bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular dynamics study of mesophase transitions upon annealing of imidazolium-based ionic liquids with long-alkyl chains
Authors: Peng Hailong , Kubo Momoji , Shiba Hayato
Published: March 2018

The isotropic to mesophase transition upon the long-time annealing of a 1-dodecyl-3-methylimidazolium hexafluorophosphate ionic liquid at different temperatures is illustrated.
Thorium(iv) alkyl and allyl complexes of a rigid NON-donor pincer ligand with flanking 1-adamantyl substituents
Authors: Andreychuk Nicholas R. , Dickie Tara , Emslie David J. H. , Jenkins Hilary A.
Published: March 2018

A rigid new pincer pro-ligand, 4,5-bis(1-adamantylamino)-2,7-di-tert-butyl-9,9-dimethylxanthene, is described, with deprotonation and complexation to afford thorium(iv) chloro, alkyl, and allyl derivatives.
Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)
Authors: Fraser Hector W. L. , Nichol Gary S. , Uhrín Dušan , Nielsen Ulla Gro , Evangelisti Marco , Schnack Jürgen , Brechin Euan K.
Published: March 2018

Heterometallic species with Anderson-like structures are characterised by single-crystal X-ray diffraction, solution- and solid-state NMR spectroscopy, ESI mass spectrometry and SQUID magnetometry.
A 3D-printed flow distributor with uniform flow rate control for multi-stacked microfluidic systems
Authors: Park Young-June , Yu Taejong , Yim Se-Jun , You Donghyun , Kim Dong-Pyo
Published: March 2018

We present a flow distributor which ensures uniform flow distribution among stacked microchannels and its design manual for a scaled-up microfluidic system.
Biochemical and biophysical insights into the metal binding spectrum and bioactivity of arginase ofEntamoeba histolytica
Authors: Malik Anjali , Singh Harvijay , Pareek Akshay , Tomar Shailly
Published: March 2018

First report of the promiscuous nature ofEntamoeba histolyticaarginase for divalent metal ion selectivity.
Graphdiyne: a superior carbon additive to boost the activity of water oxidation catalysts
Authors: Kuang Panyong , Zhu Bicheng , Li Yuliang , Liu Huibiao , Yu Jiaguo , Fan Ke
Published: March 2018

Graphdiyne with a highly π-conjugated structure of sp- and sp2-hybridized carbon networks serves as a superior carbon additive to boost the activity of water oxidation catalysts.
A recognition-gated azobenzene photoswitch
Authors: Ouyang Yu , Yuan Ziyong , Wang Jiaobing
Published: March 2018

Complexation of metal ion controls the photoswitching of a push–pull azobenzene derivative.
A novel thermal exfoliation strategy for the fabrication of high-quality Ag/TiO2 nanosnowman nanoparticles with enhanced photocatalytic properties
Authors: Zhang Chao , Zhou Yuming , Bao Jiehua , Zhang Yiwei , Sheng Xiaoli
Published: March 2018

A novel thermal exfoliation strategy has been proposed to synthesize high-quality Ag/TiO2 head–body nanosnowman nanoparticles (AgTiNPs, with the head and body being single Ag and TiO2 nanoparticles, respectively).
Hollow cube-like CuS derived from Cu2O crystals for the highly efficient elimination of electromagnetic pollution
Authors: Sun Xiaodong , Yuan Xin , Li Xiaopeng , Li Ling , Song Qingfeng , Lv Xuliang , Gu Guangxin , Sui Mingxu
Published: March 2018

In this study, hollow cube-like CuS was fabricated via a one-step reaction to investigate high electromagnetic wave absorption performance.
NIR upconversion characteristics of carbon dots for selective detection of glutathione
Authors: Gogoi Satyabrat , Khan Raju
Published: March 2018

In the current study, we report the near infrared (NIR) upconversion (in the range of 850–950 nm) properties of carbon nanoparticles and their utility as a fluorescence probe for selective and sensitive detection of glutathione (GSH).
Novel functionalized organotellurides with enhanced thiol peroxidase catalytic activity
Authors: Tanini Damiano , Grechi Anna , Ricci Lorenzo , Dei Silvia , Teodori Elisabetta , Capperucci Antonella
Published: March 2018

Novel tellurium-containing small molecules exhibited remarkable GPx-like activity. Their catalytic properties are strongly influenced by the nature of the β-substituent.
MoS2–Au@Pt nanohybrids as a sensing platform for electrochemical nonenzymatic glucose detection
Authors: Su Shao , Lu Zaiwei , Li Jing , Hao Qing , Liu Wei , Zhu Changfeng , Shen Xizhong , Shi Jiye , Wang Lianhui
Published: March 2018

A MoS2–Au@Pt nanohybrid was used as a sensing platform for electrochemical nonenzymatic glucose detection with high sensitivity, selectivity and stability.
A density functional study on the oxygen reduction reaction mechanism on FeN2-doped graphene
Authors: Yang Yuewen , Li Kai , Meng Yanan , Wang Ying , Wu Zhijian
Published: March 2018

The rational design of heteroatom doped graphene as a highly active and non-noble oxygen reduction reaction (ORR) electrocatalyst is significant for the commercial applications of fuel cells.
Synthesis, structural characterization and transformation of an eight-electron superatomic alloy, [Au@Ag19{S2P(OPr)2}12]
Authors: Lin Yan-Ru , Kishore Pilli V. V. N. , Liao Jian-Hong , Kahlal Samia , Liu Yu-Chiao , Chiang Ming-Hsi , Saillard Jean-Yves , Liu C. W.
Published: March 2018

A superatomic alloy nanocluster (NC) [Au@Ag19(dtp)12] from [Ag20(dtp)12] has been synthesized and structurally characterized and its surface reconstruction to Au@Ag20has been demonstrated.
Cross dehydrogenative coupling of sugar enol ethers with terminal alkenes in the synthesis of pseudo-disaccharides, chiral oxadecalins and a conjugated triene
Authors: Hussain Nazar , Babu Tatina Madhu , Mukherjee Debaraj
Published: March 2018

An efficient strategy for the synthesis of C-2 and C-3 branched sugar dienes via cross dehydrogenative coupling of sugar enol ethers with terminal alkenes was developed.
Switching glycosyltransferase UGTBL1 regioselectivity toward polydatin synthesis using a semi-rational design
Authors: Fan Bo , Dong Wenxin , Chen Tianyi , Chu Jianlin , He Bingfang
Published: March 2018

Conduct structure-guided modification on the “hotspot” of glycosyltransferase UGTBL1 to significantly adjust its regioselectivity toward polydatin production.
Probing the mechanism of thermally driven thiol-Michael dynamic covalent chemistry
Authors: Zhang Borui , Chakma Progyateg , Shulman Max P. , Ke Jun , Digby Zachary A. , Konkolewicz Dominik
Published: March 2018

The thermally driven exchange of thiol-Michael adducts is investigated, elucidating the underlying mechanism of this dynamic covalent process.
Establishment of a molecular design to obtain visible-light-activated azoxy polymer actuators
Authors: Chen Yang , Wang Laibing , Pan Xiangqiang , Wu Jin'an , Zhang Wei , Zhang Zhengbiao , Zhu Xiulin
Published: March 2018

Visible-light-activated main-chain and hyperbranched azoxy polymers were prepared directly from bis-/trinitro-functionalized monomers via photochemical reduction.
Palladium-catalyzed intermolecular dearomatic allenylation of hydrocycloalk[b]indoles with 2,3-allenyl carbonates
Authors: Gao Run-Duo , Zhai Yizhan , You Shu-Li , Ma Shengming
Published: March 2018

A palladium-catalyzed allenylation of hydrocycloalk[b]indoles with 2,3-allenyl carbonates provides functionalized allenes containing an indoline.
A sustainable strategy for the synthesis of bis-2-iminothiazolidin-4-ones utilizing novel series of asymmetrically substituted bis-thioureas as viable precursors
Authors: Ahmed Arafa Wael Abdelgayed , Ibrahim Hamada Mohamed
Published: March 2018

A series of bis-thioureas was synthesized as viable precursors for the design of bis-2-iminothiazolidin-4-ones utilizing the ultrasonic irradiation as a sustainable energy source.
Layer-by-layer decoration of MOFs on electrospun nanofibers
Authors: Shangguan Jinhong , Bai Lu , Li Yang , Zhang Tao , Liu Zhicheng , Zhao Guizhe , Liu Yaqing
Published: March 2018

A layer-by-layer method was introduced to fabricate MOF-decorated electrospun nanofibers, which could be used for visual detection of hydrogen peroxide.
Modified halloysite nanotube filled polyimide composites for film capacitors: high dielectric constant, low dielectric loss and excellent heat resistance
Authors: Zhu Tianwen , Qian Chao , Zheng Weiwen , Bei Runxin , Liu Siwei , Chi Zhenguo , Chen Xudong , Zhang Yi , Xu Jiarui
Published: March 2018

Halloysite nanotubes (HNTs) were chosen as the fillers and polyimide (PI) as the matrix to form a series of composites with excellent dielectric properties and thermostabilities.
Liquid nitrogen driven assembly of nanomaterials into spongy millispheres for various applications
Authors: Yao Yimin , Li Yunming , Zeng Xiaoliang , Sun Na , Sun Rong , Xu Jian-Bin , Wong Ching-Ping
Published: March 2018

We report a facile strategy suitable for common nanomaterials, in which ice-templated assembly and liquid nitrogen-assisted rotation are coupled, for fast processing of uniform spongy millispheres. Such spheres possess a hierarchical structure with an interpenetrating network and abundant external voids, exhibiting great potentials in energy & environmental field.
Relative stability of FeS2polymorphs with the random phase approximation approach
Authors: Zhang Min-Ye , Cui Zhi-Hao , Jiang Hong
Published: March 2018

We highlight the role of electron correlation in the correct prediction of the relative stability of FeS2polymorphs by ACFDT-RPA.
Rocksalt-type metal sulfide anodes for high-rate sodium storage
Authors: Jo Chang-Heum , Choi Ji Ung , Myung Seung-Taek
Published: March 2018

Rock-salt type manganese sulfide anode materials for sodium ion batteries can store sodium ions very efficiently.
Facile one-step fabrication of CdS0.12Se0.88 quantum dots with a ZnSe/ZnS-passivation layer for highly efficient quantum dot sensitized solar cells
Authors: Hou Juan , Zhao Haifeng , Huang Fei , Chen Long , Wu Qiang , Liu Zhiyong , Peng Shanglong , Wang Ning , Cao Guozhong
Published: March 2018

QDSCs based on bandgap-tunable alloyed CdS0.12Se0.88 QDs with ZnSe/ZnS passivation were synthesized by a SILAR process with a high PCE of 6.14%.
A universal strategy for thein situsynthesis of TiO2(B) nanosheets on pristine carbon nanomaterials for high-rate lithium storage
Authors: Pan Long , Zhou Zheng-Wei , Liu Yi-Tao , Xie Xu-Ming
Published: March 2018

A universal strategy is proposed for thein situsynthesis of TiO2(B) nanosheets on pristine carbon nanomaterials. Benefiting from a remarkable synergistic effect, the resulting nanohybrids exhibit superior high-rate lithium storage performance. In this sense, our strategy may open the door to next-generation, high-power and high-energy anode materials for lithium-ion batteries.
A rapid and highly sensitive strain-effect graphene-based bio-sensor for the detection of stroke and cancer bio-markers
Authors: Lin Duo , Tseng Chinh-Yu , Lim Qi Feng , Tan Mein Jin , Kong Kien Voon
Published: March 2018

A bio-sensor for the detection of cancer biomarkers utilizing the adsorption properties of ruthenium carbonyl on monolayer graphene.
Novel branched nanostructures based on polyhedral oligomeric silsesquioxanes and azobenzene dyes containing different spacers and isolation groups
Authors: Tkachenko Ihor M. , Kobzar Yaroslav L. , Korolovych Volodymyr F. , Stryutsky Alexandr V. , Matkovska Liubov K. , Shevchenko Valery V. , Tsukruk Vladimir V.
Published: March 2018

Novel branched azobenzene-modified POSS nanostructures have been prepared.
Controllable growth of NixCoySe films and the influence of composition on the photovoltaic performance of quasi-solid-state dye-sensitized solar cells
Authors: Jin Zhitong , Zhao Guanyu , Wang Zhong-Sheng
Published: March 2018

Controllable growth of ternary NixCoySe films and the influence of composition on the photovoltaic performance of quasi-solid-state dye-sensitized solar cells.
A new organic compound of 2-(2,2-diphenylethenyl)anthracene (DPEA) showing simultaneous electrical charge transport property and AIE optical characteristics
Authors: Liu Dan , Li Jie , Liu Jie , Lu Xiuqiang , Hu Mengxiao , Li Yang , Shu Zhibin , Ni Zhenjie , Ding Shang , Jiang Lang , Zhen Yonggang , Zhang Xiaotao , Dong Huanli , Hu Wenping
Published: March 2018

DPEA shows good charge carrier mobility and AIE efficient luminescence.
Small molecule donors based on benzodithiophene and diketopyrrolopyrrole compatible with both fullerene and non-fullerene acceptors
Authors: Huo Yong , Zhu Jingshuai , Wang Xiao-Zhen , Yan Cenqi , Chai Yun-Fei , Chen Zi-Zhen , Zhan Xiaowei , Zhang Hao-Li
Published: March 2018

Two small molecule donors achieved over 5% PCEs when combined with fullerene, non-fullerene or blended acceptors.
Down-regulation of miR-10a-5p promotes proliferation and restricts apoptosis via targeting T-box transcription factor 5 in inflamed synoviocytes
Authors: Hussain Nazim , Zhu Wenhua , Jiang Congshan , Xu Jing , Geng Manman , Wu Xiaoying , Hussain Safdar , Wang Bo , Rajoka Muhammad Shahid Riaz , Li Yue , Tian Juan , Meng Liesu , Lu Shemin
Published: March 2018

Synoviocytes from rheumatoid arthritis (RA) patients share certain features with tumor cells, such as over proliferation and invasion. Anomalous microRNA (miRNA) expression may participate in the pathogenesis of RA in different ways. The objective of the present study was to observe the role of miR-10a-5p targeting T-box transcription factor 5 (TBX5) gene on synoviocyte proliferation and apoptosis in RA. Human synovial sarcoma cell line, SW982 cells stimulating with interleukin-1β (IL-1β) were transfected with miR-10a-5p mimic and siRNA of TBX5. The real-time quantitative polymerase chain reaction (RT-qPCR) and Western blotting analysis were used to evaluate the expression level of miR-10a-5p and TBX5 in SW982 cells respectively. Further, the proliferation and apoptosis of SW982 cells after treatment were determined by cell counting kit (CCK-8) and flow cytometry analysis respectively. We found that the miR-10a-5p showed down-regulated while TBX5 showed up-regulated expression in synoviocytes after stimulation with IL-1β. The miR-10a-5p mimic treatment showed a decline in cell proliferation while the increased rate of cell apoptosis as compared with control. Moreover, knockdown of TBX5 favored the apoptosis and reduced the cell proliferation as compared with control group. We conclude that down-regulation of miR-10a-5p promotes proliferation and restricts apoptosis via targeting TBX5 in inflamed synoviocytes.
Vertically oriented metamaterial broadband linear polariser
Authors: Campione S. , Burckel D.B.
Published: March 2018

Control and manipulation of polarisation is an important topic for imaging and light matter interactions. In the infrared regime, the large wavelengths make wire grid polarisers (WGPs) a viable option, as it is possible to create periodic arrays of metallic wires at that scale. The recent advent of metamaterials has spurred an increase in non‐traditional polariser motifs centred around more complicated repeat units, which potentially provide more functionality. The authors explore the use of 2D arrays of single and back‐to‐back vertically oriented cross dipoles arranged in a cubic in‐plane silicon matrix. They show that both single and back‐to‐back versions have higher rejection ratios and larger bandwidths than either WGPs or 2D arrays of linear dipoles.
Multi‐dimensional long short‐term memory networks for artificial Arabic text recognition in news video
Authors: Zayene Oussama , Touj Sameh Masmoudi , Hennebert Jean , Ingold Rolf , Ben Amara Najoua Essoukri
Published: March 2018

This study presents a novel approach for Arabic video text recognition based on recurrent neural networks. In fact, embedded texts in videos represent a rich source of information for indexing and automatically annotating multimedia documents. However, video text recognition is a non‐trivial task due to many challenges like the variability of text patterns and the complexity of backgrounds. In the case of Arabic, the presence of diacritic marks, the cursive nature of the script and the non‐uniform intra/inter word distances, may introduce many additional challenges. The proposed system presents a segmentation‐free method that relies specifically on a multi‐dimensional long short‐term memory coupled with a connectionist temporal classification layer. It is shown that using an efficient pre‐processing step and a compact representation of Arabic character models brings robust performance and yields a low‐error rate than other recently published methods. The authors’ system is trained and evaluated using the public AcTiV‐R dataset under different evaluation protocols. The obtained results are very interesting. They also outperform current state‐of‐the‐art approaches on the public dataset ALIF in terms of recognition rates at both character and line levels.
Numerical simulation of melt convection in an AC electro‐fused magnesia furnace for MgO production
Authors: Wang Zhen , Wang Ninghui
Published: March 2018

In order to improve understanding the melt convection in an electro‐fused magnesia furnace, a three‐dimensional finite‐element method based model of the furnace is presented. Electromagnetic stirring and buoyancy effects are both considered in three typical cases with different bath sizes. Dimensionless parameters including Reynolds number, Richardson number, and Prandtl number are adopted to characterise the melt convection. The Reynolds number indicates that the convection is fully turbulent in the three cases, and the numerical results reveal that the flow and temperature fields are both significantly influenced by the line current. According to the calculated Richardson number, neither nature nor forced convection is negligible in all cases. The buoyancy becomes more crucial when the bath volume grows and the current decreases, and the magnetic stirring becomes more crucial when the bath volume shrinks and the current increases. The quantitative analysis of the line resistance of the bath indicates that it is more easily influenced by the bath radius than the bath height.
Dynamic circuit model considering core losses and phase interaction for switched reluctance machines
Authors: Yan Wenju , Chen Hao , Wang Kai , Chen Lei
Published: March 2018

This study sets forth an equivalent electric circuit (EEC) model including core losses and phase interactions to obtain a more accurate steady and dynamic performance of the high speed switched reluctance motor (SRM) during the design, analysis, and control of the SRM drive system. The magnetic equivalent circuit (MEC) method is used to calculate the flux linkage and torque quickly and relative accurately. Based on the principle of transformation between the MEC and EEC, the EEC model is derived from the MEC model. To enhance the model precision, the dynamic core losses and phase interactions are analysed and added to the EEC model. The relationship between the phase current and virtual current corresponding to different parts is deduced. Then the simulation model of the whole SRM driver systems is established in MATLAB/Simulink to obtain the phase current and virtual current corresponding to a different portion. The experimental and simulated results of the static MEC model and the whole SRM drive system including the EEC model provide the conclusive evidence for validating their practicability.
Improved algorithm of wide‐area current differential protection based on non‐uniform quantisation
Authors: Li Zhenxing , Deng Jinglei , Gong Yang , Xu Yanchun
Published: March 2018

Current differential protection characterised by whole‐line quick action has now become the main concept in the research of the wide‐area relay protection algorithm. However, strict requirements on broadband and real‐time capability are difficult to meet in actual projects. Aiming at reducing the system traffic while not compromising the protection performance, the study proposes an improved algorithm of wide‐area current differential protection based on non‐uniform quantisation. The algorithm is proposed based on the information theory and in view of the non‐uniform distribution of information redundancy of current signal in different width intervals. Comparing with traditional current differential protections, the improved algorithm is able to retain the sensitivity and reliability of the protection while reducing at least 44% of the system traffic whenever internal or external faults occur. It facilitates the realisation of wide‐area differential protection in practice. Through digital simulation and dynamic simulation, the study demonstrates that the algorithm can distinguish fault places correctly and features a relatively high degree of sensitivity.
Investigating local orientation methods to segment microstructure with 3D solid texture
Authors: Al Darwich Ranya , Babout Laurent
Published: March 2018

This study investigates local orientation‐based approaches to the complex problem of pattern segmentation in three‐dimensional (3D) texture image. The current problem focuses on the extraction of so‐called lamellar colonies in titanium alloy, which, from the materials science and engineering point of view, are microstructural features that play a fundamental role on crack propagation and bifurcation during mechanical loading. Methods based on local orientation estimation extend the notion of using local gradient to reveal variation of semi‐planar pattern orientation in the 3D image. The study introduces a computational approach that accelerates the calculation of the eigenvectors from the local matrices of inertia of all voxels composing the 3D image. Then different paths are proposed to segment colonies or inter‐colony boundaries, i.e. polar orientation map and minimum scalar product map, in order to delimitate regions of similar orientations. The investigated segmentation methods have been compared with other methods that are mainly based on the popular solution of filter banks. Tests, which have been performed on both synthetic and real 3D images, show that the proposed local orientation‐based methods better delineate object boundaries than the counterparts.
Brain MRI segmentation by combining different MRI modalities using Dempster–Shafer theory
Authors: Tavakoli Fattane , Ghasemi Jamal
Published: March 2018

Magnetic resonance imagings (MRIs) have different modalities, including T1‐ and T2‐weighted, PD (proton density), and Flair images. Brain MRI segmentation is a challenge when coping with artefacts such as intensity non‐uniformity, partial volume effects, and noise. As artefacts change the intensity of different part of MRI modalities, describing the intensity of these modalities is highly uncertain. Here, it is proposed that the Dempster–Shafer theory and fuzzy clustering can be combined for brain MRI segmentation because of their robustness. The purpose of this research is to offer a technique based on data fusion of different modalities to segment brain MRIs. T1, T2, PD, and Flair were employed in this study. Fuzzy clustering and specific mapping were used to form the Dempster–Shafer belief structure. In order to evaluate the efficiency of the proposed algorithm, several simulations were performed and the Dice and Jaccard coefficients were used to compare the results with those of other methods. The qualitative and quantitative results of the proposed algorithm verify the success of the proposed algorithm. This method improved 3–4% over that of the previous methods which had showed the best results.
Minimum elastic bounding box algorithm for dimension detection of 3D objects: a case of airline baggage measurement
Authors: Gao Qingji , Yin Deyu , Luo Qijun , Liu Jingbin
Published: March 2018

Motivated by the interference of appendages in airline baggage dimension detection using three‐dimensional (3D) point cloud, a minimum elastic bounding box (MEBB) algorithm for dimension detection of 3D objects is developed. The baggage dimension measurements using traditional bounding box method or shape fitting method can cause large measurements due to the interference of appendages. Starting from the idea of ‘enclosing’, an elastic bounding box model with the deformable surface is established. On the basis of using principal component analysis to obtain the main direction of the bounding box, the elastic rules for deformable surfaces are developed so as to produce a large elastic force when it comes into contact with the main body part and to produce a small elastic force when it comes into contact with the appendages part. The airline baggage measurement shows how to use MEBB for dimension detection, especially for the processing of isotropic density distribution, the elasticity computing and the adaptive adjustment of elasticity. Results on typical baggage samples, comparisons to other methods, and error distribution experiments with different algorithm parameters show that the authors’ method can reliably obtain the size of the main body part of the object under the interference of appendages.
Design of dual‐polarised (RHCP/LHCP) quad‐ridged horn antenna with wideband septum polariser waveguide feed
Authors: Jazani Ghoncheh , Pirhadi Abbas
Published: March 2018

This study was conducted to design a wideband septum polariser as a feeder of the antenna to generate right‐hand circular polarisation (RHCP) and left‐hand circular polarisation (LHCP) concurrently. The proposed septum polariser overcomes the conventional bandwidth limit and covers 40% bandwidth from 8 to 12 GHz. Moreover, a quad‐ridged horn is chosen as a radiator of the feeding network due to its waveguide structure, wide bandwidth, and dual polarisation. Therefore, the proposed structure consists of a quad‐ridged horn fed by a square waveguide, a waveguide transition, and a wideband septum polariser. The final design has an axial ratio <1.5 dB over the X‐band. This configuration can be used as a feed for reflector antennas due to the wideband and dual polarisation characteristics. Furthermore, the structure is highly recommended for high‐power applications because of its waveguide feature.
Step‐up switched‐capacitor module for cascaded MLI topologies
Authors: Saeedian Meysam , Hosseini Seyyed Mehdi , Adabi Jafar
Published: March 2018

This study presents a new module for cascaded multilevel inverters (MLIs) based on switched‐capacitor technique. Charging of the capacitors in the proposed switched‐capacitor cell is performed in a self‐balancing form. Voltage boosting capability and generating bipolar voltage levels without requiring an end‐side H‐bridge inverter are remarkable benefits of the proposed topology. Thereby, semiconductors with lower‐voltage ratings are applied in its circuit. Comparison of the proposed inverter with traditional topologies and other recently introduced MLIs shows that the proposed topology reduces the number of circuit elements and also total blocking voltage by switches. Moreover, the proposed inverter configuration and its operating principle, capacitance, and power loss calculations, and also topology extension to achieve higher levels are investigated in depth. Finally, an experimental prototype is built to verify the theoretical analysis and feasibility of the proposed topology.
Genetic algorithm‐based meta‐heuristic for target coverage problem
Authors: Manju  , Chand Satish , Kumar Bijendra
Published: March 2018

In wireless sensor networks (WSNs), network lifetime and energy consumption are two important parameters which directly impacts each other. In order to enhance the global network lifetime, one should need to utilise the available sensors’ energy in an optimise way. There are several approaches discussed in the literature to maximise the network lifetime for well‐known target coverage problem in WSN. The target coverage problem is presented as a maximum network lifetime problem (MLP) and solved heuristically using various approaches. In this study, the authors propose a genetic algorithm (GA)‐based meta‐heuristic to solve the above said MLP. The GA is a non‐linear optimisation solution method which is proven to be better as compared to the column generation or approximation schemes.
Optical absorption theoretical analysis for thin film crystalline silicon solar cells fabricated on the hexagonal close‐packed dome arrays
Authors: Huang Kun , Han Xingyu , Shi Yunbo , Cao Huiliang , Gao Jinyang , Ma Zongmin , Heng Kim
Published: March 2018

In this work, the low aspect ratio hexagonal close‐packed dome arrays were designed to trap light for c‐Si thin film solar cells. The optical performance of the designed solar cell was theoretically studied via simulation based on the rigorous coupled wave analysis in detail. The result of the simulation showed the model of the solar cell with arrays exhibited absorptivity enhancement in the longer wavelength range. Simultaneously, the integral for the AM 1.5 absorbance spectrum of each model showed that the absorption gains reach up to the highest point of 45.13% in the periodicity of 0.7 μm.
Transthyretin-assoziierte familiäre Amyloidpolyneuropathie
Authors: Niemietz Christoph , Röcken Christoph , Schilling Matthias , Stypman Jörg , Uhlig Constantin , Schmidt Hartmut
Published: March 2018

Transthyretin-related Familial Amyloid Polyneuropathy (ATTR Amyloidosis, former FAP, here called TTR-FAP) is a rare, progressive autosomal dominant inherited amyloid disease ending fatal within 5 – 15 years after final diagnosis. TTR-FAP is caused by mutations of transthyretin (TTR), which forms amyloid fibrils affecting peripheral and autonomic nerves, the heart and other organs. Due to the phenotypic heterogeneity and partly not specific enough clinical symptoms, diagnosis of TTR-FAP can be complicated. False diagnoses can include idiopathic polyneuropathy, chronic inflammatory demyelinating polyneuropathy, diabetic neuropathy as well as paraneoplastic syndrome. Hence, it is assumed that many cases remain unreported. Early and correct diagnosis of TTR-FAP is crucial, since appropriate therapeutic options exist. TTR-FAP should always be differentially diagnosed, when apart from a progressive peripheral polyneuropathy, additional symptoms as autonomic dysfunction, cardiomyopathy, gastrointestinal disorders, unexpected loss of weight, carpal tunnel syndrome, restrictions of renal function, epileptic fits, and corneal and vitreous body clouding occur. Histological evidence of amyloid and successive immunohistochemical evidence of transthyretin as well as genetic testing for transthyretin mutations, lead to an accurate diagnosis.
Family obligations across European borders: negotiating migration decisions within the families of post-accession migrants in Sweden
Authors: Shmulyar Gréen Oksana , Melander Charlotte
Published: March 2018

The negotiation of migration decisions within the families of post-accession mobile workers from Poland and Romania in Sweden is explored through the concept of family obligations. This study departs from Finch’s (1987) and Mason’s (1996) seminal works, which identified a wide range of supportive (and non-supportive) exchanges and negotiated commitments within families and their kin. Drawing on Mason’s (1996) definition of care as both sentient activity and active sensibility, we seek to understand how migrant parents negotiate their migration decisions as an act of care and responsibility, but also as morally imbued obligations in relation to their children. As an analytical tool, the lifeline method (Davies, 1996) is used to capture key moments and events shaping the migration decisions of European workers’ families, which include their motivations to pursue migration, the gendered patterns of care shaping their migration decisions, and moral reasoning over what is the right thing to do in relation to caring for their children. The analysis shows that mobile families’ decisions to migrate are ‘livelihood strategies’ involving complex and dynamic negotiations over the options and resources of entire families and their kin across generations and transnational locations. While reflecting on their decisions over time, both migrant parents express their genuine involvement in caring responsibilities. However, the actual practice shows that caring is still a gendered activity. Finally, the decision to migrate shows that migration itself can be seen as an act of relational and emotional caring involving moral reasoning, feelings and thoughts through which migrant parents negotiate their “good parenthood”.
Theories of quantum dissipation and nonlinear coupling bath descriptors
Authors: Xu Rui-Xue , Liu Yang , Zhang Hou-Dao , Yan YiJing
Published: March 2018

The quest of an exact and nonperturbative treatment of quantum dissipation in nonlinear coupling environments remains in general an intractable task. In this work, we address the key issues toward the solutions to the lowest nonlinear environment, a harmonic bath coupled both linearly and quadratically with an arbitrary system. To determine the bath coupling descriptors, we propose a physical mapping scheme, together with the prescription reference invariance requirement. We then adopt a recently developed dissipaton equation of motion theory [R. X. Xu et al., Chin. J. Chem. Phys. 30, 395 (2017)], with the underlying statistical quasi-particle (“dissipaton”) algebra being extended to the quadratic bath coupling. We report the numerical results on a two-level system dynamics and absorption and emission line shapes.
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy
Authors: Kamath Aditya , Vargas-Hernández Rodrigo A. , Krems Roman V. , Carrington Tucker , Manzhos Sergei
Published: March 2018

For molecules with more than three atoms, it is difficult to fit or interpolate a potential energy surface (PES) from a small number of (usually ab initio) energies at points. Many methods have been proposed in recent decades, each claiming a set of advantages. Unfortunately, there are few comparative studies. In this paper, we compare neural networks (NNs) with Gaussian process (GP) regression. We re-fit an accurate PES of formaldehyde and compare PES errors on the entire point set used to solve the vibrational Schrödinger equation, i.e., the only error that matters in quantum dynamics calculations. We also compare the vibrational spectra computed on the underlying reference PES and the NN and GP potential surfaces. The NN and GP surfaces are constructed with exactly the same points, and the corresponding spectra are computed with the same points and the same basis. The GP fitting error is lower, and the GP spectrum is more accurate. The best NN fits to 625/1250/2500 symmetry unique potential energy points have global PES root mean square errors (RMSEs) of 6.53/2.54/0.86 cm−1, whereas the best GP surfaces have RMSE values of 3.87/1.13/0.62 cm−1, respectively. When fitting 625 symmetry unique points, the error in the first 100 vibrational levels is only 0.06 cm−1 with the best GP fit, whereas the spectrum on the best NN PES has an error of 0.22 cm−1, with respect to the spectrum computed on the reference PES. This error is reduced to about 0.01 cm−1 when fitting 2500 points with either the NN or GP. We also find that the GP surface produces a relatively accurate spectrum when obtained based on as few as 313 points.
Electron series resonance in a magnetized 13.56 MHz symmetric capacitive coupled discharge
Authors: Joshi J. K. , Binwal S. , Karkari S. K. , Kumar Sunil
Published: March 2018

A 13.56 MHz capacitive coupled radio-frequency (RF) argon discharge under transverse magnetic field has been investigated. The discharge is operated in a push-pull mode using a 1:1 isolation transformer with its centre tap grounded to a RF generator. The power delivered to the plasma has been calculated from phase-calibrated RF current/voltage waveforms measured on the secondary side of the isolation transformer. An equivalent electrical circuit of the discharge has been described to determine the net plasma impedance. It is found that in the presence of magnetic field, the discharge impedance exhibits a series resonance as the RF power level is increased gradually. However, in the un-magnetized case, the discharge remains entirely capacitive. A qualitative discussion has been given to explain the role of external magnetic field in achieving the series resonance.
PIC simulation of the vacuum power flow for a 5 terawatt, 5 MV, 1 MA pulsed power system
Authors: Liu Laqun , Zou Wenkang , Liu Dagang , Guo Fan , Wang Huihui , Chen Lin
Published: March 2018

In this paper, a 5 Terawatt, 5 MV, 1 MA pulsed power system based on vacuum magnetic insulation is simulated by the particle-in-cell (PIC) simulation method. The system consists of 50 100-kV linear transformer drive (LTD) cavities in series, using magnetically insulated induction voltage adder (MIVA) technology for pulsed power addition and transmission. The pulsed power formation and the vacuum power flow are simulated when the system works in self-limited flow and load-limited flow. When the pulsed power system isn’t connected to the load, the downstream magnetically insulated transmission line (MITL) works in the self-limited flow, the maximum of output current is 1.14 MA and the amplitude of voltage is 4.63 MV. The ratio of the electron current to the total current is 67.5%, when the output current reached the peak value. When the impedance of the load is 3.0 Ω, the downstream MITL works in the self-limited flow, the maximums of output current and the amplitude of voltage are 1.28 MA and 3.96 MV, and the ratio of the electron current to the total current is 11.7% when the output current reached the peak value. In addition, when the switches are triggered in synchronism with the passage of the pulse power flow, it effectively reduces the rise time of the pulse current.
Anisotropic metamaterial waveguide driven by a cold and relativistic electron beam
Authors: Torabi Mahmoud , Shokri Babak
Published: March 2018

We study the interaction of a cold and relativistic electron beam with a cylindrical waveguide loaded by an anisotropic and dispersive metamaterial layer. The general dispersion relation for the transverse magnetic (TM) mode, through the linear fluid model and Maxwell equations decomposition method, is derived. The effects of some metamaterial parameters on dispersion relation are presented. A qualitative discussion shows the possibility of monomodal propagation band widening and obtaining more control on dispersion relation behavior. Especially for epsilon negative near zero metamaterials, these effects are considerable. Finally, the anisotropy and metamaterial layer thickness impacts on wave growth rate for different metamaterials are considered. The results demonstrate that we can control both wave growth rate and voltage of saturation peak by metamaterial parameters.
First principles study of hydrogen bond symmetrization in δ-AlOOH
Authors: Pillai Sharad Babu , Jha Prafulla K. , Padmalal Akash , Maurya D. M. , Chamyal L. S.
Published: March 2018

The high pressure behaviour of the hydrous mineral δ-AlOOH has been investigated by many experimental and theoretical studies, but the discrepancy in predicting the value of hydrogen symmetrization pressure was not resolved. Here, we investigated the high pressure behaviour of δ-AlOOH using first principles calculations and found that with proper optimization using pressure routine control, local density approximation (LDA) predicts the hydrogen symmetrization pressure as 15 GPa which is in good agreement with the experimentally predicted value which resolves the existing discrepancy and hence proving the validity of LDA in predicting the hydrogen symmetrization pressure. We further studied the compressibility behaviour of δ-AlOOH at low pressures and confirmed the P21nm to Pnnm transition of δ-AlOOH shown by the experimental work [Kuribayashi et al., Phys. Chem. Miner. 41, 303–312 (2014)]. We have also analysed the dependence of elastic constants, elastic moduli, sound velocities, and Raman spectrum of δ-AlOOH with pressure and found that a subtle change in the position of the hydrogen atom at hydrogen symmetrization pressure results into drastic changes in elastic and vibrational properties. Further, this study has been used to discuss the seismic anomalies observed in the upper mantle beneath the Deccan Volcanic Province in India and the Java subduction zone in the eastern flank of the Indian Ocean.
wACSF—Weighted atom-centered symmetry functions as descriptors in machine learning potentials
Authors: Gastegger M. , Schwiedrzik L. , Bittermann M. , Berzsenyi F. , Marquetand P.
Published: March 2018

We introduce weighted atom-centered symmetry functions (wACSFs) as descriptors of a chemical system’s geometry for use in the prediction of chemical properties such as enthalpies or potential energies via machine learning. The wACSFs are based on conventional atom-centered symmetry functions (ACSFs) but overcome the undesirable scaling of the latter with an increasing number of different elements in a chemical system. The performance of these two descriptors is compared using them as inputs in high-dimensional neural network potentials (HDNNPs), employing the molecular structures and associated enthalpies of the 133 855 molecules containing up to five different elements reported in the QM9 database as reference data. A substantially smaller number of wACSFs than ACSFs is needed to obtain a comparable spatial resolution of the molecular structures. At the same time, this smaller set of wACSFs leads to a significantly better generalization performance in the machine learning potential than the large set of conventional ACSFs. Furthermore, we show that the intrinsic parameters of the descriptors can in principle be optimized with a genetic algorithm in a highly automated manner. For the wACSFs employed here, we find however that using a simple empirical parametrization scheme is sufficient in order to obtain HDNNPs with high accuracy.
Perspective: Size selected clusters for catalysis and electrochemistry
Authors: Halder Avik , Curtiss Larry A. , Fortunelli Alessandro , Vajda Stefan
Published: March 2018

Size-selected clusters containing a handful of atoms may possess noble catalytic properties different from nano-sized or bulk catalysts. Size- and composition-selected clusters can also serve as models of the catalytic active site, where an addition or removal of a single atom can have a dramatic effect on their activity and selectivity. In this perspective, we provide an overview of studies performed under both ultra-high vacuum and realistic reaction conditions aimed at the interrogation, characterization, and understanding of the performance of supported size-selected clusters in heterogeneous and electrochemical reactions, which address the effects of cluster size, cluster composition, cluster–support interactions, and reaction conditions, the key parameters for the understanding and control of catalyst functionality. Computational modeling based on density functional theory sampling of local minima and energy barriers or ab initio molecular dynamics simulations is an integral part of this research by providing fundamental understanding of the catalytic processes at the atomic level, as well as by predicting new materials compositions which can be validated in experiments. Finally, we discuss approaches which aim at the scale up of the production of well-defined clusters for use in real world applications.
Ambipolar transport in CVD grown MoSe2 monolayer using an ionic liquid gel gate dielectric
Authors: Ortiz Deliris N. , Ramos Idalia , Pinto Nicholas J. , Zhao Meng-Qiang , Kumar Vinayak , Johnson A. T. Charlie
Published: March 2018

CVD grown MoSe2 monolayers were electrically characterized at room temperature in a field effect transistor (FET) configuration using an ionic liquid (IL) as the gate dielectric. During the growth, instead of using MoO3 powder, ammonium heptamolybdate was used for better Mo control of the source and sodium cholate added for lager MoSe2 growth areas. In addition, a high specific capacitance (∼7 μF/cm2) IL was used as the gate dielectric to significantly reduce the operating voltage. The device exhibited ambipolar charge transport at low voltages with enhanced parameters during n- and p-FET operation. IL gating thins the Schottky barrier at the metal/semiconductor interface permitting efficient charge injection into the channel and reduces the effects of contact resistance on device performance. The large specific capacitance of the IL was also responsible for a much higher induced charge density compared to the standard SiO2 dielectric. The device was successfully tested as an inverter with a gain of ∼2. Using a common metal for contacts simplifies fabrication of this ambipolar device, and the possibility of radiative recombination of holes and electrons could further extend its use in low power optoelectronic applications.
Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure
Authors: Joubert-Doriol Loïc , Izmaylov Artur F.
Published: March 2018

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.
Observation of double-well potential of NaH C 1Σ+ state: Deriving the dissociation energy of its ground state
Authors: Chu Chia-Ching , Huang Hsien-Yu , Whang Thou-Jen , Tsai Chin-Chun
Published: March 2018

Vibrational levels (v = 6–42) of the NaH C 1Σ+ state including the inner and outer wells and the near-dissociation region were observed by pulsed optical-optical double resonance fluorescence depletion spectroscopy. The absolute vibrational quantum number is identified by comparing the vibrational energy difference of this experiment with the ab initio calculations. The outer well with v up to 34 is analyzed using the Dunham expansion and a Rydberg-Klein-Rees (RKR) potential energy curve is constructed. A hybrid double-well potential combined with the RKR potential, the ab initio calculation, and a long-range potential is able to describe the whole NaH C 1Σ+ state including the higher vibrational levels (v = 35–42). The dissociation energy of the NaH C 1Σ+ state is determined to be De(C) = 6595.10 ± 5 cm−1 and then the dissociation energy of the NaH ground state De(X) = 15 807.87 ± 5 cm−1 can be derived.
Hybrid organic/inorganic position-sensitive detectors based on PEDOT:PSS/n-Si
Authors: Javadi Mohammad , Gholami Mahdiyeh , Torbatiyan Hadis , Abdi Yaser
Published: March 2018

Various configurations like p-n junctions, metal-semiconductor Schottky barriers, and metal-oxide-semiconductor structures have been widely used in position-sensitive detectors. In this report, we propose a PEDOT:PSS/n-Si heterojunction as a hybrid organic/inorganic configuration for position-sensitive detectors. The influence of the thickness of the PEDOT:PSS layer, the wavelength of incident light, and the intensity of illumination on the device performance are investigated. The hybrid PSD exhibits very high sensitivity (>100 mV/mm), excellent nonlinearity (<3%), and a response correlation coefficient (>0.995) with a response time of <4 ms to the inhomogeneous IR illumination. The presented hybrid configuration also benefits from a straightforward low-temperature fabrication process. These advantages of the PEDOT:PSS/n-Si heterojunction are very promising for developing a new class of position-sensitive detectors based on the hybrid organic/inorganic junctions.