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.

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.

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.

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.

The Tension Cosmology, Largest Cosmic Structures and Explosions of Supernovae from SST

Here, using the Scale-Symmetric Theory (SST) we explain the cosmological tension and the origin of the largest cosmic structures. We show that a change in value of strong coupling constant for cold baryonic matter leads to the disagreement in the galaxy clustering amplitude, quantified by the parameter S8. Within the same model we described the Hubble tension. We described also the mechanism that transforms the gravitational collapse into an explosion—it concerns the dynamics of virtual fields that lead to dark energy. Our calculations concern the Type Ia supernovae and the core-collapse supernovae. We calculated the quantized masses of the progenitors of supernovae, emitted total energy during explosion, and we calculated how much of the released energy was transferred to neutrinos. Value of the speed of sound in the strongly interacting matter measured at the LHC confirms that presented here model is correct. Our calculations show that the Universe is cyclic.

Multiscale Theories and Applications:From Microstructure Design to Macroscopic Assessment for Carbon Nanotubes Networks

Carbon nanotube(CNT)networks enable CNTs to be used as building blocks for synthesizing novel advanced materials,thus taking full advantage of the superior properties of individual CNTs.Multiscale analyses have to be adopted to study the load transfer mechanisms of CNT networks from the atomic scale to the macroscopic scale due to the huge computational cost.Among them,fully resolved structural features include the graphitic honeycomb lattice(atomic),inter-tube stacking(nano)and assembly(meso)of CNTs.On an atomic scale,the elastic properties,ultimate stresses,and failure strains of individual CNTs with distinct chiralities and radii are obtained under various loading conditions by molecular mechanics.The dependence of the cohesive energies on spacing distances,crossing angles,size and edge effects between two CNTs is analyzed through continuum modeling in nanoscale.The mesoscale models,which neglect the atomic structures of individual CNTs but retain geometrical information about the shape of CNTs and their assembly into a network,have been developed to study the multi-level mechanism of material deformation and microstructural evolution in CNT networks under stretching,from elastic elongation,strengthening to damage and failure.This paper summarizes the multiscale theories mentioned above,which should provide insight into the optimal assembling of CNT network materials for elevated mechanical performance.

Analysis of the Relationship between Mechanical Properties and Pore Structure of MSW Incineration Bottom Ash Fine Aggregate Concrete after Freeze-Thaw Cycles Based on the Gray Theory

The destruction of concrete building materials in severely cold regions of the north is more severely affected by freeze-thaw cycles,and the relationship between the mechanical properties and pore structure of concrete with fine aggregate from municipal solid waste(MSW)incineration bottom ash after freeze-thaw cycles is analyzed under the degree of freeze-thaw hazard variation.In this paper,the gray correlation method is used to calculate the correlation between the relative dynamic elastic modulus,compressive strength,and microscopic porosity parameters to speculate on the most important factors affecting their changes.The GM(1,1)model was established based on the compressive strength of the waste incineration ash aggregate concrete,the relative error between the simulated and actual values in the model was less than 5%,and the accuracy of the model was level 1,indicating that the GM(1,1)model can well reflect the change in the compressive strength of the MSW incineration bottom ash aggregate concrete during freeze-thaw cycles.Using the gray correlation method,the correlation between the relative dynamic elastic modulus,compressive strength,air content,specific surface area,pore spacing coefficient,and pore average chord length was calculated,and the pore spacing coefficient and pore average chord length were determined to be highly correlated with each other.This determination can help analyze and infer the deterioration mechanism of concrete subject to freeze-thaw cycles.These results can provide a theoretical basis for guiding the engineering practice of concrete with fine aggregates of household bottom ash in the northern cold region.

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.

On the Application of Theme-Rheme Theory in College English Writing

Writing is one of the four basic skills students are required to master in foreign language studies,and an important way of language output.However,the teaching of English writing in college is deficient.In the English writings of college students,the lack of structural cohesion and semantic coherence is common.The theme-rheme theory is about discourse cohesion.Proper use of themes and thematic progession patterns qualifies cohesion and clear thoughts of a discourse and the variety of sentence patterns.Therefore,the theme-rheme theory plays an important role in writing teaching.

Investigation of the structural, electronic and mechanical properties of CaO–SiO_(2) compound particles in steel based on density functional theory

CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.

The action mechanisms and structures designs of F-containing functional materials for high performance oxygen electrocatalysis

Non-renewable fossil fuels have led to serious problems such as global warming,environmental pollution,etc.Oxygen electrocatalysis including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)plays a central role in clean energy conversion,enabling a number of sustainable processes for future air battery technologies.Fluorine,as the most electronegative element(4.0)not only can induce more efficient regulation for the electronic structure,but also can bring more abundant defects and other novel effects in materials selection and preparation for favorable catalysis with respect to the other nonmetal elements.However,an individual and comprehensive overview of fluorine-containing functional materials for oxygen electrocatalysis field is still blank.Therefore,it is very meaningful to review the recent progresses of fluorine-containing oxygen electrocatalysts.In this review,we first systematically summarize the controllable preparation methods and their possible development directions based on fluorine-containing materials from four preparation methods.Due to the strong electron-withdrawing properties of fluorine,its control of the electronic structure can effectively enhance the oxygen electrocatalytic activity of the materials.In addition,the catalytic enhancement effect of fluorine on carbonbased materials also includes the prevent oxidation and the layer peeling,and realizes the precise atomic control.And the catalytic improvement mechanism of fluorine containing metal-based compounds also includes the hydration of metal site,the crystal transformation,and the oxygen vacancy induction.Then,based on their various dimensions(0D–3D),we also have summarized the advantages of different morphologies on oxygen electrocatalytic performances.Finally,the prospects and possible future researching direction of F-containing oxygen electrocatalysts are presented(e.g.,novel pathways,advanced methods for measurement and simulation,field assistance and multi-functions).The review is considered valuable and helpful in exploring the novel designs and mechanism analyses of advanced fluorine-containing electrocatalysts.

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.

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.

Predicting novel atomic structure of the lowest-energy Fe_(n)P_(13-n)(n=0-13)clusters:A new parameter for characterizing chemical stability

A series of novel atomic structure of lowest-energy Fe_(n)P_(13-n)(n=0-13)clusters via density functional theory(DFT)calculations and an unbiased structure search using Crystal structure AnaLYsis by Particle Swarm Optimization(CALYPSO)code.Our research results show that the global minimum geometry structure of neutral Fe_(13-n)P_(n)(n=0-6)clusters tend to form cage structures but the lowest-energy Fe_(13-n)P_(n)(n=7-13)clusters are gradually evolution from a cage structure to a chain shape geometric structure.Their geometric structure should responsible for the raise of binding energy from Fe_7P_(6)to P_(13)clusters rather than chemical components.This is completely different from a linear relation of the binding energy with chemical components in our previous research for Cu_(n)Zr_(13-n)(n=3-10)clusters(J.Mol.Liq.343117603(2021)).Hence,in order to characterize the global chemical stability of target cluster,we proposed a new parameter(jyq=η/χ)that the chemical hardness of isolated cluster is used to be divided by its electronegativity.One of the biggest advantages of this parameter is successful coupling the ability of a resistance to redistribution of electrons and the ability to attract electrons from other system(such as atom,molecular or metallic clusters).Moreover,it is found that the P_(13)cluster shows typical insulator characteristics but the Fe_(12)P_(1)shows typical conductor characteristics,which phenomena can be attributed to the remarkable delocalized and localized electrons in Fe_(12)P_(1)and P_(13),respectively.In terms of nearly-free-electron mode,we also found that the number of electrons on Femi level(N(E_F))are obviously tended to toward a lower value when Fe was replaced gradually with P from Fe_(13)to P_(13),and a non-magnetic can be observed in Fe_(13),Fe_(2)P_(11),Fe_(1)P_(12),and P_(13)that mainly because their perfect symmetrical between spin-up and spin-down of density of states of electrons.

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.

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.