bluuebunny/crossref_metadata_2025 huggingface dataset:
The partially controllable growth trend of carbon nanoparticles in solid-state pyrolysis of organometallic precursor by introducing POSS units, and their magnetic properties
Authors: Ruan Zhijun , Qin Jingui , Li Zhen
Published: July 2015

Organometallic compounds T (without POSS unit) and PT (containing three POSS units) are synthesized for solid-state pyrolysis. When increasing the pyrolysis temperature, the precursors with and without POSS unit show opposite growth trend.
Dual-enhancement of photoluminescence and cathodoluminescence in Eu3+-activated SrMoO4 phosphors by Na+ doping
Authors: Du Peng , Yu Jae Su
Published: July 2015

Energy level diagram of Eu3+ ions as well as possible PL mechanism in Eu3+-activated SrMoO4 phosphors. PL spectra of Sr0.93−yMoO4:0.07Eu3+/yNa+ phosphors excited at 290 nm.
Self-modification of TiO2 one-dimensional nano-materials by Ti3+ and oxygen vacancy using Ti2O3 as precursor
Authors: Liu Yumeng , Wang Junpeng , Yang Ping , Matras-Postolek Katarzyna
Published: July 2015

TiO2 one-dimensional nano-materials with Ti3+ and oxygen vacancy fabricated through a two-step synthesis revealed diverse photocatalytic activity.
New organic dyes with high IPCE values containing two triphenylamine units as co-donors for efficient dye-sensitized solar cells
Authors: Echeverry Carlos A. , Cotta Robert , Castro Edison , Ortiz Alejandro , Echegoyen Luis , Insuasty Braulio
Published: July 2015

New bis-TPA-based organic dyes for DSSCs showed high IPCE values dependent on π-conjugation.
Inhibition of copper corrosion in cooling seawater under flowing conditions by novel pyrophosphate
Authors: Deyab M. A. , Essehli R. , El Bali B.
Published: July 2015

The inhibition of copper corrosion in cooling seawater by novel pyrophosphate molecule SrNiP2O7(SNP) was investigated under flowing conditions using mass-loss and electrochemical methods.
Modeling EPR parameters of nitrogen containing conjugated radical cations
Authors: Hermosilla L. , Calle P. , García de la Vega J. M.
Published: July 2015

DFT investigation on conjugated radical cations containing14N nucleus to obtain accurate isotropic hyperfine coupling constants.
Pore modification of deca-dodecasil-rhombohedral zeolite membrane by carbon loading from in situ decomposition of 1-adamantanamine for improved gas separation
Authors: Bose Ankita , Das Jugal Kishore , Das Nandini
Published: July 2015

Carbon loading by decomposition of 1-adamantanamine in the pores of a DDR zeolite membrane increases H2–CO2 permeance and separation efficiency.
The first study of surface modified silica nanoparticles in pressure-decreasing application
Authors: Dai Caili , Wang Shilu , Li Yuyang , Gao Mingwei , Liu Yifei , Sun Yongpeng , Zhao Mingwei
Published: July 2015

Hydrophobic silica nanoparticles were prepared through surface modification of silica nanoparticles by (dimethyldichlorosilane) DMCS for pressure-decreasing in oilfield.
Solvophobic control aggregation-induced emission of tetraphenylethene-substituted naphthalene diimide via intramolecular charge transfer
Authors: Rananaware Anushri , La Duong Duc , Bhosale Sheshanath V.
Published: July 2015

Tuning non-emissive NDIs into highly fluorescent material in aggregated by employing AIE-active tetraphenylethylene to the core via ICT effect.
Phase transition and piezoelectric properties of alkali niobate ceramics through composition tuning
Authors: Wang Yuanyu , Xu Nuoxin , Zhang Qilong , Yang Hui
Published: July 2015

(1 − x)(K0.40Na0.60)(Nb0.95Sb0.05)O3–x(Bi0.5K0.5)HfO3 lead-free piezoceramics was designed. R–O–T phase boundary has been successfully achieved, which can remarkably enhance piezoelectric properties.
Adsorption behavior of a computer-aid designed magnetic molecularly imprinted polymer via response surface methodology
Authors: Zhang Kai , Zou Wenyue , Zhao Hongyan , Dramou Pierre , Pham-Huy Chuong , He Jia , He Hua
Published: July 2015

A combined computer simulation and experimental study of magnetic a molecularly imprinted polymer was put forward and verified.
Catalytic oxidation of 4-chlorophenol with magnetic Fe3O4 nanoparticles: mechanisms and particle transformation
Authors: Cheng Rong , Li Guan-qing , Cheng Can , Shi Lei , Zheng Xiang , Ma Zhong
Published: July 2015

Nanosized Fe3O4 showed high catalytic activity even after being used several times, and reactive sites on surface increased resulted in the higher activity of particles. ˙OH produced during reaction was the main cause for degradation of 4-CP.
Superparamagnetic amorphous iron oxide nanowires self-assembled into ordered layered structures
Authors: Iacob M. , Sirbu D. , Tugui C. , Stiubianu G. , Sacarescu L. , Cozan V. , Zeleňáková A. , Čižmár E. , Feher A. , Cazacu M.
Published: July 2015

The thermal decomposition of μ3-oxo trinuclear iron(iii) acetate in presence of dodecylamine and oleic acid, in trichloroacetic acid at 320 °C was optimized to obtain iron oxide nanoparticles with pure nanowire morphology.
Green synthesis of bisphenol F over 12-phosphotungstic acid supported on acid-activated palygorskite
Authors: Liu Ran , Niu Xiaozhen , Xia Xinnian , Zeng Zebing , Zhang Guozhong , Lu Yanbing
Published: July 2015

Hydroxyalkylation of phenol to bisphenol F under mild conditions over various solid acid catalysts.
Graphene: a self-reducing template for synthesis of graphene–nanoparticles hybrids
Authors: Devi M. Manolata , Sahu Sumit Ranjan , Mukherjee Puspal , Sen Pratik , Biswas Krishanu
Published: July 2015

The integration of graphene with certain metallic nanoparticles, such as Au, Ag, Pt, Pd, Cu,etc., to produce a new generation of hybrid materials is a field of intense research nowadays.
Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroism
Authors: Venturini Diego , Pastrello Bruna , Zeraik Maria Luiza , Pauli Ivani , Andricopulo Adriano Defini , Silva-Filho Luiz Carlos , Bolzani V. S. , Morgon Nelson Henrique , da Souza A. R. , Ximenes Valdecir Farias
Published: July 2015

Axial chirality in diapocynin induced by human albumin.
Effect of polymer charge on the formation and stability of anti-inflammatory drug loaded nanostructured lipid carriers: physicochemical approach
Authors: Sapkota Manish , Karmakar Gourab , Nahak Prasant , Guha Pritam , Roy Biplab , Koirala Suraj , Chettri Priyam , Das Kalipada , Misono Takeshi , Torigoe Kanjiro , Panda Amiya Kumar
Published: July 2015

Proposed model of NSAID-loaded and polymer-coated NLC along with its size dependence (), PDI (), release rate (), and absorption maxima () as well as its morphology and antibacterial activity.
Performance of wastewater biological phosphorus removal under long-term exposure to CuNPs: adapting toxicity via microbial community structure adjustment
Authors: Chen Hong , Li Xiang , Chen Yinguang , Liu Yanan , Zhang He , Xue Gang
Published: July 2015

Copper nanoparticles (CuNPs) have been used in a wide range of applications, and the released CuNPs entering wastewater treatment plants (WWTP) might pose potential risks to the wastewater biological treatment process, such as phosphorus removal.
Facile and green synthesis of graphene oxide by electrical exfoliation of pencil graphite and gold nanoparticle for non-enzymatic simultaneous sensing of ascorbic acid, dopamine and uric acid
Authors: Imran Habibulla , Manikandan Palinci Nagarajan , Dharuman Venkataraman
Published: July 2015

Pencil graphite is electrochemically exfoliated to gain few layered graphene oxide in HCl, NaOH and phosphate buffer saline without ionic liquid for the first time and used for simultaneous sensing of dopamine, ascorbic acid and uric acid in the presence of Au nanoparticles.
Azide–acetonitrile “click” reaction triggered by Cs2CO3: the atom-economic, high-yielding synthesis of 5-amino-1,2,3-triazoles
Authors: Krishna Patoju M. , Ramachary Dhevalapally B. , Peesapati Sruthi
Published: July 2015

Medicinally important 5-amino-1,2,3-triazoles were synthesized using a novel Cs2CO3-catalyzed azide–acetonitrile [3 + 2]-cycloaddition. Aryl azides and aryl acetonitriles were employed in this transformation resulting in excellent yields with high regioselectivity.
Promotional recyclable Li-ion batteries by a magnetic binder with anti-vibration and non-fatigue performance
Authors: Liu Xizheng , Li De , Bai Songyan , Zhou Haoshen
Published: July 2015

Magnetic Fe3O4 particles are used as the binder in a Li-ion battery. This new battery gives a long cycle life and can work well even after intensive vibration. The electrode is fabricated in a liquid-free process and can be easily recycled after battery disposal. It decrease the total cost and pollutant emission over the whole battery life.
Effect of the molecular structure of the host materials on the lifetime of green thermally activated delayed fluorescent organic light-emitting diodes
Authors: Im Yirang , Song Wook , Lee Jun Yeob
Published: July 2015

The effect of the molecular structure of the host materials on the efficiency and lifetime of the green thermally activated delayed fluorescent devices was studied using two dibenzothiophene derived host materials.
Optical properties and structural investigations of (11-22)-oriented GaN/Al0.5Ga0.5N quantum wells grown by molecular beam epitaxy
Authors: Rosales Daniel , Gil Bernard , Bretagnon Thierry , Brault Julien , Vennéguès Philippe , Nemoz Maud , de Mierry Philippe , Damilano Benjamin , Massies Jean , Bigenwald Pierre
Published: July 2015

We have grown (11-22)-oriented GaN/Al0.5Ga0.5N quantum wells (QWs) using molecular beam epitaxy on GaN (11-22)-oriented templates grown by metal-organic vapor phase epitaxy on m-plane oriented sapphire substrates. The performance of epitaxial growth of GaN/Al0.5Ga0.5N heterostructures on the semi-polar orientation (11-22) in terms of surface roughness and structural properties, i.e., strain relaxation mechanisms is discussed. In addition, high resolution transmission electron microscopy reveals very smooth QW interfaces. The photoluminescence of such samples are strictly originating from radiative recombination of free excitons for temperatures above 100 K. At high temperature, the population of localized excitons, moderately trapped (5 meV) at low temperature, is negligible.
Melting point trends and solid phase behaviors of model salts with ion size asymmetry and distributed cation charge
Authors: Lindenberg E. K. , Patey G. N.
Published: July 2015

The melting point trends of model salts composed of coarse grain ions are examined using NPT molecular dynamics simulations. The model salts incorporate ion size asymmetry and distributed cation charge, which are two common features in ionic liquids. A series of single-phase and two-phase simulations are done at set temperatures with 50 K intervals for each salt, and the normal melting point is estimated within 50 K. The melting point trends are then established relative to a charge-centered, size symmetric salt with a normal melting point between 1250 K and 1300 K. We consider two sets of size asymmetric salts with size ratios up to 3:1; the melting point trends are different in each set. The lowest melting point we find is between 450 K and 500 K, which is a reduction of over 60% from the charge-centered, size symmetric case. In both sets, we find diversity in the solid phase structures. For all size ratios with small cation charge displacements, the salts crystallize with orientationally disordered cations. When the partial cation charge is far enough off-center in salts with ion size ratios near 1:1, the salts can become trapped in glassy states and have underlying crystal structures that are orientationally ordered. At ion size ratios near 3:1, the salts with large cation charge displacements show premelting transitions at temperatures as low as 300 K. After the premelting transition, these salts exist either as fast ion conductors, where the smaller anions move through a face centered cubic (fcc) cation lattice, or as plastic crystals, where ion pairs rotate on a fcc lattice.
Proof-of-principle demonstration of a virtual flow meter-based transducer for gaseous helium monitoring in particle accelerator cryogenics
Authors: Arpaia P. , Blanco E. , Girone M. , Inglese V. , Pezzetti M. , Piccinelli F. , Serio L.
Published: July 2015

A transducer based on a virtual flow meter is proposed for monitoring helium distribution and consumption in cryogenic systems for particle accelerators. The virtual flow meter allows technical and economical constraints, preventing installation of physical instruments in all the needed measurement points, to be overcome. Virtual flow meter performance for the alternative models of Samson [ http://www.samson.de (2015)] and Sereg-Schlumberger [ http://www.slb.com/ (2015)] is compared with the standard IEC 60534-2-1 [Industrial-process control valves—Part 2-1: Flow capacity—sizing equations for fluid flow under installed conditions (2011), https://webstore.iec.ch/publication/2461], for a large temperature range, for both gaseous and liquid helium phases, and for different pressure drops. Then, the calibration function of the transducer is derived. Finally, the experimental validation for the helium gaseous state on the test station for superconducting magnets in the laboratory SM18 [Pirotte et al., AIP Conf. Proc. 1573, 187 (2014)] at CERN is reported.
Numerical investigation of fast-wave propagation and radio-frequency sheath interaction with a shaped tokamak wall
Authors: Kohno H. , Myra J. R. , D'Ippolito D. A.
Published: July 2015

Interactions between propagating fast waves and radio-frequency (RF) sheaths in the ion cyclotron range of frequencies are numerically investigated based on a cold fluid plasma model coupled with a sheath boundary condition. In this two-dimensional study, the capability of the finite element code rfSOL, which was developed in previous numerical work, is extended to analyze self-consistent RF sheath-plasma interaction problems in a tokamak with a non-circular cross-section. It is found that a large sheath voltage is generated near the edges of the limiter-shaped deformation as a result of the conversion from fast to slow waves on the sheaths. The sheath voltage associated with this conversion is particularly significant in the localized region where the contact angle between the magnetic field line and the conducting wall varies rapidly along the curved sheath surface, which is consistent with the results in previous one-dimensional theoretical work. The dependences of the RF sheaths on various parameters in plasma such as the toroidal wavenumber, edge plasma density, and the degree of the RF wave absorption in the core region are also examined in detail.
A sensitive Faraday rotation setup using triple modulation
Authors: Phelps G. , Abney J. , Broering M. , Korsch W.
Published: July 2015

The utilization of polarized targets in scattering experiments has become a common practice in many major accelerator laboratories. Noble gases are especially suitable for such applications, since they can be easily hyper-polarized using spin exchange or metastable pumping techniques. Polarized helium-3 is a very popular target because it often serves as an effective polarized neutron due to its simple nuclear structure. A favorite cell material to generate and store polarized helium-3 is GE-180, a relatively dense aluminosilicate glass. In this paper, we present a Faraday rotation method, using a new triple modulation technique, where the measurement of the Verdet constants of SF57 flint glass, pyrex glass, and air was tested. The sensitivity obtained shows that this technique may be implemented in future cell wall characterization and thickness measurements. We also discuss the first ever extraction of the Verdet constant of GE-180 glass for four wavelength values of 632 nm, 773 nm, 1500 nm, and 1547 nm, whereupon the expected 1/λ2 dependence was observed.
Theoretical analysis of degradation mechanisms in the formation of morphogen gradients
Authors: Bozorgui Behnaz , Teimouri Hamid , Kolomeisky Anatoly B.
Published: July 2015

Fundamental biological processes of development of tissues and organs in multicellular organisms are governed by various signaling molecules, which are called morphogens. It is known that spatial and temporal variations in the concentration profiles of signaling molecules, which are frequently referred as morphogen gradients, lead to a cell differentiation via activating specific genes in a concentration-dependent manner. It is widely accepted that the establishment of the morphogen gradients involves multiple biochemical reactions and diffusion processes. One of the critical elements in the formation of morphogen gradients is a degradation of signaling molecules. We develop a new theoretical approach that provides a comprehensive description of the degradation mechanisms. It is based on the idea that the degradation works as an effective potential that drives the signaling molecules away from the source region. Utilizing the method of first-passage processes, the dynamics of the formation of morphogen gradients for various degradation mechanisms is explicitly evaluated. It is found that linear degradation processes lead to a dynamic behavior specified by times to form the morphogen gradients that depend linearly on the distance from the source. This is because the effective potential due to the degradation is quite strong. At the same time, nonlinear degradation mechanisms yield a quadratic scaling in the morphogen gradients formation times since the effective potentials are much weaker. Physical-chemical explanations of these phenomena are presented.
When is a single molecule heterogeneous? A multidimensional answer and its application to dynamics near the glass transition
Authors: Verma Sachin Dev , Vanden Bout David A. , Berg Mark A.
Published: July 2015

Even for apparently simple condensed-phase processes, bulk measurements of relaxation often yield nonexponential decays; the rate appears to be dispersed over a range of values. Taking averages over individual molecules is an intuitive way to determine whether heterogeneity is responsible for such rate dispersion. However, this method is in fundamental conflict with ergodic behavior and often yields ambiguous results. This paper proposes a new definition of rate heterogeneity for ergodic systems based on multidimensional time correlation functions. Averages are taken over both time and molecules. Because the data set is not subdivided, the signal-to-noise ratio is improved. Moment-based quantities are introduced to quantify the concept of rate dispersion. As a result, quantitative statements about the fraction of the dispersion due to heterogeneity are possible, and the experimental noise is further averaged. The practicality of this approach is demonstrated on single-molecule, linear-dichroism trajectories for R6G in poly(cyclohexyl acrylate) near its glass transition. Single-molecule averaging of these data does not provide useful conclusions [C. Y. Lu and D. A. Vanden Bout, J. Chem. Phys. 125, 124701 (2006)]. However, full-ensemble, two- and three-dimensional averages of the same data give clear and quantitative results: the rate dispersion is 95% ± 5% due to heterogeneity, and the rate exchange is at least 11 times longer than the mean rotation time and possibly much longer. Based on these results, we suggest that the study of heterogeneous materials should not focus on “ensemble” versus “single-molecule” experiments, but on one-dimensional versus multidimensional measurements.
Corresponding states law for a generalized Lennard-Jones potential
Authors: Orea P. , Romero-Martínez A. , Basurto E. , Vargas C. A. , Odriozola G.
Published: July 2015

It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the corresponding temperature and that at the critical point. In this work, we further test this proposal for another generalization of the Lennard-Jones pair potential. This is carried out for vapor-liquid coexistence densities, surface tension, and vapor pressure, along a temperature window set below the critical point. For this purpose, we perform molecular dynamics simulations by varying the potential softness parameter to produce from very short to intermediate attractive ranges. We observed all properties to collapse and yield master curves. Moreover, the vapor-liquid curve is found to share the exact shape of the Mie and attractive Yukawa. Furthermore, the surface tension and the logarithm of the vapor pressure are linear functions of this difference of reduced second virial coefficients.
Accurate mean-field modeling of the Barkhausen noise power in ferromagnetic materials, using a positive-feedback theory of ferromagnetism
Authors: Harrison R. G.
Published: July 2015

A mean-field positive-feedback (PFB) theory of ferromagnetism is used to explain the origin of Barkhausen noise (BN) and to show why it is most pronounced in the irreversible regions of the hysteresis loop. By incorporating the ABBM-Sablik model of BN into the PFB theory, we obtain analytical solutions that simultaneously describe both the major hysteresis loop and, by calculating separate expressions for the differential susceptibility in the irreversible and reversible regions, the BN power response at all points of the loop. The PFB theory depends on summing components of the applied field, in particular, the non-monotonic field-magnetization relationship characterizing hysteresis, associated with physical processes occurring in the material. The resulting physical model is then validated by detailed comparisons with measured single-peak BN data in three different steels. It also agrees with the well-known influence of a demagnetizing field on the position and shape of these peaks. The results could form the basis of a physics-based method for modeling and understanding the significance of the observed single-peak (and in multi-constituent materials, multi-peak) BN envelope responses seen in contemporary applications of BN, such as quality control in manufacturing, non-destructive testing, and monitoring the microstructural state of ferromagnetic materials.
Generation of solution plasma over a large electrode surface area
Authors: Saito Genki , Nakasugi Yuki , Akiyama Tomohiro
Published: July 2015

Solution plasma has been used in a variety of fields such as nanomaterials synthesis, the degradation of harmful substances, and solution analysis. However, as existing methods are ineffective in generating plasma over a large surface area, this study investigated the contact glow discharge electrolysis, in which the plasma was generated on the electrode surface. To clarify the condition of plasma generation, the effect of electrolyte concentration and temperature on plasma formation was studied. The electrical energy needed for plasma generation is higher than that needed to sustain a plasma, and when the electrolyte temperature was increased from 32 to 90 °C at 0.01 M NaOH solution, the electric power density for vapor formation decreased from 2005 to 774 W/cm2. From these results, we determined that pre-warming of the electrolyte is quite effective in generating plasma at lower power density. In addition, lower electrolyte concentrations required higher power density for vapor formation owing to lower solution conductivity. On the basis these results, a method for large-area and flat-plate plasma generation is proposed in which an initial small area of plasma generation is extended. When used with a plate electrode, a concentration of current to the edge of the plate meant that plasma could be formed by covering the edge of the electrode plate.
High hole mobility tin-doped polycrystalline germanium layers formed on insulating substrates by low-temperature solid-phase crystallization
Authors: Takeuchi Wakana , Taoka Noriyuki , Kurosawa Masashi , Sakashita Mitsuo , Nakatsuka Osamu , Zaima Shigeaki
Published: July 2015

We investigated the effects of incorporation of 0%–2% tin (Sn) into amorphous germanium (Ge) on its crystallization behavior and electrical properties. Incorporation of only 0.2% Sn caused the polycrystallization temperature of Ge to lower from 450 to 430 °C, while a polycrystalline Ge1−xSnx layer with high crystallinity compared to that of polycrystalline Ge was formed by incorporation of 2% Sn. A polycrystalline Ge1−xSnx layer with a low Sn content of 2% annealed at 450 °C exhibited a Hall hole mobility as high as 130 cm2/V s at room temperature even though it possessed a small grain size of 20–30 nm. The Hall hole mobility of a poly-Ge1−xSnx layer with an Sn content of 2% was four times higher than that of a polycrystalline Ge layer and comparable to that of single-crystalline silicon.
Interchange mode excited by trapped energetic ions
Authors: Nishimura Seiya
Published: July 2015

The kinetic energy principle describing the interaction between ideal magnetohydrodynamic (MHD) modes with trapped energetic ions is revised. A model is proposed on the basis of the reduced ideal MHD equations for background plasmas and the bounce-averaged drift-kinetic equation for trapped energetic ions. The model is applicable to large-aspect-ratio toroidal devices. Specifically, the effect of trapped energetic ions on the interchange mode in helical systems is analyzed. Results show that the interchange mode is excited by trapped energetic ions, even if the equilibrium states are stable to the ideal interchange mode. The energetic-ion-induced branch of the interchange mode might be associated with the fishbone mode in helical systems.
Gold–superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
Authors: Rampino Sergio , Storchi Loriano , Belpassi Leonardo
Published: July 2015

The chemistry of superheavy elements (Z ≥ 104) is actively investigated in atom-at-a-time experiments of volatility through adsorption on gold surfaces. In this context, common guidelines for interpretation based on group trends in the periodic table should be used cautiously, because relativistic effects play a central role and may cause predictions to fall short. In this paper, we present an all-electron four-component Dirac-Kohn-Sham comparative study of the interaction of gold with Cn (Z = 112), Fl (Z = 114), and Uuo (Z = 118) versus their lighter homologues of the 6th period, Hg, Pb, and Rn plus the noble gas Xe. Calculations were carried out for Au–E (E = Hg, Cn, Pb, Fl, Xe, Rn, Uuo), Au7– and Au20–E (E = Hg, Cn, Pb, Fl, Rn) complexes, where Au7 (planar) and Au20 (pyramidal) are experimentally determined clusters having structures of increasing complexity. Results are analysed both in terms of the energetics of the complexes and of the electron charge rearrangement accompanying their formation. In line with the available experimental data, Cn and more markedly Fl are found to be less reactive than their lighter homologues. On the contrary, Uuo is found to be more reactive than Rn and Xe. Cn forms the weakest bond with the gold atom, compared to Fl and Uuo. The reactivity of Fl decreases with increasing gold-fragment size more rapidly than that of Cn and, as a consequence, the order of the reactivity of these two elements is inverted upon reaching the Au20-cluster adduct. Density difference maps between adducts and fragments reveal similarities in the behaviour of Cn and Xe, and in that of Uuo and the more reactive species Hg and Pb. These findings are given a quantitative ground via charge-displacement analysis.
Enhanced bolometric properties of TiO2−x thin films by thermal annealing
Authors: Ashok Kumar Reddy Y. , Shin Young Bong , Kang In-Ku , Lee Hee Chul , Sreedhara Reddy P.
Published: July 2015

The effect of thermal annealing on the bolometric properties of TiO2−x films was investigated. The test-patterned TiO2−x samples were annealed at 300 °C temperature in order to enhance their structural and electrical properties for effective infrared image sensor device applications. The crystallinity was changed from amorphous to rutile/anatase in annealed TiO2−x films. Compared to the as-deposited samples, a decrement of the band gap and a decrease of the electrical resistivity were perceived in annealed samples. We found that the annealed samples show linear current-voltage (I−V) characteristic performance, which implies that ohmic contact was well formed at the interface between the TiO2−x and the Ti electrode. Moreover, the annealed TiO2−x sample had a significantly low 1/f noise parameter (1.21 × 10−13) with a high bolometric parameter (β) value compared to those of the as-deposited samples. As a result, the thermal annealing process can be used to prepare TiO2−x film for a high-performance bolometric device.
The role of fluid-wall interactions on confined liquid diffusion using Mori theory
Authors: Devi Reena , Srivastava Sunita , Tankeshwar K.
Published: July 2015

The dynamics of fluid confined in a nano-channel with smooth walls have been studied through velocity autocorrelation function within the memory function approach by incorporating the atomic level interactions of fluid with the confining wall. Expressions for the second and fourth sum rules of velocity autocorrelation have been derived for nano-channel which involves fluid-fluid and fluid-wall interactions. These expressions, in addition, involve pair correlation function and density profiles. The numerical contributions of fluid-wall interaction to sum rules are found to play a very significant role, specifically at smaller channel width. Results obtained for velocity autocorrelation and self-diffusion coefficient of a fluid confined to different widths of the nanochannel have been compared with the computer simulation results. The comparison shows a good agreement except when the width of the channel is of the order of two atomic diameters, where it becomes difficult to estimate sum rules involving the triplet correlation’s contribution.
Crystal structure dependent thermal conductivity in two-dimensional phononic crystal nanostructures
Authors: Nakagawa Junki , Kage Yuta , Hori Takuma , Shiomi Junichiro , Nomura Masahiro
Published: July 2015

Thermal phonon transport in square- and triangular-lattice Si phononic crystal (PnC) nanostructures with a period of 300 nm was investigated by measuring the thermal conductivity using micrometer-scale time-domain thermoreflectance. The placement of circular nanoholes has a strong influence on thermal conductivity when the periodicity is within the range of the thermal phonon mean free path. A staggered hole structure, i.e., a triangular lattice, has lower thermal conductivity, where the difference in thermal conductivity depends on the porosity of the structure. The largest difference in conductivity of approximately 20% was observed at a porosity of around 30%. This crystal structure dependent thermal conductivity can be understood by considering the local heat flux disorder created by a staggered hole structure. Numerical simulation using the Monte Carlo technique was also employed and also showed the lower thermal conductivity for a triangular lattice structure. Besides gaining a deeper understanding of nanoscale thermal phonon transport, this information would be useful in the design of highly efficient thermoelectric materials created by nanopatterning.
Soret coefficients of the ternary mixture 1,2,3,4-tetrahydronaphthalene + isobutylbenzene + n-dodecane
Authors: Larrañaga Miren , Bou-Ali M. Mounir , Lizarraga Ion , Madariaga Jose Antonio , Santamaría Carlos
Published: July 2015

In this work, the transport coefficients of the ternary mixtures of the diffusion coefficient measurements in ternary mixtures 1 project were determined. The analyzed ternary mixtures are formed by 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and dodecane (nC12) at different compositions. In all cases, the analysis was carried out at 25 °C. The thermodiffusion coefficients were measured by a new thermogravitational column, and the molecular diffusion coefficients were determined by the sliding symmetric tubes technique. Finally, the Soret coefficients were ascertained from the measurements of the thermodiffusion and molecular diffusion coefficients. In addition, two new quantitative correlations which enable the prediction of the thermodiffusion and Soret coefficients of a ternary mixture are presented. The comparison between the experimental and the predicted data shows a good agreement. The presented results help to complete the lack of experimental data in ternary mixtures. In addition, this work improves the fundamental understanding of multicomponent mixtures.
A many-body term improves the accuracy of effective potentials based on protein coevolutionary data
Authors: Contini A. , Tiana G.
Published: July 2015

The study of correlated mutations in alignments of homologous proteins proved to be successful not only in the prediction of their native conformation but also in the development of a two-body effective potential between pairs of amino acids. In the present work, we extend the effective potential, introducing a many-body term based on the same theoretical framework, making use of a principle of maximum entropy. The extended potential performs better than the two-body one in predicting the energetic effect of 308 mutations in 14 proteins (including membrane proteins). The average value of the parameters of the many-body term correlates with the degree of hydrophobicity of the corresponding residues, suggesting that this term partly reflects the effect of the solvent.
Semimetallic transport properties of epitaxially stabilized perovskite CaIrO3 films
Authors: Hirai Daigorou , Matsuno Jobu , Nishio-Hamane Daisuke , Takagi Hidenori
Published: July 2015

We report on the synthesis and transport properties of perovskite (Pv) CaIrO3 thin films. The Pv phase of CaIrO3 was stabilized by epitaxial growth on SrTiO3, (LaAlO3)0.3(Sr2AlTaO6)0.7, and LaAlO3 substrates with strong tensile, weak tensile, and compressive strains, respectively. The resistivity of these films showed a poorly metallic behavior. The Hall resistivity exhibited a sign change as a function of temperature and a nonlinear magnetic-field dependence, which clearly indicated the coexistence of electrons and holes and hence supported that Pv CaIrO3 films are semimetallic. The observed robustness of the semimetallic ground state against tensile and compressive strains is consistent with the presence of symmetry-protected Dirac points (nodes) around the Fermi level that prohibits the system from becoming a band insulator.
Improving assessments of tidal power potential using grid refinement in the Coupled Ocean-Atmosphere-Wave-Sediment Transport model
Authors: Yang Xiufeng , Haas Kevin A.
Published: July 2015

Tidal currents are a promising source for future power generation given their periodicity and predictability. Therefore, numerical hydrodynamic models are frequently utilized for resource assessments. However, the relevant scales of the simulations and hence modeling techniques depend on the problem at hand. This paper shows the potential of the grid refinement technique for the assessment of tidal current energy for particular sites given its relatively low computational expense and high accuracy for the regions with the refined resolution. Example applications are described for mapping the tidal resources near two facilities (Portsmouth Naval Shipyard in Maine and Key West Naval Station in Florida) for possible future deployments of Marine Hydro-Kinetic technologies. The grid refinement capability in the coupled ocean-atmosphere-wave-sediment transport modeling system is used to improve the spatial resolution in the regions of interest, and has shown significant advantage over the original simulation results for the tidal power assessment. The numerical simulation results from both the original coarse grids and the refined grids are validated with measured tidal constituents at available locations. This study demonstrates how the enhancement of a model system for a regional tidal energy with grid refinement can assist with the performance of site specific resource assessments with modest computational expense.
Identification of defect-related emissions in ZnO hybrid materials
Authors: Niu Wei , Zhu Hao , Wang Xuefeng , Ye Jiandong , Song Fengqi , Zhou Jianfeng , Gu Shulin , Shi Yi , Xu Yongbing , Zhang Rong
Published: July 2015

ZnO hybrid materials with singly precipitated ZnO nanocrystals embedded in the glass surface were fabricated by melt-quenching method followed by the annealing process. A series of samples containing different densities and species of intrinsic defects were obtained under different annealing conditions in a controllable manner, which was an ideal platform to identify the complicated defect origins. By employing photoluminescence (PL), excitation-dependent PL, PL excitation (PLE), and Raman spectroscopy, the radiative transitions of visible emission bands at around 401, 490, and 528 nm were unambiguously involved with zinc interstitial-related defect levels as initial states, and the corresponding terminal states were suggested to be valence band, oxygen vacancies, and zinc vacancies, respectively. This study may deepen the fundamental understanding of defect-related emissions and physics in ZnO and benefit potential applications of ZnO hybrid materials in optoelectronics.
Starch utilisation in chicken-meat production: the foremost influential factors
Authors: Truong Ha H. , Liu Sonia Y. , Selle Peter H.
Published: July 2015

Starch is the chief dietary energy source for chicken-meat production, the majority of which is derived from the grain basis of diets for broiler chickens. The utilisation of starch from maize is of a high order in terms of ileal starch digestibility coefficients but this is not necessarily the case with wheat or sorghum. This may stem from the fact that maize essentially lacks the soluble non-starch polysaccharides in wheat and ‘non-tannin’ phenolic compounds found in sorghum. Numerous factors may influence starch digestibility with emphasis placed on starch–protein interactions as starch granules are located in the prolamin protein matrixes of grain endosperm. This close proximity facilitates any physical and chemical interactions and in this connection particular attention has been paid to kafirin, the dominant protein fraction in sorghum. Nevertheless, despite their apparent importance, the precise nature of starch–protein interactions has not been well defined. Exogenous phytases are routinely included in broiler diets primarily to liberate phytate-bound phosphorus; however, phytate may impede starch digestion and may retard glucose absorption. Additional feed additives, including non-starch polysaccharide-degrading enzymes, other exogenous enzymes and reducing agents may have the capacity to influence starch utilisation. Nevertheless, ileal and total tract starch digestibility coefficients are static parameters and overlook the digestive dynamics of starch, which is inappropriate given the possibility that slowly digestible starch enhances energy utilisation and feed conversion efficiency. However, if the slowly digestible starch concept is valid, the underlying mechanisms have not been fully elucidated. Consideration is given to the suggestion that slowly digestible starch ameliorates the catabolism of amino acids to provide energy to the gut mucosa by increasing the provision of glucose to posterior small intestinal segments. There is the prospect that whole grain feeding provides slowly digestible starch in addition to generating heavier relative gizzard weights. The digestive dynamics of starch and protein are inter-related and the digestion of starch and absorption of glucose should not be considered in isolation from protein digestion and amino acid absorption in the quest to improve the performance of broiler chickens. The foremost factor influencing starch utilisation in chicken-meat production may be the interaction between starch and protein digestive dynamics.
A data-driven method for selecting candidate reference sites for stream bioassessment programs using generalised dissimilarity models
Authors: Rose P. M. , Kennard M. J. , Sheldon F. , Moffatt D. B. , Butler G. L.
Published: July 2015

Key issues with defining reference condition for stream bioassessment are (1) equivocal definitions of ‘minimally disturbed’ pressure criteria and wide-ranging approaches to site selection, (2) highly modified regions where near-pristine areas do not exist, leading to management decisions based on inconsistent and unquantified benchmarks and (3) costly field campaigns associated with ‘extensive spatial survey’ approaches. We used generalised dissimilarity modelling (GDM) to classify stream segments into ecotypes, and transparently and efficiently define candidate reference conditions for the Ecosystem Health Monitoring Program (EHMP) assessment area in south-eastern Queensland, a highly modified region with a complex biogeographic history. We modelled fish presence–absence data from 396 sites with GIS-based natural and anthropogenic predictors. Stream segments were classified into ecotypes using the GDM-transformed natural variables so that (1) reference-site selection adequately covered the β-diversity of the study area and (2) we could evaluate the validity of incorporating sites from neighbouring catchments outside of the EHMP assessment area. Relationships between selected anthropogenic variables (the river disturbance index and %stream connectivity) and fish assemblages were used to define pressure criteria and map candidate reference conditions. We conclude by describing a new framework that can be used to select indicator-specific reference sites by GDM and a stratified, probabilistic sampling design.
German science in nineteenth-century Australian libraries
Authors: Kirsop Wallace
Published: July 2015

Between Bligh’s disdain for Robert Townson’s books at the beginning of the century and C.W. Holgate’s 1886 commentary on the collections of the Melbourne Public Library, there is evidence of deficiencies in Australian holdings of materials derived from the German states and from the Austrian Empire. Consideration of private collections, of the roles played by individuals in developing research institutes, learned societies and community libraries and ultimately of the efforts made by university leaders to equip and enhance a culture of scientific investigation leads to the conclusion that the German or Prussian model was beginning to dominate by the turn of the twentieth century.
Myotonic diseases since Asmus Julius Thomas Thomsen (1815–1896) and Peter Emil Becker (1908–2000)
Authors: Bretag Allan H.
Published: July 2015

Julius Thomsen first published his account of myotonia (an unusual muscle stiffness disorder) in himself and his family in 1876. By November 1971, Peter Becker was already famous for his eponymous Becker muscular dystrophy when he came to the Second International Congress on Muscle Diseases, in Perth. There, he presented an extensive study of myotonia, recognising a recessively inherited disease (now known as Becker’s recessive generalised myotonia), distinct from Thomsen’s myotonia congenita and clearly distinguishable from Steinert’s myotonic dystrophy, both dominantly inherited. Peter Becker, Shirley Bryant, Reinhardt Rüdel and Allan Bretag all met in Perth, with mutual interests in myotonia. They subsequently maintained contact while Bretag undertook research in Germany in 1972–1973 and 1977. Later, in 1978, Bretag worked with Bryant’s myotonic goats in Cincinnati. His research on Thomsen’s and Becker’s myotonias has since progressed to confirmation of Bryant’s chloride hypothesis through a molecular genetic study of the muscle chloride channel, CLC -1. This has culminated in several collaborative papers with German colleagues and, finally, in a mechanistic description of how the CLC -1 channel is gated.
Missionaries and their ethnographic instructions
Authors: Veit Walter F.
Published: July 2015

When in the 1880s and 1890s German Lutheran missionaries were sent to Australia from their colleges in Hermannsburg in Lower Saxony and Neuendettelsau in Bavaria to work among the Australian indigenous peoples of the Northern Territory, they had no ethnological education to speak of. This was particularly true for Carl Strehlow who, born in 1871 and educated from 1888 to 1891 at the Lutheran Missionary College in Neuendettelsau, arrived in Adelaide in 1892 and went straight to work with Pastor Reuther among the Diari in Killalpaninna, south of Lake Eyre. From there, in 1894, he was sent to Hermannsburg to resurrect the abandoned Lutheran Mission Station of the Finke River Mission, owned by the South Australian Immanuel Synod. The records of the curriculum in Neuendettelsau show no subjects teaching the theory and practice of ethnology. However, his ethnographic work among the local tribes of the Arrernte and Loritja is today still considered a classic in the field. As a contribution to the history of research methodology in the field of ethnology, I intend to give a brief outline of 1) the early development of scientific research instructions in general, and 2) as a special case, Carl Strehlow’s learning process in form of letters with questions and answers between himself in Hermannsburg and his editors in Frankfurt.
Effects of curing on grassfires: I. Fuel dynamics in a senescing grassland
Authors: Kidnie Susan , Cruz Miguel G. , Gould Jim , Nichols David , Anderson Wendy , Bessell Rachel
Published: July 2015

Grass senescence, or grassland curing, is a dynamic process in which grass fuels transition from a live to dead state and, in turn, influence fire dynamics. In the present study we examined the process of curing with specific consideration of changes in fuel structure that will affect potential fire behaviour. Our sampling protocol expanded the fuel component groups from two (live and dead) to four (green, senescing, new dead and old dead fuel). We found that all these components had significant fuel moisture content differences, thereby justifying our sampling protocol. Visual curing assessment predominantly resulted in an over-prediction bias of curing level and failed to capture the effect of the senescing process on fuel availability to combust due to misclassification of fuel components (e.g. senescing fuels with high fuel moisture content were classified as dead fuels because of their colouration). Models were developed to estimate the: (1) proportion of senescing and green fuels from knowledge of the current year’s dead fuel proportion; and (2) actual curing level from fuel moisture content and soil dryness level.
Effects of curing on grassfires: II. Effect of grass senescence on the rate of fire spread
Authors: Cruz Miguel G. , Gould Jim S. , Kidnie Susan , Bessell Rachel , Nichols David , Slijepcevic Alen
Published: July 2015

The capacity to predict fire dynamics in fuel beds comprised of live and dead fuel components is constrained by our limited understanding of the effects of live fuels on fire propagation. A field-based experimental burning program was conducted to specifically address the effect of the degree of curing, the proportion of dead fuels in the fuel bed, on fire propagation in grasslands. Experimental fires were conducted at two sites characterised by structurally distinct fuels with curing levels varying between 20% and 100%. Fire sustainability experiments showed that fire propagation can occur down to curing levels as low as 20%. Rate of fire spread varied between 41.7 and 102 m min–1 in fully cured fuels and between 2.8 and 43.5 m min–1 in partially cured grasslands. The degree of curing was found to be the best variable describing the damping effect of live fuels in a natural, senescing grassland. Live fuel moisture content by itself was not found to be related to the damping effect of live fuels on the rate of fire spread. Existing models for the effect of grass curing on fire behaviour presently used in Australia were found to under-predict the rate of forward fire spread in partially cured grasslands. A new curing relationship for southern Australian grasslands derived from the study results is proposed.