bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Geometry-Preserving Finite Volume Method for Compressible Fluids on Schwarzschild Spacetime
Authors: Le Floch Philippe G. , Makhlof Hasan 
Published: July 2016

AbstractWe consider the relativistic Euler equations governing spherically symmetric, perfect fluid flows on the outer domain of communication of Schwarzschild space-time, and we introduce a version of the finite volume method which is formulated from the geometric formulation (and thus takes the geometry into account at the discretization level) and is well-balanced, in the sense that it preserves steady solutions to the Euler equations on the curved geometry under consideration. In order to formulate our method, we first derive a closed formula describing all steady and spherically symmetric solutions to the Euler equations posed on Schwarzschild spacetime. Second, we describe a geometry-preserving, finite volume method which is based from the family of steady solutions to the Euler system. Our scheme is second-order accurate and, as required, preserves the family of steady solutions at the discrete level. Numerical experiments are presented which demonstrate the efficiency and robustness of the proposed method even for solutions containing shock waves and nonlinear interacting wave patterns. As an application, we investigate the late-time asymptotics of perturbed steady solutions and demonstrate its convergence for late time toward another steady solution, taking the overall effect of the perturbation into account.
Using DelPhi Capabilities to Mimic Protein’s Conformational Reorganization with Amino Acid Specific Dielectric Constants
Authors: Wang Lin , Zhang Zhe , Rocchia Walter , Alexov Emil 
Published: July 2016

AbstractMany molecular events are associated with small or large conformational changes occurring in the corresponding proteins. Modeling such changes is a challenge and requires significant amount of computing time. From point of view of electrostatics, these changes can be viewed as a reorganization of local charges and dipoles in response to the changes of the electrostatic field, if the cause is insertion or deletion of a charged amino acid. Here we report a large scale investigation of modeling the changes of the folding energy due to single mutations involving charged group. This allows the changes of the folding energy to be considered mostly electrostatics in origin and to be calculated with DelPhi assigning residue-specific value of the internal dielectric constant of protein. The predicted energy changes are benchmarked against experimentally measured changes of the folding energy on a set of 257 single mutations. The best fit between experimental values and predicted changes is used to find out the effective value of the internal dielectric constant for each type of amino acid. The predicted folding free energy changes with the optimal, amino acid specific, dielectric constants are within RMSD=0.86 kcal/mol from experimentally measured changes.
High-Order Symplectic Schemes for Stochastic Hamiltonian Systems
Authors: Deng Jian , Anton Cristina , Wong Yau Shu 
Published: July 2016

AbstractThe construction of symplectic numerical schemes for stochastic Hamiltonian systems is studied. An approach based on generating functions method is proposed to generate the stochastic symplectic integration of any desired order. In general the proposed symplectic schemes are fully implicit, and they become computationally expensive for mean square orders greater than two. However, for stochastic Hamiltonian systems preserving Hamiltonian functions, the high-order symplectic methods have simpler forms than the explicit Taylor expansion schemes. A theoretical analysis of the convergence and numerical simulations are reported for several symplectic integrators. The numerical case studies confirm that the symplectic methods are efficient computational tools for long-term simulations.
O que a tragédia à brasileira nos ensina sobre justiça? Orestes, um fragmento fílmico da história construída
Authors: Franco Paula 
Published: July 2016

Resenha da obra:Orestes. Produção 7Estrelo Filmes, direção de Rodrigo Siqueira. Brasil, 2015. 93 min. color.A presente resenha debruça-se sobre a irreverência do documentário brasileiro Orestes do diretor Rodrigo Siqueira. Com expectativa de gravar um filme sobre os resquícios da ditadura, Siqueira inicia a narrativa fílmica a partir da alegórica história da tragédia grega homônima e a relaciona com a história real de Ñsaindy, filha de guerrilheiros mortos durante a ditadura. O fio que rege o roteiro, todavia, não se limita à história do passado (será mesmo que é passado?) da ditadura, mas adentra a seara da discussão sobre justiça e violência como temas que atravessam o tempo na realidade brasileira. Fugindo da compossição clássica documental, trata-se de uma produção que visa refletir profundamente sobre a realidade atual e ousar novas formas e linguagens de contar uma história através do cinema.
Improvement of light extraction for a target wavelength in InGaN/GaN LEDs with an indium tin oxide dual layer by oblique angle deposition
Authors: Seo Dong-Ju , Lee Dong-Seon 
Published: July 2016

Abstract
GaN-based blue LEDs were fabricated and studied with porous, dense, and dual-layer indium tin oxide (ITO) structures as transparent top electrodes to enhance light extraction. The electroluminescence intensity of the LED with a thickness-optimized and refractive-index-tuned ITO dual layer at I = 20 mA was higher by 19.7% than that of the conventional LED with a 200 nm planar ITO. This study confirmed that an ITO dual layer can be made with a single material by optimizing the thickness and tuning the refractive index, which improves the power output without any electrical property degradation.
Effect of an intersection of carbon nanotubes on the carrier accumulation under an external electric field
Authors: Kochi Taketo , Okada Susumu 
Published: July 2016

Abstract
We studied the electronic structure of semiconducting carbon nanotube (CNT) thin films, in which CNTs intersect each other, under an external electric field, using first-principles total-energy calculations within the framework of the density functional theory. Our calculations show that the distribution of accumulated carriers strongly depends on the CNT species, their mutual arrangement with respect to the electrode, and carrier concentrations. Under particular conditions, an induced electric field between the CNTs is opposite to the applied field. We also showed that the quantum capacitance of the CNT thin films depends on the arrangement of the CNTs relative to the electrode.
Temperature dependence of spin Hall magnetoresistance in W/CoFeB bilayer
Authors: Okuno Takaya , Taniguchi Takuya , Kim Sanghoon , Baek Seung-heon Chris , Park Byong-Guk , Moriyama Takahiro , Kim Kab-Jin , Ono Teruo 
Published: July 2016

Abstract
We investigate the temperature dependence of the spin Hall magnetoresistance (SMR) in a W/CoFeB bilayer. The SMR is found to increase with decreasing temperature. An analysis based on the SMR theory suggests that the spin Hall angle of W and/or the spin polarization of CoFeB can be the origin of the temperature dependence of the SMR. We also find that the spin diffusion length and the resistivity of W do not significantly vary with temperature, which indicates the necessity of further study on the electron transport mechanism in W films to reveal the origin of the spin Hall effect in W.
Observation of adsorption behavior of biomolecules on ferroelectric crystal surfaces with polarization domain patterns
Authors: Nakayama Tomoaki , Isobe Akiko , Ogino Toshio 
Published: July 2016

Abstract
Lithium tantalate (LiTaO3) is one of the ferroelectric crystals that exhibit spontaneous polarization domain patterns on its surface. We observed the polarization-dependent adsorption of avidin molecules, which are positively charged in a buffer solution at pH 7.0, on LiTaO3 surfaces caused by electrostatic interaction at an electrostatic double layer using atomic force microscopy (AFM). Avidin adsorption in the buffer solution was confirmed by scratching the substrate surfaces using the AFM cantilever, and the adsorption patterns were found to depend on the avidin concentration. When KCl was added to the buffer solution to weaken the electrostatic double layer interaction between avidin molecules and LiTaO3 surfaces, adsorption domain patterns disappeared. From the comparison between the adsorption and chemically etched domain patterns, it was found that avidin molecule adsorption is enhanced on negatively polarized domains, indicating that surface polarization should be taken into account in observing biomolecule behaviors on ferroelectric crystals.
Dimensional comparison between amplitude-modulation atomic force microscopy and scanning ion conductance microscopy of biological samples
Authors: Kim Joonhui , Choi MyungHoon , Jung Goo-Eun , Ferhan Abdul Rahim , Cho Nam-Joon , Cho Sang-Joon 
Published: July 2016

Abstract
The range of scanning probe microscopy (SPM) applications for atomic force microscopy (AFM) is expanding in the biological sciences field, reflecting an increasing demand for tools that can improve our fundamental understanding of the physics behind biological systems. However, the complexity associated with applying SPM techniques in biomedical research hampers the full exploitation of its capabilities. Recently, the development of scanning ion conductance microscopy (SICM) has overcome these limitations and enabled contact-free, high resolution imaging of live biological specimens. In this work, we demonstrate the limitation of AFM for imaging biological samples in liquid due to artifacts arising from AFM tip–sample interaction, and how SICM imaging is able to overcome those limitations with contact-free scanning. We also demonstrate that SICM measurements, when compared to AFM, show better fit to the actual dimensions of the biological samples. Our results highlight the superiority of SICM imaging, enabling it to be widely adopted as a general and versatile research tool for biological studies in the nanoscale.
Research on Heritage Spanish Phonetics and Phonology: Pedagogical and Curricular Implications
Authors: Rao Rajiv , Kuder Emily 
Published: July 2016

Abstract
This paper creates a novel link between research on linguistics and education by discussing what we know about the sound system of heritage language users of Spanish and how these findings can inform practices implemented in heritage Spanish courses in the USA. First, we provide an overview of terminology associated with heritage language research, situating heritage Spanish programs within the educational context of the USA, and explaining why heritage Spanish phonetics and phonology remain relatively unexplored. Next, we delve into previous linguistic research on the heritage Spanish sound system in terms of individual vowels and consonants, as well as at the level of intonation, rhythm, and stress, while highlighting any observed differences between the system of heritage Spanish and those of Spanish speakers of other backgrounds. Finally, motivated by the phonetic/phonological insight of previous work, in addition to existing pedagogical and curricular research on heritage Spanish, we consider how and why the inclusion of specific types of sound-system-based commentary and practice in the educational experience of heritage users of Spanish could be beneficial.
A three‐dimensional analysis on the role of atmospheric waves in the climatology and interannual variability of stratospheric final warming in the Southern Hemisphere
Authors: Hirano Soichiro , Kohma Masashi , Sato Kaoru 
Published: July 2016

AbstractStratospheric final warming (SFW) in the Southern Hemisphere is examined in terms of their interannual variability and climatology using reanalysis data from January 1979 to March 2014. First, it is shown from a two‐dimensional transformed Eulerian mean (TEM) analysis that a time‐integrated vertical component of Eliassen‐Palm flux during the spring is significantly related with SFW date. To clarify the role of residual mean flow in the interannual variability of the SFW date, SFWs are categorized into early and late groups according to the SFW date and their differences are examined. Significant difference in potential temperature tendency is observed in the middle and lower stratosphere in early October. Their structure in the meridional cross section accords well with that of vertical potential temperature advection by the residual mean flow. Difference in heating rate by shortwave radiation is minor. These results suggest that the adiabatic heating associated with the residual mean flow largely affects polar stratospheric temperature during austral spring and SFW date. The analysis is extended to investigate the longitudinal structure by using a three‐dimensional (3‐D) TEM theory. The significant difference in potential temperature tendency is mainly observed around the Weddell Sea at 10 hPa. Next, climatological 3‐D structure of a vertical component of the residual mean flow in association with SFW is examined in terms of the effect on the troposphere. The results suggest that a downward residual mean flow from the stratosphere penetrates into underlying troposphere over East Antarctica and partly influences tropospheric temperature there.
Persistent longitudinal variations in 8 years of CIPS/AIM polar mesospheric clouds
Authors: Liu Xiao , Yue Jia , Xu Jiyao , Yuan Wei , Russell James M. , Hervig M. E. , Nakamura Takuji 
Published: July 2016

AbstractThe Cloud Imaging and Particle Size (CIPS) instrument on the Aeronomy of Ice in the Mesosphere (AIM) satellite provides an opportunity to study the longitudinal variation in polar mesospheric cloud (PMC). We examined the longitudinal variation in PMC albedo using 8 years (2007–2014) of observations from the CIPS instrument. The results show that the PMC albedo in the Southern Hemisphere (SH), especially in the latitude band of 80°S–85°S, is persistently low (~65% relative to the rest of the hemisphere) within 60°W to 150°W longitude. In the Northern Hemisphere (NH), however, PMC albedo is found to be relatively zonally asymmetry. Harmonic analyses show that the persistent longitudinal variation in the SH PMC albedo is due to zonal wave numbers 1 through 4 (WN1–WN4) processes with minima in the longitude range of 60°W–150°W. The influence of temperature and H2O on the longitudinal variation of the PMC albedo is discussed based on results obtained using a simple 0‐D PMC model and temperature from the Microwave Limb Sounder (MLS) and the Sounding of the Atmosphere with Broadband Emission Radiometry (SABER) and H2O from MLS. The modeled region of low ice mass in the SH is generally consistent with that of low PMC albedo seen in CIPS. Tidal analyses using the SABER temperatures indicate that the nonmigrating semidiurnal tides with modes of S0, W1, and E1 might be the main drivers of the persistent longitudinal variations of PMC albedo in the SH. Nonmigrating tides are much weaker in the NH and consistent with the observed lack of longitudinal variability in PMC albedo.
Integrated surface/subsurface permafrost thermal hydrology: Model formulation and proof‐of‐concept simulations
Authors: Painter Scott L. , Coon Ethan T. , Atchley Adam L. , Berndt Markus , Garimella Rao , Moulton J. David , Svyatskiy Daniil , Wilson Cathy J. 
Published: July 2016

AbstractThe need to understand potential climate impacts and feedbacks in Arctic regions has prompted recent interest in modeling of permafrost dynamics in a warming climate. A new fine‐scale integrated surface/subsurface thermal hydrology modeling capability is described and demonstrated in proof‐of‐concept simulations. The new modeling capability combines a surface energy balance model with recently developed three‐dimensional subsurface thermal hydrology models and new models for nonisothermal surface water flows and snow distribution in the microtopography. Surface water flows are modeled using the diffusion wave equation extended to include energy transport and phase change of ponded water. Variation of snow depth in the microtopography, physically the result of wind scour, is modeled phenomenologically with a diffusion wave equation. The multiple surface and subsurface processes are implemented by leveraging highly parallel community software. Fully integrated thermal hydrology simulations on the tilted open book catchment, an important test case for integrated surface/subsurface flow modeling, are presented. Fine‐scale 100 year projections of the integrated permafrost thermal hydrological system on an ice wedge polygon at Barrow Alaska in a warming climate are also presented. These simulations demonstrate the feasibility of microtopography‐resolving, process‐rich simulations as a tool to help understand possible future evolution of the carbon‐rich Arctic tundra in a warming climate.
A mitigation strategy for commercial aviation impact on NOx‐related O3 change
Authors: Wasiuk D. K. , Khan M. A. H. , Shallcross D. E. , Derwent R. G. , Lowenberg M. H. 
Published: July 2016

AbstractAn operational mitigation strategy for commercial aircraft impact on atmospheric composition, referred to as the turboprop replacement strategy (TRS), is described in this paper. The global air traffic between 2005 and 2011 was modeled with the TRS in which turbofan powered aircraft were replaced with nine chosen turboprop powered aircraft on all routes up to 1700 nautical miles (NM) in range. The results of this TRS double the global number of departures, as well as global mission distance, while global mission time grows by nearly a factor of 3. However, the global mission fuel and the emissions of aviation CO2, H2O, and SOx remain approximately unchanged, and the total global aviation CO, hydrocarbons (HC), and NOx emissions are reduced by 79%, 21%, and 11% on average between 2005 and 2011. The TRS lowers the global mean cruise altitude of flights up to 1700 NM by ~2.7 km which leads to a significant decrease in global mission fuel burn, mission time, distance flown, and the aircraft emissions of CO2, CO, H2O, NOx, SOx, and HC above 9.2 km. The replacement of turbofans with turboprops in regional fleets on a global scale leads to an overall reduction in levels of tropospheric O3 at the current estimated mean cruise altitude near the tropopause where the radiative forcing of O3 is strongest. Further, the replacement strategy results in a reduction of ground‐level aviation CO and NOx emissions by 33 and 29%, respectively, between 2005 and 2011.
Correlation between the spectral features and electric field changes for natural lightning return stroke followed by continuing current with M‐components
Authors: Wang Xuejuan , Yuan Ping , Cen Jianyong , Xue Simin 
Published: July 2016

AbstractAccording to the high time‐resolved spectra of two first and a subsequent return strokes and the following continuing current processes overlapped with M‐components in three natural cloud‐to‐ground lightning, the correlation between the total intensity of ionic lines in the spectra and the corresponding amplitude of electric field change and that between the total intensity of the spectra and the apparent diameter of the discharge channel have been investigated. Linear correlations have been found for the above two sets of parameters. The luminous properties along the channel show that the total intensity of ionic lines in the spectra for both the return stroke and M‐components decreases with increasing height along the channel. The total intensity of the spectra and the apparent diameter for the return stroke also go down with increase of the height, while those for M‐components do the reverse.
A Rechargeable Al/S Battery with an Ionic‐Liquid Electrolyte
Authors: Gao Tao , Li Xiaogang , Wang Xiwen , Hu Junkai , Han Fudong , Fan Xiulin , Suo Liumin , Pearse Alex J , Lee Sang Bok , Rubloff Gary W. , Gaskell Karen J , Noked Malachi , Wang Chunsheng 
Published: July 2016

AbstractAluminum metal is a promising anode material for next generation rechargeable batteries owing to its abundance, potentially dendrite‐free deposition, and high capacity. The rechargeable aluminum/sulfur (Al/S) battery is of great interest owing to its high energy density (1340 Wh kg−1) and low cost. However, Al/S chemistry suffers poor reversibility owing to the difficulty of oxidizing AlSx. Herein, we demonstrate the first reversible Al/S battery in ionic‐liquid electrolyte with an activated carbon cloth/sulfur composite cathode. Electrochemical, spectroscopic, and microscopic results suggest that sulfur undergoes a solid‐state conversion reaction in the electrolyte. Kinetics analysis identifies that the slow solid‐state sulfur conversion reaction causes large voltage hysteresis and limits the energy efficiency of the system.
A Family of Chiral Ferrocenyl Diols: Modular Synthesis, Solid‐State Characterization, and Application in Asymmetric Organocatalysis
Authors: Nottingham Chris , Müller‐Bunz Helge , Guiry Patrick J. 
Published: July 2016

AbstractReadily available chiral diol scaffolds are useful as sources of chirality for asymmetric synthesis, however, few such scaffolds are readily available in enantiopure form. Reported herein is a cheap and modular synthesis of a novel family of chiral ferrocenyl diols in excellent yields with excellent enantio‐ and diastereoselectivity (>99 % ee and 99 % de). These diols possess not only planar and central chirality, but also axial chirality around the central iron atom. Characterization of these diols by X‐ray crystallography revealed intra‐ and intermolecular hydrogen‐bond networks depending on substitution at the carbinol positions. The potential of these diols as catalysts was subsequently demonstrated in an asymmetric hetero‐Diels–Alder reaction which provided cycloadducts in up to 84 % yield with ee values ranging from −92 to +72 %.
Immobilization of lipase from Candida rugosa and its application for the synthesis of biodiesel in a two‐step process
Authors: Xu Ming‐Hong , Kuan I‐Ching , Deng Fu‐Yin , Lee Shiow‐Ling , Kao Wei‐Chen , Yu Chi‐Yang 
Published: July 2016

AbstractLipase from Candida rugosa was immobilized onto polystyrene‐divinylbenzene support for converting waste cooking oil to biodiesel using a two‐step process. The immobilization improved the thermal stability and stability at acidic pH. The adsorbed lipase was applied to the hydrolysis of waste cooking oil to fatty acids, and the effects of temperature, pH, shaking speed and isooctane/waste cooking oil ratio were evaluated using response surface methodology combined with central composite design. The optimal conditions for the lipase‐catalyzed hydrolysis were 35.3 °C, pH 5.5, shaking speed of 222 rpm, and isooctane/waste cooking oil ratio of 0.34; the predicted and experimental conversions were 100 and 99.7%, respectively. The conversion of waste cooking oil to fatty acids remained the same after reuse for seven reaction cycles. The hydrolysis of waste cooking oil was also performed in recycled‐batch mode with a packed‐bed reactor; the maximal conversion of 93% was observed after reaction with 490 mg of immobilized lipase for 2 h. The fatty acids separated were further converted to biodiesel by Amberlyst 15‐catalyzed esterification; 99.9% conversion was obtained after 2 h incubation. © 2016 Curtin University of Technology and John Wiley & Sons, Ltd.