A Rhetorical Structure Theory Based Approach to Texture Coherence in Chinese EFL Learners' Argumentative Writing

Based on Rhetorical Structure Theory(RST),this study intends to investigate into the typical features of rhetorical relations in Chinese EFL learners’argumentative writing and their relationship with writing quality.A set of 60 essays(30 with the highest scores and another 30 with the lowest scores)were drawn from SWECCL(Spoken and Written English Corpus of Chinese Learners).These essays were then cut into elementary discourse units and manually annotated with rhetorical relations.Research findings show that there is no significant difference in terms of the total numbers and types of rhetorical relations between the two proficiency groups.However,comparisons of the rhetorical relations both at the intra-paragraph and at the inter-paragraph level indicate statistical differences between the two groups.

Coexistence Theory of Slag Structure and Its Application to Calculation of Oxidizing Capability of Slag Melts

The coexistence theory of slag structure and it's application to calculation of the oxidizing capabilities of slag melts is described. It is shown that the law of mass action can be widely applied to the calculation of oxidizing capabilities of slag melts in combination with the coexistence theory of slag structure.For slag melts containing basic oxides FeO and MnO, their oxidizing capabilities can be expressed by N Fe tO =N FeO +6N Fe 2O 3 , while for slag melts containing basic oxides CaO, MgO, etc., in addition to FeO and MnO, their oxidizing capabilities can be given as N Fe tO =N FeO +6N Fe 2O 3 +8N Fe 3O 4 .

Mobility Analysis of the Deployable Structure of SLE Based on Screw Theory

Scissor-like element has a number of applications in deployable structures such as planar deployable structure (PDS) and ring deployable structure(RDS). However, the mobility analysis of the multi-loop deployable structures is made more difficulty by the traditional mobility formula, because the deployable structure is a very complex structure with multi-loop. Therefore, On the basis of screw theory, the calculation method of mobility of deployable structures of SLE is thoroughly discussed. In order to investigate the mobility, decomposing and composing structures(DCS) are developed, and the basic units are able to be obtained. On the basis of the deployable structures’ geometrical characteristics, there exists a closed-loop quadrilateral structure and some non-closed-loop quadrilateral structures in PDS. Also, a six legs parallel structure is present in RDS. The basic units’ mobility can be solved by both the methods of screw theory and topology constraint graphs. Then, composing the related basic units, the formula of planar deployable structures’ mobility can be built and solves the mobility of ring deployable structure. The analysis method solves the mobility analysis of the multi-loop deployable structures which is difficulty by the traditional method, and plays an important role in further research about the mobility of other complex deployable structures.

STRUCTURE SYNTHESIS OF 4-DOF PARALLEL ROBOT MECHANISMS BASED ON SCREW THEORY

Structural synthesis for 4-DOF parallel manipulators using screw theory issystematically studied. Motion properties and constraint conditions of 4-DOF parallel manipulatorsaccording to the relationship between screw and reciprocal screw are analyzed. Mathematicalexpressions for constraint screws and twist screws of moving platform are constructed, and allpossible limbs, which provide one or more force constraints, are enumerated. Finally, a parallelmanipulator with 3-rotation-DOF and 1-translation-DOF is used as an example to describe thesynthesis procedure for symmetrical and non-symmetrical 4-DOF parallel manipulators.

Electronic structure and optical properties of In-doped SrTiO3 by density function theory

The effect of In doping on the electronic structure and optical properties of SrTiO3 is investigated by the first-principles calculation of plane wave ultra-soft pseudo-potential based on the density function theory （DFT）. The calculated results reveal that due to the hole doping, the Fermi level shifts into valence bands （VBs） for SrTi1-x InxO3 with x = 0.125 and the system exhibits p-type degenerate semiconductor features. It is suggested according to the density of states （DOS） of SrTi0.875In0.125O3 that the band structure of p-type SrTIO3 can be described by a rigid band model. At the same time, the DOS shifts towards high energies and the optical band gap is broadened. The wide band gap, small transition probability and weak absorption due to the low partial density of states （PDOS） of impurity in the Fermi level result in the optical transparency of the film. The optical transmittance of In doped SrTiO3 is higher than 85% in a visible region, and the transmittance improves greatly. And the cut-off wavelength shifts into a blue-light region with the increase of In doping concentration.

Electronic structure and flotability of gold-bearing pyrite:A density functional theory study

Various incorporation of Au in pyrite and its effects on the geometrical structure,electronic structure and flotability of pyrite were theoretically investigated and fully discussed by performing density functional theory(DFT).The calculated incorporation energy shows that gold would most likely exist in pyrite via incorporating into interstitial lattice sites in the absence of As impurity.As a result of incorporated Au,the covalence levels of the S—Fe and S—S bonds are changed,and the tonicity of Au—S bonds and antibonding of Au—Fe bonds are found to form in the pyrite,which would change the natural flotability of pyrite.The Au impurity energy levels are introduced into the energy band and result in the transformation of pyrite semiconductivity type.The calculated band-gap value suggests that the incorporated Au significantly decreases pyrite semiconductivity level,which enhances the formation and the adsorption stability of dixanthogen during pyrite flotation.The DOS results reveal that the stability and depression difficulty level of pyrites increases in the following order:Fe_(32)S_(63)As<Fe_(32)S_(64)<Fe_(32)S_(63)As Au<Fe_(32)S_(64)Au.

Crystal Structure and Density Functional Theory Studies of (p-Methoxyphenyl) Thiosemicarbazide

The title compound [CH3OC6H4NHNHCSNH2] has been characterized by ele- mental analysis, IR, electronic absorption spectra and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group C2/c with a = 25.071(5), b = 5.9292(12), c = 14.938(3) ?, β = 118.40(3)o, Mr = 197.26 (C8H11N3OS), V = 1953.3(7) ?3, Z = 8, Dc = 1.342 g/cm3, F(000) = 832, μ = 0.296 mm-1, R = 0.0647 and wR = 0.1433. In the crystal lattice, there exist some intermolecular hydrogen bonds, π-π stacking interactions and C–H…π supramolecular interactions to stabilize the crystal structure. The density functional theory (DFT) calculations at the B3LYP/6-31G* level, charge distributions and thermodynamic properties at different temperature have been performed, showing the sulfur and nitrogen atoms have bigger negative charges because they are the potential sites reacting with the metallic ions.

Stability of Spatial Structure of Urban Agglomeration in China Based on Central Place Theory

This paper brings forward the concept of stability of the spatial structure of urban agglomeration(UA)based on Central Place Theory by introducing centrality index and fractal theory.Before assessment,K=4 is selected as parameter to calculate centrality index and fractal dimension(K represents the quantitive relationship between city and the counties in Central Place Theory),and then found the number of nodes,the type of spatial structure,the spatial allocation of nodes with different hierarchy affecting the stability of spatial structure.According to spatial contact direction and the level of stability,UAs in China are classified into five types.Finally,it is posed as a further question that how to use hierarchical relation K=6 and K=7 in central place system to coordinate with the assessment of stability of soatial structure is brought forward.

Valence electron structures dependences of structural stability and properties of REX_(3)(RE=rare earth;X=In,Tl)and RE(In,Co)3 alloys

Intermetallic compounds REIn3(RE=rare earth)have attracted much attention due to their unique characteristics:crystal field effect,Kondo effect,superconductivity,heavy fermion,and antiferromagnetism,and their cobalt diluted alloys exhibit the ferromagnetic half-metallic characteristics at room temperature.In this study,an empirical electron theory(EET)is employed to investigate systemically the valence electronic structure,the thermal and magnetic properties of REX_(3) and their cobalt diluted alloys for revealing the mechanism of physical properties.The calculated bond length,melting point,and magnetic moment match the experimental ones very well.The study reveals that structural stability and physical properties of REX_(3) and their cobalt dilute alloys are strongly related to their valence electron structures.It is suggested that the structural stability and cohesive energy depend upon the covalent electron,the melting point is modulated by covalent electron pair,and the magnetic moment is originated from 3d magnetic electron.The ferromagnetic characteristics of Co-diluted REIn3 alloys is originated from the introduction of strong ferromagnetic Co atom,but,a competition is caused between the electron transition from valence electron to magnetic electron on d orbit and its reversal electron transformation with increasing the content of cobalt,which results in the formations of diluted magnetic Gd(In,Co)3 alloy with minor amount of cobalt and strong magnetic Nd(In,Co)3 alloy with doping more Co atoms.

Electronic structures and magnetoelectric properties of tetragonal BaFeO_3:an ab initio density functional theory study

First-principles calculations have been performed to investigate the ground state electronic properties of BaFeO3 （BFO）. Local spin density approximation （LSDA） plus U （LSDA＋U） treatment modified the metallic behaviour to insulated one with a band gap of 4.12eV. The spontaneous polarization was found to be 89.3μC/cm^2 with Berry phase scheme in terms of the modern theory of polarization. Fe-3d eg were split into two singlet states （dz2 and dx2-v2）, and Fe-3d t2g were split into one doublet states（dze and dyz） and one singlet states（dzy） after Fe and O displaced along the c axis. Meanwhile the occupation numbers of dx2, dxz, dyz and OT pz （on the top of Fe） were increased at the expense of those in xy plane. Our results showed that it was the sensitivity of hybridization to ferroelectric distortions, not just the total change of hybridization, that produced the possibility of ferroelectricity. Moreover, the increasing occupation numbers of OT pz and Fe dz2 favoured the 180° coupling between Fe-3d eg and Fe-3d t2g, leading to ferromagnetic ordering, which has been confirmed by the increase of magnetic moment by 0.13μB per formula unit in the polarized direction. Hence, the magnetization can be altered by the reversal of external electric field.

Electronic structure and optical properties of Nb-doped Sr_2TiO_4 by density function theory calculation

This paper investigates the effect of Nb doping on the electronic structure and optical properties of Sr2TiO4 by the first-principles calculation of plane wave ultra-soft pseudo-potential based on density functional theory （DFT）.The calculated results reveal that due to the electron doping,the Fermi level shifts into conduction bands（CBs） for Sr2NbxTi1-xO4 with x=0.125 and the system shows n-type degenerate semiconductor features. Sr2TiO4 exhibits optical anisotropy in its main crystal axes,and the c-axis shows the most suitable crystal growth direction for obtaining a wide transparent region.The optical transmittance is higher than 90% in the visible range for Sr2Nb0.125Ti0.875O4.

Geometries, Electronic Structures, and Electron Detachment Energies of Small Boron Sulfide Anions: A Density Functional Theory Investigation

A density functional theory investigation on the geometries, electronic structures, and electron detachment energies of BS, BS2, B（BS）2 and B（BS）3 has been performed in this work. The linear ground-state structures of BS （C∞v, ^1∑^＋） and BS2^- （O∞h, ^1∑g^＋） prove to be similar to the previously reported BO and BO2 with systematically lower electron detachment energies. Small boron sulfide clusters are found to favor the formation of -B=S groups which function basically as a-radicals and dominate the ground-state structures of the systems. The perfect linear B（BS）2^-（D∞h, ^3∑g） and beautiful equilateral triangle B（BS）3^- （D3h,^2A1”） turn out to be analogous to the well-known C2v BH2 and O3h BH3, respectively. The electron affinities of BS, BS2, B（BS）2 and B（BS）3 are predicted to be 2.3, 3.69, 3.00 and 3.45 eV, respectively. The electron detachment energies calculated for BS^-, BS2^-, B（BS）2^-, and B（BS）3^- may facilitate future photoelectron spectroscopy measurements to characterize the geometrical and electronic structures of these anions.

Conversion between solid and beam element solutions of finite element method based on meta-modeling theory:development and application to a ramp tunnel structure

In this study, a new method for conversion of solid finite element solution to beam finite element solution is developed based on the meta-modeling theory which constructs a model consistent with continuum mechanics. The proposed method is rigorous and efficient compared to a typical conversion method which merely computes surface integration of solid element nodal stresses to obtain cross-sectional forces. The meta-modeling theory ensures the rigorousness of proposed method by defining a proper distance between beam element and solid element solutions in a function space of continuum mechanics. Results of numerical verification test that is conducted with a simple cantilever beam are used to find the proper distance function for this conversion. Time history analysis of the main tunnel structure of a real ramp tunnel is considered as a numerical example for the proposed conversion method. It is shown that cross-sectional forces are readily computed for solid element solution of the main tunnel structure when it is converted to a beam element solution using the proposed method. Further, envelopes of resultant forces which are of primary importance for the purpose of design, are developed for a given ground motion at the end.

A symmetric substructuring method for analyzing the natural frequencies of conical origami structures

Conical origami structures are characterized by their substantial out-of-plane stiffness and energy-absorptioncapacity.Previous investigations have commonly focused on the static characteristics of these lightweight struc-tures.However,the efficient analysis of the natural vibrations of these structures is pivotal for designing conicalorigami structures with programmable stiffness and mass.In this paper,we propose a novel method to analyzethe natural vibrations of such structures by combining a symmetric substructuring method(SSM)and a gener-alized eigenvalue analysis.SSM exploits the inherent symmetry of the structure to decompose it into a finiteset of repetitive substructures.In doing so,we reduce the dimensions of matrices and improve computationalefficiency by adopting the stiffness and mass matrices of the substructures in the generalized eigenvalue analysis.Finite element simulations of pin-jointed models are used to validate the computational results of the proposedapproach.Moreover,the parametric analysis of the structures demonstrates the influences of the number of seg-ments along the circumference and the radius of the cone on the structural mass and natural frequencies of thestructures.Furthermore,we present a comparison between six-fold and four-fold conical origami structures anddiscuss the influence of various geometric parameters on their natural frequencies.This study provides a strategyfor efficiently analyzing the natural vibration of symmetric origami structures and has the potential to contributeto the efficient design and customization of origami metastructures with programmable stiffness.

Typhoon Track,Intensity,and Structure:From Theory to Prediction

To improve understanding of essential aspects that influence forecasting of tropical cyclones(TCs),the National Key Research and Development Program,Ministry of Science and Technology of the People's Republic of China conducted a five-year project titled“Key Dynamic and Thermodynamic Processes and Prediction for the Evolution of Typhoon Intensity and Structure”(KPPT).Through this project,new understandings of TC intensification,including outer rainbanddriven secondary eyewall formation and the roles of boundary layer dynamics and vertical wind shear,and improvements to TC data assimilation with integrated algorithms and adaptive localizations are achieved.To promote a breakthrough in TC intensity and structure forecasting,a new paradigm for TC evolution dynamics(i.e.,the correlations,interactions,and error propagation among the triangle of TC track,intensity,and structure)is proposed;and an era of dynamic-constrained,big-data driven,and strongly coupled data assimilation at the subkilometer scale and seamless prediction is expected.

Optimization of Agricultural Industrial Structure in Changping District of Beijing Based on Grey Relational Analysis

In the economic development of Beijing,although the share of the total amount of agricultural industry in the overall economy is relatively low,it has an important impact on the daily life of residents,social stability and the development of other industries.Changping District,as an important agricultural production base of Beijing,its agricultural development has an indispensable strategic significance for the stability and growth of the entire regional economy.Therefore,it is very important to study the structure of agricultural industry in Changping District.Based on the detailed analysis of the agricultural industrial structure of Changping District,this paper uses the grey relation theory to analyze the different industries in the agricultural industrial structure of Changping District,including planting,forestry,animal husbandry,fishery and agricultural,forestry,service industries,in order to reveal the impact of these industries on the agricultural industrial structure of Changping District.Through this study,it comes up with specific and feasible suggestions for the optimization of agricultural industrial structure in Changping District,and provides valuable reference for the agricultural development of other areas in Beijing.

Structure,electronic,and nonlinear optical properties of superalkaline M_(3)O(M=Li,Na)doped cyclo[18]carbon

Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.

Dual Instinct and Structural Theories: DSM-5-TR

The genetic based Dual Instinct Theory is determined by evolutionary history. Aggression is required for survival and sex for propagation of species. Aggressive and sexual drive derivatives with their corresponding defence mechanisms are combined with biologically based stages of infant/child development and the functional entity of Structural Theory. This model of human nature is the applied to the diagnostic categories of DSM-5-TR. Objectives: To follow the innate Dual Instinct Theory from life to death and through Artificial Intelligence;connect it with biological stages of development of the Structural Theory and illustrate its manifestations in DSM-5-TR classifications. Method: Review of selected published literature. Applying the principle of focus and cognition of informed clinical observation of innate drive derivatives in conjunction with The Structural Theory. Both theories are functional entities with no structures involved. Sigmund Freud’s biologically based stages of development;oral, anal, genital pubic, adult, and geriatric along with a variety of unconscious, automatic, and persistent defense mechanisms are selectively folded into diagnosis listed in the manual.

Tailoring local structures of atomically dispersed copper sites for highly selective CO_(2) electroreduction

Atomically‐dispersed copper sites coordinated with nitrogen‐doped carbon(Cu–N–C)can provide novel possibilities to enable highly selective and active electrochemical CO_(2) reduction reactions.However,the construction of optimal local electronic structures for nitrogen‐coordinated Cu sites(Cu–N_(4))on carbon remains challenging.Here,we synthesized the Cu–N–C catalysts with atomically‐dispersed edge‐hosted Cu–N_(4) sites(Cu–N_(4)C_(8))located in a micropore between two graphitic sheets via a facile method to control the concentration of metal precursor.Edge‐hosted Cu–N_(4)C_(8) catalysts outperformed the previously reported M–N–C catalysts for CO_(2)‐to‐CO conversion,achieving a maximum CO Faradaic efficiency(FECO)of 96%,a CO current density of–8.97 mA cm^(–2) at–0.8 V versus reversible hydrogen electrode(RHE),and over FECO of 90%from–0.6 to–1.0 V versus RHE.Computational studies revealed that the micropore of the graphitic layer in edge‐hosted Cu–N_(4)C_(8) sites causes the d‐orbital energy level of the Cu atom to shift upward,which in return decreases the occupancy of antibonding states in the*COOH binding.This research suggests new insights into tailoring the locally coordinated structure of the electrocatalyst at the atomic scale to achieve highly selective electrocatalytic reactions.

Orbital-Free Density Functional Theory for Molecular Structure Calculations

We give here an overview of the orbital-flee density functional theory that is used for modeling atoms and molecules. We review typical approximations to the kinetic energy, exchange-correlation corrections to the kinetic and Hartree energies, and constructions of the pseudopotentials. We discuss numerical discretizations for the orbital-free methods and include several numerical results for illustrations.