AN APPLICATION OF TOPOLOGICAL ANALYSIS TO STUDYING THE THREE-DIMENSIONAL FLOW IN CASCADES;PART I—TOPOLOGICAL RULES FOR SKIN-FRICTION LINES AND SECTION STREAMLINES

Based on the working of Lighthill and Hunt et al., in the present paper the author has established the topological rules adapting to analysing the skin-friction lines and the section streamlines in cascades. These rules are (1) for a rotor cascade without shroud band, the total number of nodal points equals that the saddle points on the skin-friction line vector fields in eachpitch range; (2) for an annular or straight cascade with no-clearances at blade ends, the total number of saddle points is two more than that of nodal points on the skin-friction line fields in a pitch; (3) the total number of saddles in the secondary flow fields on cross-sections in cascade is one less than that of nodes; (4) in the section streamline vector fields on a meridian surface penetrating a flow passage, and on leading and trailing edge sections, the total number of nodes is equal to that of saddles; (5) on the streamline vector fields of a blade-to-blade surface, the total number of nodes is one less than that of saddles.

AN APPLICATION OF TOPOLOGICAL METHOD TO ANALYSING THE THREE-DIMENSIONAL FLOW IN CASCADES(Ⅱ)-TOPOLOGICAL ANALYSIS ON THE VECTOR FIELD PATTERNS OF SKINFRICTIONS AND SECTION STREAMLINES

With an application of topological analysis, in this paper the skin-friction line patterns on compressor and turbine cascade surfaces are depicted and the streamline patterns of the secondary flow fields in the cross-section of a curved pipe and a turbine cascade are drawn under given conditions. In addition the structures of vortices within three-dimensional viscous flow fields in cascades are analysed.

Toward a Neurophysiological Measure of Image Quality Perception Based on Algebraic Topology Analysis

The bandwidth of internet connections is still a bottleneck when transmitting large amounts of images,making the image quality assessment essential.Neurophysiological assessment of image quality has highlight advantages for it does not interfere with natural viewing behavior.However,in JPEG compression,the previous study is hard to tell the difference between the electroencephalogram(EEG)evoked by different quality images.In this paper,we propose an EEG analysis approach based on algebraic topology analysis,and the result shows that the difference between Euler characteristics of EEG evoked by different distortion images is striking both in the alpha and beta band.Moreover,we further discuss the relationship between the images and the EEG signals,and the results implied that the algebraic topological properties of images are consistent with that of brain perception,which is possible to give birth to braininspired image compression based on algebraic topological features.In general,an algebraic topologybased approach was proposed in this paper to analyze the perceptual characteristics of image quality,which will be beneficial to provide a reliable score for data compression in the network and improve the network transmission capacity.

Syntheses and Crystal Structures of Two Coordination Polymers Based on a Flexible Ligand N,N'-Diacetic Acid Imidazolium

Two coordination compounds with a flexible ligand N,N？-diacetic acid imidazolium（HDAM）,{[Co（trans-DAM）（bipy）（H2O）2]（OH）·4H2O}n 1 and {[Cd（trans-DAM）（bipy）（H2O）]（NO3）？2H2O}n 2（bipy = 4,4＇-bipyridine）,were prepared and characterized by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic,space group P2/n with a = 7.589（6）,b = 11.444（2）,c = 12.894（3）（A°）,β = 90.99（3）°,V = 1119.8（4）（A°）^3,Z = 4,C8.5H14N2O5.5Co0.5,Mr = 261.68,Dc = 1.552 g/cm^3,F（000） = 546,μ = 0.832 mm^-1,the final R = 0.0657 and wR = 0.1958.Compound 2 crystallizes in the monoclinic C2 space group with a = 17.479（4）,b = 11.689（2）,c = 11.670（2）,β = 117.13（3）°,V = 2121.9（7）3,Z = 4,C17H21N5O10Cd,Mr = 567.79,Dc = 1.777 g/cm^3,F（000） = 1144,μ = 1.096 mm^-1,the final R = 0.0233 and wR = 0.0638.In 1,the Co（II） ions are linked by μ2-trans-DAM-and bipy ligands to build a 2D（4,4） rectangular grid layer,exhibiting a 4-connected sql net.As for 2,μ3-trans-DAM-and bipy bridge Cd（II） ions form a 2D double-layer,consisting of a couple of（4,4） grid layers,which can be viewed as a（3,4）-connected network.In both compounds,the 2D structures are stabilized by hydrogen bonding interactions to give 3D supramolecular frameworks.Additionally,FT-IR spectroscopy,UV-Visible spectroscopy,and the fluorescent properties are discussed.

Theoretical Study on Hydrogen Interaction between 5-Fluorouracil and Glycine

The geometries,electronic structure,IR spectrum and other properties of hydrogen interaction between 5-fluorouracil and glycine were studied at the B3LYP/6-31＋G＊ level.Single point energy calculations were executed at the B3LYP/6-311＋＋G＊＊ and B3LYP/aug-cc-pvdz levels,and natural bond orbital （NBO） analysis was carried out at the B3LYP/6-31＋G＊ level.Finally,the hydrogen bonds were discussed via AIM electronic density topology analysis.

A Method for the Configuration Design of a Space Truss Deployable Mechanism and Its Application

A method based on the metamorphic principle is proposed for the analysis of the configuration design of a space truss deployable mechanism. The configuration change and correspondent topological graphs and adjacency matrixes at different work-stage of the mechanism, which is helpful to completely understand the composition and change rules of the metamorphic mechanism, are analyzed to indicate the metamorphic relationship in one working cycle. Furthermore, the static distance matrix, dynamic distance matrix and stiffness matrix of the mechanism are derived to assess the ability of the designed configuration to reveal some of the topological characteristics like compactness, dynamic sensitivity and stiffness. Using this proposed method in a space truss deployable mechanism helps the designer to evaluate its performance at the conceptual stage of design and make a rapid, reasonable selection for configuration design, which provides means for processing its type of analysis by computer.

Study on the Intramolecular Hydrogen Bonds of Dibenzofurans, Xanthones and Anthraquinones with One or Two Positions Substituted by Hydroxyls

The thermodynamic properties of dibenzofurans （DFs）, xanthones （XTs） and an-thraquinones （AQs） with one and two positions substituted with hydroxyls in the ideal gas state at 298.15 K and 1.013×10^5 pa were calculated at the B3LYP/6-311G^＊ level using Gaussian 03 program. The isodesmic reactions were designed to calculate the standard free energy of formation （△fG^θ）. Three types of hydrogen bonds exist in the three kinds of chemicals and their bond energies were ascertained as 7-15, 15-23 and 49-58 kJ·mo1^-1 respectively by comparing the △fG^θ values. Electronic density topology analysis was applied to validate the strength of bond.

A Combined Shape and Topology Optimization Based on Isogeometric Boundary Element Method for 3D Acoustics

A combined shape and topology optimization algorithm based on isogeometric boundary element method for 3D acoustics is developed in this study.The key treatment involves using adjoint variable method in shape sensitivity analysis with respect to non-uniform rational basis splines control points,and in topology sensitivity analysis with respect to the artificial densities of sound absorption material.OpenMP tool in Fortran code is adopted to improve the efficiency of analysis.To consider the features and efficiencies of the two types of optimization methods,this study adopts a combined iteration scheme for the optimization process to investigate the simultaneous change of geometry shape and distribution of material to achieve better noise control.Numerical examples,such as sound barrier,simple tank,and BeTSSi submarine,are performed to validate the advantage of combined optimization in noise reduction,and to demonstrate the potential of the proposed method for engineering problems.

Topological Data Analysis of Potentiometric Multisensor Measurements in Treated Wastewater

In this study,a multisensor system consisting of 23 potentiometric sensors was applied for long-term online measurements in outlet flow of the water treatment plant.Within 1 month of continuous measurements,the data set of more than 295,000 observations was acquired.The processing of this dataset with conventional chemometric tools was cumbersome and not very informative.Topological data analysis(TDA)was recently suggested in chemometric literature to deal with large spectroscopic datasets.In this research,we explore the opportunities of TDA with respect to multisensor data with only 23 variables.It is shown that TDA allows for convenient data visualization,studying the evolution of water quality during the measurements and tracking the periodical structure in the data related to the water quality depending on the time of the day and the day of the week.TDA appears to be a valuable tool for multisensor data exploration.

Plant multiscale networks:charting plant connectivity by multi-level analysis and imaging techniques

In multicellular and even single-celled organisms,individual components are interconnected at multiscale levels to produce enormously complex biological networks that help these systems maintain homeostasis for development and environmental adaptation.Systems biology studies initially adopted network analysis to explore how relationships between individual components give rise to complex biological processes.Network analysis has been applied to dissect the complex connectivity of mammalian brains across different scales in time and space in The Human Brain Project.In plant science,network analysis has similarly been applied to study the connectivity of plant components at the molecular,subcellular,cellular,organic,and organism levels.Analysis of these multiscale networks contributes to our understanding of how genotype determines phenotype.In this review,we summarized the theoretical framework of plant multiscale networks and introduced studies investigating plant networks by various experimental and computational modalities.We next discussed the currently available analytic methodologies and multi-level imaging techniques used to map multiscale networks in plants.Finally,we highlighted some of the technical challenges and key questions remaining to be addressed in this emerging field.

Structural-acoustic topology optimization analysis based on evolutionary structural optimization approach

The continuum structural-acoustic topology optimization with external loading is investigated herein. Finite element method （FEM） is used to obtain the structural frequency response and boundary element method （BEM） is adopted to perform exterior acoustic radiation analysis. The evolutionary structural optimization （ESO） is served as an optimization method in structural-acoustic radiation topology analysis. The acoustic radiation optimization of a plate under harmonic excitation is given for example. The numerical results show that using ESO solution to analyze structural-acoustic topology optimization is feasible and effective.

Biomolecular Topology:Modelling and Analysis

With the great advancement of experimental tools,a tremendous amount of biomolecular data has been generated and accumulated in various databases.The high dimensionality,structural complexity,the nonlinearity,and entanglements of biomolecular data,ranging from DNA knots,RNA secondary structures,protein folding configurations,chromosomes,DNA origami,molecular assembly,to others at the macromolecular level,pose a severe challenge in their analysis and characterization.In the past few decades,mathematical concepts,models,algorithms,and tools from algebraic topology,combinatorial topology,computational topology,and topological data analysis,have demonstrated great power and begun to play an essential role in tackling the biomolecular data challenge.In this work,we introduce biomolecular topology,which concerns the topological problems and models originated from the biomolecular systems.More specifically,the biomolecular topology encompasses topological structures,properties and relations that are emerged from biomolecular structures,dynamics,interactions,and functions.We discuss the various types of biomolecular topology from structures(of proteins,DNAs,and RNAs),protein folding,and protein assembly.A brief discussion of databanks(and databases),theoretical models,and computational algorithms,is presented.Further,we systematically review related topological models,including graphs,simplicial complexes,persistent homology,persistent Laplacians,de Rham-Hodge theory,Yau-Hausdorff distance,and the topology-based machine learning models.

Operational Risk Assessment for Integrated Transmission and Distribution Networks

To satisfy the requirements of accurate operationalrisk assessment of integrated transmission and distribution networks (I-T&D), an integrated operational risk assessment (IORA) algorithm is proposed. Specific cases demonstrate thatan I-ORA is necessary because it provides accurate handlingof the coupling between transmission and distribution networks,accurate analysis of power supply mode (PSM) changes ofimportant users and helps to improve security and stability ofpower grid operations. Two key technical requirements in theI-ORA algorithm are realized, i.e., integrated topology analysisand integrated power flow calculation. Under a certain contingency, integrated topology analysis is used to assess the risksof substation power cuts, network split and PSM changes ofimportant users, while the integrated power flow calculation,based on the self-adaptive Levenburg-Marquard method andNewton method, can be implemented to assess risks of heavyload/overload and voltage deviation. In addition, the graphicsprocessing unit is used to parallelly process some computationintensive steps. Numerical experiments show that the proposedI-ORA algorithm can realize accurate assessment for the entireI-T&D. In addition, the efficiency and convergence are satisfying,indicating the proposed I-ORA algorithm can significantly benefitreal practice in the coordination operation of I-T&D in the future.

Synchrophasor-based Online State Estimated in Large-scale Power Grid

With integration of a larger amount of clean power sources and power electronic equipment,operation and dynamic characteristics of the power grid are becoming more and more complicated and stochastic.Therefore,it is necessary and urgent to obtain accurate real-time states,which is difficult from traditional state estimation.This paper systematically develops a phasor measurement unit(PMU)based real-time state estimator for a realistic large-scale power grid for the first time.The estimator mainly relies on three refined algorithms,i.e.,an improved linear state estimation algorithm,a practical bad data identification method and a distributed topology check technique.Furthermore,a novel system architecture is designed and implemented for the China Southern Power Grid.Numerical simulations and extensive field operation results of the state estimator recorded under both normal and abnormal situations are presented.All the tests and field results demonstrate the advantages of the proposed algorithms in terms of online system monitoring and feasibility of refreshing the states of the whole system at intervals of tens of milliseconds.

Overcoming a recent impasse in the application of artificial neural networks as solid oxide fuel cells simulator with computational topology

In recent years,the solid oxide fuel cell(SOFC)scientific community has invested continuous efforts to employ artificial intelligence methods to design and develop new energy systems.It is crucial to gain a better understanding of the microscale phenomena that occur in the electrodes.In this review,we present a literature review of the field,discussing the limitations of including microstructural data in existing research and possible research directions to overcome them.This review focuses on a particular research area that uses artificial neural networks(ANNs)to predict the performance of SOFCs.Herein,we show that neural networks are used not only to conform to the newest trends but also for improving the design and providing a better understanding of microscale phenomena that occur in the electrodes.The review concludes by highlighting topological data analysis as a promising area of research that can incorporate detailed microstructure characterization in ANNs for performance prediction.

Hysteresis behaviors of compressor rotating stall with cusp catastrophic model

Rotating stall is a complex nonlinear dynamic phenomenon which is always characterized by catastrophe and hysteresis in high aerodynamic-loading compressor. Exploring the key contributing factors and characteristic rules of hysteresis is very important for compressor design and flow instability control. In this paper, a novel model method is proposed to analyze the hysteresis behaviors to extend the understanding of compressor rotating stall. The equilibrium states of compressor system under different conditions are first described based on Moore-Greitzer model. Then,through assessing the stability of the equilibrium points by Liapunov＇s theorem, the ratio of shutoff head to compressor characteristic semi-height is found to affect the stall hysteresis： the size of hysteresis loop will gradually decrease, even disappear with the increase of the ratio. Combing the effects of both the ratio and throttle coefficient, the hysteresis behaviors of compressor stall under multi-parameters can be found to be consistent with the topological properties of cusp catastrophic model by Thom＇s catastrophe theory. Finally, according to topological invariant rules, from the perspective of potential function, the equilibrium surface equation of compressor system is developed by standard cusp catastrophic model to describe the various hysteresis behaviors of compressor rotating stall along different control routes.

NORMA:The Network Makeup Artist—A Web Tool for Network Annotation Visualization

The Network Makeup Artist(NORMA) is a web tool for interactive network annotation visualization and topological analysis, able to handle multiple networks and annotations simultaneously. Precalculated annotations(e.g., Gene Ontology, Pathway enrichment, community detection,or clustering results) can be uploaded and visualized in a network, either as colored pie-chart nodes or as color-filled areas in a 2D/3D Venn-diagram-like style. In the case where no annotation exists,algorithms for automated community detection are offered. Users can adjust the network views using standard layout algorithms or allow NORMA to slightly modify them for visually better group separation. Once a network view is set, users can interactively select and highlight any group of interest in order to generate publication-ready figures. Briefy, with NORMA, users can encode three types of information simultaneously. These are 1) the network, 2) the communities or annotations of interest, and 3) node categories or expression values. Finally, NORMA offers basic topological analysis and direct topological comparison across any of the selected networks. NORMA service is available at http://norma.pavlopouloslab.info, whereas the code is available at https://github.com/Pavlopoulos Lab/NORMA.

Self-assembly of highly ordered DNA origami lattices at solid-liquid interfaces by controlling cation binding and exchange

The surface-assisted hierarchical self-assembly of DNA origami lattices represents a versatile and straightforward method for the organization of functional nanoscale objects such as proteins and nanoparticles.Here,we demonstrate that controlling the binding and exchange of different monovalent and divalent cation species at the DNA-mica interface enables the self-assembly of highly ordered DNA origami lattices on mica surfaces.The development of lattice quality and order is quantified by a detailed topological analysis of high-speed atomic force microscopy(HS-AFM)images.We find that lattice formation and quality strongly depend on the monovalent cation species.Na^(+)is more effective than Li^(+)and K^(+)in facilitating the assembly of high-quality DNA origami lattices,because it is replacing the divalent cations at their binding sites in the DNA backbone more efficiently.With regard to divalent cations,Ca^(2+)can be displaced more easily from the backbone phosphates than Mg^(2+)and is thus superior in guiding lattice assembly.By independently adjusting incubation time,DNA origami concentration,and cation species,we thus obtain a highly ordered DNA origami lattice with an unprecedented normalized correlation length of 8.2.Beyond the correlation length,we use computer vision algorithms to compute the time course of different topological observables that,overall,demonstrate that replacing MgCl_(2) by CaCl_(2) enables the synthesis of DNA origami lattices with drastically increased lattice order.

Theoretical Study on N-H…O Blue-shifted H-Bond for HNO…H2O2 Complex

A theoretical study on the blue-shifted H-bond N-H…O and red-shifted H-bond O-H…O in the complex HNO…H2O2 was conducted by employment of both standard and counterpoise-corrected methods to calculate the geometric structures and vibrational frequencies at the MP2/6-31G（d）, MP2/6-31 ＋ G（d,p）, MP2/6-311 ＋ ＋ G（d,p）, B3LYP/6-31G（d）, B3LYP/6-31 ＋G（d,p） and B3LYP/6-311 ＋ ＋G（d,p） levels. In the H-bond N-H…O, the calculated blue shift of N-H stretching frequency is in the vicinity of 120 cm^-1 and this is indeed the largest theoretical estimate of a blue shift in the X-H…Y H-bond ever reported in the literature. From the natural bond orbital analysis, the red-shifted H-bond O-H…O can be explained on the basis of the dominant role of the hyperconjugation. For the blue-shifted H-bond N-H…O, the hyperconjugation was inhibited due to the existence of significant electron density redistribution effect, and the large blue shift of the N-H stretching frequency was prominently due to the rehybridization of spn N-H hybrid orbital.

AIM Study on Reaction HNCX→HXCN （X=O, S and Se）

The reactions of HNCO to HOCN, HNCS to HSCN and HNCSe to HSeCN have been studied at MP2/6-311 ＋ ＋ G（2df, pd）//B3LYP/6-311 ＋ ＋G（2df, pd） level. Geometries of the reactants, transition states and products have been optimized and geometries of the transition states are reported for the first time. The reasons why HNCO and HNCS instead of HOCN and HSCN were easily detected have been explained. It was predicted that HNCSe will be more easily detected than HSeCN. The breakage and formation of the chemical bonds in the reactions have been discussed by the topological analysis method of electronic density. The calculated results show that there are two kinds of structure transition states （STS） in reactions studied.