order WMF Kalman filter with the self‐tuning descriptor Riccati equation is presented. By the dynamic variance error system analysis method, it is proven that the solution of the self‐tuning descriptor Riccati equation converges to the solution of the optimal descriptor Riccati equation. Then, the convergence of the presented self‐tuning full‐order WMF Kalman filter is proven. A simulation example of a six‐sensor descriptor system verifies the effectiveness and convergence of the presented algorithms.
Sequential fusion filtering for multi‐rate multi‐sensor time‐varying systems – a Krein‐space approach
Authors: Feng Xiaoliang , Wen Chenglin , Park Ju H.
Published: November 2016

In this study, the problem of sequential fusion filtering is investigated for multi‐rate multi‐sensor time‐varying systems based on a Krein‐space approach. The considered system is with different evolving rate of the state and the estimation as well as measurement sampling rates. A novel performance index is proposed to sequentially characterise the effect of system noise on the fusion estimate errors. Based on the augmented measurement including all received measurements, a sequential fusion filter is derived by solving a positive minimisation problem of an indefinite quadratic form, such that the new performance index is ensured. Furthermore, a recursive projection method is proposed in the Krein space to reduce the computation burden. Then, a recursive sequential fusion filter is given to ensure that the minimum value is positive. Finally, two simulation examples are given to illustrate the advantages of the proposed methods.
Fractional extended Kalman filtering for non‐linear fractional system with Lévy noises
Authors: Sun Yonghui , Wu Xiaopeng , Cao Jinde , Wei Zhinong , Sun Guoqiang
Published: November 2016

In this study, the extended Kalman filtering problem is discussed for fractional‐order non‐linear discrete system with Lévy noises. Two different approximating methods are proposed, respectively, one is to obtain the approximated system measurement noise firstly, then calculates the iterative state vector and measurement vector, the other one is to approximate state vector and measurement vector directly, which seems to be more efficient. Based on the proposed approximating methods, two novel fractional extended Kalman filter designing strategies are developed for fractional‐order non‐linear discrete system with Lévy noises, some detailed comparisons and discussions are presented to show that the obtained results are more general. Finally, some simulation results with necessary comparisons and discussions are given to illustrate the validity and correctness of the proposed methods.
State estimation via Markov switching‐channel network and application to suspension systems
Authors: Yin Xunyuan , Zhang Lixian , Ning Zepeng , Tian Dapeng , Alsaedi Ahmed , Ahmad Bashir
Published: November 2016

The problem of estimation for a class of networked non‐linear systems is investigated. A practical scenario with multiple switching communication channels coexisting in the network is considered. System signals are exchanged over the multiple communication channels and each channel is subject to the two main transmission imperfections, network‐induced time‐varying delays and packet dropouts. The channel switching is assumed to be governed by a continuous‐time Markov process, and a Markov jump non‐linear system model is exploited to represent the overall networked system. Linear estimators are designed such that the underlying estimation error system is stochastically stable and the disturbance rejection attenuation satisfies an performance bound. As a case study, a state estimation problem for an intelligent active suspension system is addressed to verify the theoretical findings.
Wege invasiv beatmeter Patienten in die häusliche Beatmungspflege: Die Perspektive ambulanter Intensivpflegedienste
Authors: Lehmann Y. , Ewers M.
Published: November 2016

Einleitung: In den letzten Jahren sind hierzulande mit hoher Dynamik viele Angebote der häuslichen Intensivpflege für dauerhaft invasiv beatmete Patienten entstanden. Darüber, auf welchen Wegen diese Patienten in diese Spezialversorgung gelangen, ist wenig bekannt.

Methodik: Durchgeführt wurde eine qualitativ-explorative Sondierungsstudie, in deren Rahmen leitfadengestützte Interviews mit 15 leitenden oder für die Pflegeüberleitung zuständigen Mitarbeitern geführt und inhaltsanalytisch ausgewertet wurden.

Ergebnisse: Die Wege, auf denen invasiv beatmete Patienten in die häusliche Intensivversorgung gelangen, erscheinen hochgradig zufallsabhängig, risikoreich und unsicher. Koordinations- und Kooperationsprobleme sowie intransparente und ungeklärte Interessenlagen der beteiligten Akteure und Instanzen sind erkennbar. Rehabilitationspotenziale scheinen nicht systematisch ausgeschöpft und Forderungen nach informierten und partizipativen Entscheidungsprozessen vernachlässigt zu werden.

Schlussfolgerungen: Der erkennbare Forschungs- und Entwicklungsbedarf zur sektoren-, organisations- und professionsübergreifenden Versorgung schwer chronisch kranker und technikabhängiger Patienten wird künftig mehr Aufmerksamkeit erfahren müssen.
Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regression
Authors: Alborzpour Jonathan P. , Tew David P. , Habershon Scott
Published: November 2016

Solution of the time-dependent Schrödinger equation using a linear combination of basis functions, such as Gaussian wavepackets (GWPs), requires costly evaluation of integrals over the entire potential energy surface (PES) of the system. The standard approach, motivated by computational tractability for direct dynamics, is to approximate the PES with a second order Taylor expansion, for example centred at each GWP. In this article, we propose an alternative method for approximating PES matrix elements based on PES interpolation using Gaussian process regression (GPR). Our GPR scheme requires only single-point evaluations of the PES at a limited number of configurations in each time-step; the necessity of performing often-expensive evaluations of the Hessian matrix is completely avoided. In applications to 2-, 5-, and 10-dimensional benchmark models describing a tunnelling coordinate coupled non-linearly to a set of harmonic oscillators, we find that our GPR method results in PES matrix elements for which the average error is, in the best case, two orders-of-magnitude smaller and, in the worst case, directly comparable to that determined by any other Taylor expansion method, without requiring additional PES evaluations or Hessian matrices. Given the computational simplicity of GPR, as well as the opportunities for further refinement of the procedure highlighted herein, we argue that our GPR methodology should replace methods for evaluating PES matrix elements using Taylor expansions in quantum dynamics simulations.
The influence of coronene super-hydrogenation on the coronene-graphite interaction
Authors: Skov Anders W. , Andersen Mie , Thrower John D. , Jørgensen Bjarke , Hammer Bjørk , Hornekær Liv
Published: November 2016

The changes in the strength of the interaction between the polycyclic aromatic hydrocarbon, coronene, and graphite as a function of the degree of super-hydrogenation of the coronene molecule are investigated using temperature programmed desorption. A decrease in binding energy is observed for increasing degrees of super-hydrogenation, from 1.78 eV with no additional hydrogenation to 1.43 eV for the fully super-hydrogenated molecule. Density functional theory calculations using the optB88-vdW functional suggest that the decrease in binding energy is mostly due to an increased buckling of the molecule rather than the associated decrease in the number of π-electrons.
Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations
Authors: Salvalaglio Matteo , Tiwary Pratyush , Maggioni Giovanni Maria , Mazzotti Marco , Parrinello Michele
Published: November 2016

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.
Vibrationally resolved lifetimes of the 21Σu+ state of Na2
Authors: Anunciado Roy B. , Ashman Seth , Hüwel Lutz
Published: November 2016

Lifetimes of partially resolved ro-vibrational levels of the Na2 21Σu+ double well state have been measured for the first time. Ground state sodium dimer molecules in a molecular beam are resonantly excited by the doubled output of a 10 ns pulsed dye laser in the range 333–357 nm. After being allowed to decay for a predetermined time interval, the surviving excited molecules are ionized by 532 nm photons from a delayed Nd:YAG laser and detected in a linear time-of-flight mass spectrometer. By appropriate tuning of the excitation laser and systematic variation of the probe laser delay, lifetimes are obtained for vibrational levels in the range from 22 to 57. At zero rotation, the three lowest vibrational quantum numbers that we have explored (22, 25, and 28) correspond to wavefunctions whose probability densities are appreciable only in the inner well. Levels with larger quantum numbers are located above the barrier, which, for the rotation-free case, lies between quantum numbers 33 and 34. Because of the congested nature of the excitation spectrum and the experimental resolution of about 0.2 cm−1 available to us, our experimental results are only partially quantum state resolved. Nevertheless, we can discern a decrease in lifetime from about 50 to 40 ns for the inner well levels and a slight increase in lifetime with increasing quantum number for levels above the potential barrier. We have also performed lifetime calculations based on the LEVEL and BCONT programs made available by Le Roy, the latter of which was modified by McGeehan. When limited to bound-bound transitions, theoretical lifetimes for levels above the barrier are systematically larger than experimental values by a factor of almost two. With the addition of bound-free transitions, agreement between experiment and theory is, for the most part, within the experimental uncertainties.
On the separation of multicomponent mixtures in a cylindrical thermogravitational column
Authors: Kozlova Sofia V. , Ryzhkov Ilya I.
Published: November 2016

This work studies the stationary separation of a multicomponent mixture in a thermogravitational column (TGC). The existing theory for a flat-plate column is extended to the case of a cylindrical column. The equations of motion and heat/mass transfer are written in cylindrical coordinates to take into account the impact of the cylinders curvature and the ratio of their radii on the separation process. To characterize the impact of each component on convective motion induced by thermal diffusion, the dimensionless separation ratios are used. A multicomponent system as a whole is described by the net separation ratio. The approximation neglecting vertical diffusion in the column is employed and conditions for its validity are analyzed. The profiles of velocity, temperature, composition, and density in the column with a multicomponent mixture are found and their dependence on the separation ratios and the ratio of cylinders radii is analyzed. The vertical separation is described by the solutal Rayleigh numbers, which are proportional to the vertical concentration gradients. It is shown that the key relation of TGC theory, which relates the net solutal Rayleigh number to the net separation ratio, essentially depends on the ratio of cylinders radii. The working formulas for the thermal diffusion coefficients are derived and the importance of forgotten effect is discussed. It is found that the vertical separation in the column increases with decreasing the ratio of inner and outer cylinders radii. A detailed comparison of results with the case of a flat-plate column is performed. Example of a ternary hydrocarbon mixture is analyzed on the basis of obtained solution and numerical simulation.
Focus: Nucleation kinetics of shear bands in metallic glass
Authors: Wang J. Q. , Perepezko J. H.
Published: November 2016

The development of shear bands is recognized as the primary mechanism in controlling the plastic deformability of metallic glasses. However, the kinetics of the nucleation of shear bands has received limited attention. The nucleation of shear bands in metallic glasses (MG) can be investigated using a nanoindentation method to monitor the development of the first pop-in event that is a signature of shear band nucleation. The analysis of a statistically significant number of first pop-in events demonstrates the stochastic behavior that is characteristic of nucleation and reveals a multimodal behavior associated with local spatial heterogeneities. The shear band nucleation rate of the two nucleation modes and the associated activation energy, activation volume, and site density were determined by loading rate experiments. The nucleation activation energy is very close to the value that is characteristic of the β relaxation in metallic glass. The identification of the rate controlling kinetics for shear band nucleation offers guidance for promoting plastic flow in metallic glass.
Experimental testing of ab initio potential energy surfaces: Stereodynamics of NO(A2Σ+) + Ne inelastic scattering at multiple collision energies
Authors: Luxford Thomas F. M. , Sharples Thomas R. , McKendrick Kenneth G. , Costen Matthew L.
Published: November 2016

We present a crossed molecular beam velocity-map ion imaging study of state-to-state rotational energy transfer of NO(A2Σ+, v = 0, N = 0, j = 0.5) in collisions with Ne atoms. From these measurements, we report differential cross sections and angle-resolved rotational angular momentum alignment moments for product states N′ = 3 and 5-10 for collisions at an average energy of 523 cm−1, and N′ = 3 and 5-14 for collisions at an average energy of 1309 cm−1, respectively. The experimental results are compared to the results of close-coupled quantum scattering calculations on two literature ab initio potential energy surfaces (PESs) [Pajón-Suárez et al., Chem. Phys. Lett. 429, 389 (2006) and Cybulski and Fernández, J. Phys. Chem. A 116, 7319 (2012)]. The differential cross sections from both experiment and theory show clear rotational rainbow structures at both collision energies, and comparison of the angles observed for the rainbow peaks leads to the conclusion that Cybulski and Fernández PES better represents the NO(A2Σ+)-Ne interaction at the collision energies used here. Sharp, forward scattered (<10°), peaks are observed in the experimental differential cross sections for a wide range of N′ at both collision energies, which are not reproduced by theory on either PES. We identify these as L-type rainbows, characteristic of attractive interactions, and consistent with a shallow well in the collinear Ne–N–O geometry, similar to that calculated for the NO(A2Σ+)-Ar surface [Kłos et al., J. Chem. Phys. 129, 244303 (2008)], but absent from both of the NO(A2Σ+)-Ne surfaces tested here. The angle-resolved alignment moments calculated by quantum scattering theory are generally in good agreement with the experimental results, but both experiment and quantum scattering theories are dramatically different to the predictions of a classical rigid-shell, kinematic-apse conservation model. Strong oscillations are resolved in the experimental alignment moments as a function of scattering angle, confirming and extending the preliminary report of this behavior [Steill et al., J. Phys. Chem. A 117, 8163 (2013)]. These oscillations are correlated with structure in the differential cross section, suggesting an interference effect is responsible for their appearance.
Sub-megahertz linewidth single photon source
Authors: Rambach Markus , Nikolova Aleksandrina , Weinhold Till J. , White Andrew G.
Published: November 2016

We report 100% duty cycle generation of sub-MHz single photon pairs at the rubidium D1 line using cavity-enhanced spontaneous parametric downconversion. The temporal intensity cross correlation function exhibits a bandwidth of 666±16 kHz for the single photons, an order of magnitude below the natural linewidth of the target transition. A half-wave plate inside our cavity helps to achieve triple resonance between pump, signal, and idler photon, reducing the bandwidth and simplifying the locking scheme. Additionally, stabilisation of the cavity to the pump frequency enables the 100% duty cycle. The quantum nature of the source is confirmed by the idler-triggered second-order autocorrelation function at τ=0 to be gs,s(2)(0)= 0.016±0.002 for a heralding rate of 5 kHz. The generated photons are well-suited for storage in quantum memory schemes with sub-natural linewidths, such as gradient echo memories.
Quantum state resolved molecular beam reflectivity measurements: CH4 dissociation on Pt(111)
Authors: Chadwick Helen , Gutiérrez-González Ana , Beck Rainer D.
Published: November 2016

The King and Wells molecular beam reflectivity method has been used for a quantum state resolved study of the dissociative chemisorption of CH4 on Pt(111) at several surface temperatures. Initial sticking coefficients S0 were measured for incident CH4 prepared both with a single quantum of ν3 antisymmetric stretch vibration by infrared laser pumping and without laser excitation. Vibrational excitation of the ν3 mode is observed to be less efficient than incident translational energy in promoting the dissociation reaction with a vibrational efficacy ην3 = 0.65. The initial state resolved sticking coefficient S0ν3 was found to be independent of the surface temperature over the 50 kJ/mol to 120 kJ/mol translational energy range studied here. However, the surface temperature dependence of the King and Wells data reveals the migration of adsorbed carbon formed by CH4 dissociation on the Pt(111) surface leading to the growth of carbon particles.
Giant piezoelectric response in piezoelectric/dielectric superlattices due to flexoelectric effect
Authors: Liu Chang , Wu Huaping , Wang Jie
Published: November 2016

Flexoelectricity describes the linear response of electrical polarization to a strain gradient, which can be used to enhance the piezoelectric effect of piezoelectric material or realize the piezoelectric effect in nonpiezoelectric materials. Here, we demonstrate from thermodynamics theory that a giant piezoelectric effect exists in piezoelectric/dielectric superlattices due to flexoelectric effect. The apparent piezoelectric coefficient is calculated from the closed-form of analytical expression of the polarization distribution in the piezoelectric/dielectric superlattice subjected to a normal stress, in which the flexoelectric effect is included. It is found that there exists a strong nonlinear coupling between the flexoelectric and piezoelectric effects, which significantly enhances the apparent piezoelectric coefficient in the piezoelectric/dielectric superlattice. For a specific thickness ratio of the piezoelectric and dielectric layers, the enhanced apparent piezoelectric coefficient in the superlattice is ten times larger than that of its pure piezoelectric counterpart. The present work suggests an effective way to obtain giant apparent piezoelectric effect in piezoelectric/dielectric superlattices through flexoelectric effect.
Strain measurement in ferromagnetic crystals using dark-field electron holography
Authors: Murakami Yasukazu , Niitsu Kodai , Kaneko Syuhei , Tanigaki Toshiaki , Sasaki Taisuke , Akase Zentaro , Shindo Daisuke , Ohkubo Tadakatsu , Hono Kazuhiro
Published: November 2016

This study proposes a method to separate the geometric phase shift due to lattice strain from the undesired phase information, resulting from magnetic fields that are superposed in the dark-field electron holography (DFEH) observations. Choosing a distinct wave vector for the Bragg reflection reversed the sense of the geometric phase shift, while the sense of the magnetic information remained unchanged. In the case of an Nd-Fe-B permanent magnet, once the unwanted signal was removed by data processing, the residual phase image revealed a strain map. Even though the applications of DFEH have thus far been limited to non-magnetic systems, the method proposed in this work is also applicable to strain measurements in various ferromagnetic systems.
Enhanced random lasing from distributed Bragg reflector assisted Au-ZnO nanowire Schottky diode
Authors: Bashar Sunayna B. , Suja Mohammad , Shi Wenhao , Liu Jianlin
Published: November 2016

An electrically pumped ultraviolet random laser based on an Au-ZnO nanowire Schottky junction on top of a SiO2/SiNx distributed Bragg reflector (DBR) has been fabricated. Electrical characterization shows typical Schottky diode current-voltage characteristics. Evident random lasing behavior is observed from electroluminescence measurement at room temperature. In comparison with a reference device having similar nanowire morphology but no DBR, this laser demonstrates almost 1.8 times reduction in threshold current and 4 times enhancement in output power. The performance enhancement originates from the incorporation of the DBR structure, which provides high reflectivity in the designed wavelength range.
Theoretical study of microwave-assisted magnetization switching in exchange coupled nano magnets
Authors: Yamaji T. , Imamura H.
Published: November 2016

Microwave-assisted magnetization switching (MAS) in an exchange-coupled-composite (ECC) nano-magnet was analyzed based on the macrospin-model. The ECC nano-magnet consists of the perpendicularly magnetized soft and hard magnetic layers which are ferromagnetically coupled with each other through the interlayer exchange coupling, χ. With increasing χ a reentrant transition from the MAS-non-effective state to the MAS-effective state appears. There exists a region of χ where the switching field is reduced by application of the microwave field. The width of this MAS-effective region of χ decreases with an increase of the frequency of the microwave field and vanishes at a certain frequency.
Ionic liquid gating of ultra-thin YBa2Cu3O7−x films
Authors: Fête A. , Rossi L. , Augieri A. , Senatore C.
Published: November 2016

In this paper, we present a detailed investigation of the self-field transport properties of an ionic liquid gated ultra-thin YBa2Cu3O7−x (YBCO) film. From the high temperature dynamic of the resistivity (>220 K), different scenarios pertaining to the interaction between the liquid and the thin film are proposed. From the low temperature evolution of Jc and Tc, a comparison between the behavior of our system and the standard properties of YBCO is drawn.
Three-dimensional current collapse imaging of AlGaN/GaN high electron mobility transistors by electric field-induced optical second-harmonic generation
Authors: Katsuno Takashi , Manaka Takaaki , Ishikawa Tsuyoshi , Soejima Narumasa , Uesugi Tsutomu , Iwamoto Mitsumasa
Published: November 2016

Three-dimensional (3D) current collapse imaging of Schottky gate AlGaN/GaN high electron mobility transistor devices was achieved by a combination of two-dimensional (2D) and depth directional electric field-induced optical second-harmonic generation (EFISHG) measurements. EFISHG can detect the electric field produced by trapped carriers, which causes the current collapse. In the 2D measurement, the strong second-harmonic (SH) signals appeared within 1 μm from the gate edge on the drain side at 0.8 μs after the transition from the off- to no bias- state in both unpassivated and passivated samples. In the depth measurement, the SH signals were generated mainly from the AlGaN surface region of the unpassivated sample due to the presence of high-density trap sites in the AlGaN layer, and SH signals from bulk GaN region were also detected at 50 μs after the transition from the off- to no bias- state in the passivated sample. The origin of the traps is presumably the nitrogen vacancies in the GaN buffer layer.
Inward diffusion and acceleration of particles driven by turbulent fluctuations in magnetosphere
Authors: Ushida Y. , Kawazura Y. , Sato N. , Yoshida Z.
Published: November 2016

Charged particles in a magnetosphere are spontaneously attracted to a planet while increasing their kinetic energy via the inward diffusion process. A constraint on particles' micro-scale adiabatic invariants restricts the class of motions available to the system, giving rise to a proper frame on which particle diffusion occurs. We investigate the inward diffusion process by numerical simulation of particles on a constrained phase space. The results reveal the emergence of the inhomogeneous density gradient and anisotropic heating, which is consistent with spacecraft observations, experimental observations, and the recently formulated diffusion model on the constrained phase space.
Enhanced tunneling electroresistance in multiferroic tunnel junctions due to the reversible modulation of orbitals overlap
Authors: Jiang Leina , Tao L. L. , Yang B. S. , Wang J. , Han X. F.
Published: November 2016

We report a first-principles study of the ferroelectricity and spin-dependent transport through Co/BaTiO3/CoO/Co multiferroic tunnel junctions (MFTJs). We find the coexistence of large tunneling magnetoresistance (TMR) ratio and large tunneling electroresistance (TER) ratio in the MFTJs. The large TMR effect originates from the spin-filter tunneling through the BaTiO3 barrier, while the TER effect is due to the modulation of orbitals overlap by polarization reversal. The microscopic physics of TER are identified and understood through the analysis of metal-oxygen relative displacements, local polarization magnitude, transmission in momentum space and real space scattering states. Our results provide a practical way to achieve the coexistence of large TER and TMR effects in MFTJs.
Terahertz gas spectroscopy through self-mixing in a quantum-cascade laser
Authors: Hagelschuer T. , Wienold M. , Richter H. , Schrottke L. , Biermann K. , Grahn H. T. , Hübers H.-W.
Published: November 2016

We demonstrate the feasibility of high-resolution terahertz gas spectroscopy based on the external optical feedback effect in a quantum-cascade laser. Tuning the frequency of the quantum-cascade laser across a molecular absorption line of CH3OH leads to a reduction of the optical feedback, which can be detected by monitoring the voltage across the quantum-cascade laser. This method provides a high spectral resolution of ν/Δν=106 and a sensitivity comparable to that obtained with a cryogenically cooled Ge:Ga photoconductive detector.
An InN/InGaN/GaN nanowire array guided wave photodiode on silicon
Authors: Hazari Arnab , Zunaid Baten Md. , Yan Lifan , Millunchick Joanna M. , Bhattacharya Pallab
Published: November 2016

The III-nitride nanowire heterostructure arrays with multiple InN disk light absorbing regions have been grown by plasma-assisted molecular beam epitaxy on (001)Si substrates, and guided wave photodiodes have been fabricated and characterized. The spectral photocurrent of the devices has been measured under reverse bias, and the data exhibit distinct shoulders in the range of 0.69–3.2 eV (0.39–1.8 μm). The estimated responsivity at a wavelength of 1.3 μm is 0.2 A/W. The nanowire photodiode response was also measured with an excitation at one facet provided by an edge-emitting laser fabricated with the same nanowire array and emitting at 1.3 μm.
Robert Street 1920–2013
Authors: Barber Michael N. , McCormick Paul G.
Published: November 2016

Following wartime work on radar and a University of London PhD awarded for measurement of absolute power, Bob Street developed his interest in low-temperature magnetism in solids while on the staff at Sheffield University. In 1960 he became Foundation Professor of Physics at Monash University where he built a department with strong capabilities in solid state physics. His own research continued at Monash but was put aside when he became Director of the Research School of Physical Sciences at the Australian National University (1973–7) and then Vice-Chancellor at the University of Western Australia (1978–86). Although the ANU experience was not a happy one, he flourished at UWA where his initiatives and strategic thinking laid the groundwork for advancement of the university. Street had kept up with advances in his research field and upon retirement he went back to it with notable success in publication, supervision of research students, acquisition of research grants and fruitful collaborations. He is fondly remembered as a first class physicist with a passion for cricket.
Experience of domestic violence routine screening in Family Planning NSW clinics
Authors: Hunter Tara , Botfield Jessica R. , Estoesta Jane , Markham Pippa , Robertson Sarah , McGeechan Kevin
Published: November 2016

Background: This study reviewed implementation of the Domestic Violence Routine Screening (DVRS) program at Family Planning NSW and outcomes of screening to determine the feasibility of routine screening in a family planning setting and the suitability of this program in the context of women’s reproductive and sexual health. Methods: A retrospective review of medical records was undertaken of eligible women attending Family Planning NSW clinics between 1 January and 31 December 2015. Modified Poisson regression was used to estimate prevalence ratios and assess association between binary outcomes and client characteristics. Results: Of 13 440 eligible women, 5491 were screened (41%). Number of visits, clinic attended, age, employment status and disability were associated with completion of screening. In all, 220 women (4.0%) disclosed domestic violence. Factors associated with disclosure were clinic attended, age group, region of birth, employment status, education and disability. Women who disclosed domestic violence were more likely to have discussed issues related to sexually transmissible infections in their consultation. All women who disclosed were assessed for any safety concerns and offered a range of suitable referral options. Conclusion: Although routine screening may not be appropriate in all health settings, given associations between domestic violence and sexual and reproductive health, a DVRS program is considered appropriate in sexual and reproductive health clinics and appears to be feasible in a service such as Family Planning NSW. Consistent implementation of the program should continue at Family Planning NSW and be expanded to other family planning services in Australia to support identification and early intervention for women affected by domestic violence.
Tracking fertiliser and soil nitrogen in irrigated cotton: uptake, losses and the soil N stock
Authors: Macdonald B. C. T. , Chang Y. F. , Nadelko A. , Tuomi S. , Glover M.
Published: November 2016

This paper explores the importance of the N loss pathways relative to the immobilisation and soil mineral N supply during a cotton season. Despite using an agronomic practice of splitting urea application to reduce losses and an optimal rate (232kg urea-N ha–1) for the experiment, the average fertiliser recovery was 32%, which indicates that soil N mineralisation is a key source of N for irrigated cotton production systems. A large amount of the fertiliser (62kgNha–1) was immobilised in the soil at the end of the season and during the season the soil supplied 159kgNha–1 to the plant via mineralisation. During the season, large N losses occurred from the field via the atmospheric, deep drainage and surface run-off pathways (143kgNha–1). The losses occurred directly after fertilisation, predominantly at the start of the season when the majority of the urea fertiliser was applied (180kg urea-N ha–1). This indicates that the form, placement and timing of the fertiliser did not synchronise with soil and crop N dynamics and irrigation practice. Over the course of the measurement season, based on the N inputs, losses and storage budget, a 42kgNha–1 soil deficit was observed. Further longer term work is required to quantify the magnitude and significance of the soil N stock across different systems.
Word order patterns in the Old High German right periphery and their Indo-European origins
Authors: Sapp Christopher
Published: November 2016

I investigate deviations from the OV order in the OHG textsIsidorandTatian. Abstracting away from cases of verb-second, post-verbal constituents tend to be heavy or focused. OHG thus has a head-final VP with extraposition of NPs and PPs. Likewise, verbal complexes with the order finite before non-finite are derived by Verb (Projection) Raising. Ancient Indo-European languages are also underlyingly OV with evidence for extraposition. This suggests that OHG inherited the head-final VP, extraposition and even V(P)R from Proto-Indo-European. Because extraposition and V(P)R are at the periphery of grammar, the resulting surface orders have not resulted in parametric change to the VP from Proto-Indo-European to present-day German.
Fictive interaction and the nature of linguistic meaning
Authors: Sandler Sergeiy
Published: November 2016

One may distinguish between three broad conceptions of linguistic meaning. One conception, which I will call “logical”, views meaning as given in reference (for words) and truth (for sentences). Another conception, the “monological” one, seeks meaning in the cognitive capacities of the single mind. A third, “dialogical”, conception attributes meaning to interaction between individuals and personal perspectives. In this chapter I directly contrast how well these three approaches deal with the evidence brought forth by fictive interaction. I examine instances of fictive interaction and argue that intersubjectivity in these instances cannot be reduced to either referential-logical or individual-cognitive semantic notions. It follows that intersubjectivity must belong to the essence of linguistic meaning.