Topology optimization design of the main structure of 6-DOF manipulator based on the variable density method

In order to solve the problems of too large mass,too complex structure and poor flexibility of the 6 DOF manipulator,the topological optimization theory based on variable density method is applied to the 6-DOF manipulator,the topology optimization of the main structural components of the manipulator is carried out with the help of the finite element software ANSYS,and the optimized structure is simplified according to the density distribution of the units and the requirements of manufacturability.the results are compared and analysed by static mechanics.It shows that the whole mass of the 6-DOF manipulator is reduced by 47.23%without changing the original mechanical properties after topological optimization,and the optimized model can meet the requirements of manufacturability,the optimization effect is signifcant,which can be used as a reference for the structure optimization of the 6-DOF manipulator.

High-dimensional uncertainty quantification of projectile motion in the barrel of a truck-mounted howitzer based on probability density evolution method

This paper proposed an efficient research method for high-dimensional uncertainty quantification of projectile motion in the barrel of a truck-mounted howitzer.Firstly,the dynamic model of projectile motion is established considering the flexible deformation of the barrel and the interaction between the projectile and the barrel.Subsequently,the accuracy of the dynamic model is verified based on the external ballistic projectile attitude test platform.Furthermore,the probability density evolution method(PDEM)is developed to high-dimensional uncertainty quantification of projectile motion.The engineering example highlights the results of the proposed method are consistent with the results obtained by the Monte Carlo Simulation(MCS).Finally,the influence of parameter uncertainty on the projectile disturbance at muzzle under different working conditions is analyzed.The results show that the disturbance of the pitch angular,pitch angular velocity and pitch angular of velocity decreases with the increase of launching angle,and the random parameter ranges of both the projectile and coupling model have similar influence on the disturbance of projectile angular motion at muzzle.

New developments in the multiscale hybrid energy density computational method

Further developments in the hybrid multiscale energy density method are proposed on the basis of our previous papers. The key points are as follows. （i） The theoretical method for the determination of the weight parameter in the energy coupling equation of transition region in multiscale model is given via constructing underdetermined equations. （ii） By applying the developed mathematical method, the weight parameters have been given and used to treat some problems in homogeneous charge density systems, which ,＇ire directly related with multiscale science. （iii） A theoretical algorithm has also been presented for treating non-homogeneous systems of charge density. The key to the theoretical computational methods is the decomposition of the electrostatic energy in the total energy of density functional theory for probing the spanning characteristic at atomic scale, layer by layer, by which the choice of chemical elements and the defect complex effect can be understood deeply. （iv） The＇numerical computational program and design have also been presented.

Mapping coalmine goaf using transient electromagnetic method and high density resistivity method in Ordos City, China

The research about subsurface characteristics by using transient electromagnetic method（TEM） and high density resistivity method（HDRM） were already conducted in Ordos. The objective of this research is to detect coalmine goaf areas based on rock resistivity. The data processing using wavelet transform, three point smoothing, RES2 DINV and Maxwell processing software to obtain 2D resistivity structure. The results showed that the layers with maximum resistivity values（30e33 U m on Line 1, 30e31 U m on Line 2, 32e40 U m on Line3） are founded at station 1e7, and 14e20 on Line 1,13e18 on Line 2, and 8e13 and 16e20 on Line 3 which is predicted as goaf layer, and the minimum resistivity values（20e26 U m of TEM, 45e75 U m of HDRM） at the other layers. This resistivity difference was caused by the geology and characteristics of the study area which is located close by the cleugh with rich coal, so the goaf area distinguishable with aquifer layer and coal seam. The results were also significant accidents and serious destruction of ecological environment.

Testing with high density resistivity method in prevention and cure for mine water disaster and its applied effect

The detecting examples using the high density resistivity method, about the evaluation of containing water characteristic from the floor rock and the height of overburden failure, were given. It expresses that the high density resistivity method has good effect with strong maneuverability and continuous observing section during the prevention and cure for mine water disaster. At the same time, the article pointed out that the study of space data inversion and dynamic watching technology about the high density resistivity method must be enhanced in the future because of special condition of data collecting in mine.

Probabilistic Response and Short-Term Extreme Load Estimation of Offshore Monopile Wind Turbine Towers by Probability Density Evolution Method

A new analysis framework based on probability density evolution method(PDEM)and its Chebyshev collocation solution are introduced to predict the dynamic response and short-term extreme load of offshore wind turbine(OWT)towers subjected to random sea state.With regard to the stochastic responses,random function method is employed to generate samples of sea elevation,the probability density evolution equation(PDEE)is solved to calculate time-variant probability density functions of structural responses.For the probabilistic load estimation,a FAST model of NREL 5MW offshore turbine is established to obtain samples of bending moment at the tower base.The equivalent extreme event theory is used to construct a virtual stochastic process(VSP)to assess the short-term extreme load.The results indicate that the proposed approach can predict time-variant probability density functions of the structural responses,and shows good agreement with Monte Carlo simulations.Additionally,the predicted short-term extreme load can capture the fluctuation at the tail of the extreme value distribution,thus is more rational than results from the typical distribution models.Overall,the proposed method shows good adaptation,precision and efficiency for the dynamic response analysis and load estimation of OWT towers.

Effects of Different Density-reducing Methods on Canopy Microenvironment, Tree Growth and Fruit Quality in Closed Apple Orchard

In order to optimize and transform closed mature apple orchards with standard rootstocks and improve the quality of fruit,taking a closed Red Fuji apple orchard as the test object,the effects of different density-reducing methods(deinterlacing,removing every other plant in each row,removing every other plant every other row)on the canopy microenvironment,tree structure,leaf photosynthesis and fruit quality were studied.The results showed that different density-reducing methods significantly reduced the orchard coverage and increased the crown transmittance.Among them,the deinterlacing treatment was the best in improving the population structure of the closed orchard,as it reduced the orchard coverage rate by 55.68 percentage points and the canopy transmittance by 82.38 percentage points,compared with the control(CK).Different density-reducing methods all could significantly reduce the branch amount in the closed orchard and optimized the branch composition.The three density-reducing methods decreased the number of branches per plant by 18.96%,12.41%and 19.58%,respectively,compared with the CK.And compared with the CK,the proportion of short branches and leafy branches to the total branches was increased by 17.13%,14.27%and 7.37%,respectively,and the proportion of long branches and developmental branches to the total branches was decreased by 24.47%,18.04%and 10.79%,respectively.The effects of the different density-reducing methods on the temperature,relative light intensity,SPAD and leaf photosynthetic rate in canopies all followed an order of deinterlacing>removing every other plant in each row>removing every other plant every other row>CK,while those on the relative humidity showed an order of deinterlacing>removing every other plant in each row>removing every other plant every other row>CK,while those on the relative humidity showed an order of deinterlacing<removing every other plant in each row<removing every other plant every other row<CK.The average single fruit weight(238.3 g),coloring index(89.2),smoothness index(83.2),soluble solid content(15.1%)and high quality fruit rate(82.4%)of the deinterlacing treatment were higher than those of other treatments,and the values were 18.2%,11.4%,5.85%,26.9%and 25.2%higher than the CK,respectively.The use of dein￣terlacing to reduce density is the best for improving the microenvironment of closed apple orchards and improving the photosynthetic efficiency and fruit quality.

Simulation Monitoring for Rainfall Infiltration in Soil Based on High Density Electrical Method

Rainfall infiltration is a porous medium flow problem with variable saturation. Based on the theoretical analysis of the flow field, electrical conductivity of rocks, the electrical field, the paper simulates the coupling relationship between the water saturation in soil and the apparent resistivity distribution. It combines the Richards equation, the Archie formula and the Laplace equation. The experiment simulates the potential field data by the Wenner setting in electrical exploration on a two-layer geologic model with continuous rainfall during 5 days, which shows that the effective saturation in soil is increasing with the rainfall time, while the apparent resistivity is decreasing. This can provide a theoretical basis for the analyzing the rainfall infiltration and porosity of the soil by using high-density electrical method in the future.

Application of high density resistivity method in accuracy of goaf detection

Based on the relationship between the diameter and buried depth of goal, the authors establish the forward modeling by Res2dmod and inverse the model by Res2dinv. Thus, three kinds of models are obtained ： the model of single resistivity anomalous body, model of double different distance resistivity anomalous body, and model of layered resistivity anomalous body. Using forward and inversion, the image of detection is simulated, and the reliability is proved by comparing with the engineering examples.

Effect of N-substituents on performance of thiourea collectors by density functional theory calculations

Using density functional methods,some properties were studied such as the energies and compositions of frontier molecular orbitals and the atomic charges,which are related to the reactive behavior of thioureas containing different N-substituent groupings.The calculation results indicate that the N-substituent groupings have significant effect on the flotation performance of thiourea collectors.The order of electron-donating ability is N-propyl-N'-benzyl-thiourea(PBZYTU)>N-propyl-N'-ethyl-thiourea (PETU)>N-propyl-N'-allyl-thiourea(PALTU)>>N-propyl-N'-acetyl-thiourea(PACTU)>N-propyl-N'-ethoxycarbonyl-thiourea (PECTU)>N-propyl-N'-benzoyl-thiourea(PBZOYTU),and the order of feedback-electron-accepting ability is PBZOYTU> PACTU>PECTU>>PALTU>PETU>PBZYTU.This implies that PBZOYTU,PACTU or PECTU can react with copper atoms having(t2g) 6 (eg) 3Cu(II)or t 6e 4Cu(I)configuration on the surfaces of copper sulfide minerals through normal covalent bond and back donation covalent bond,and exhibit excellently collecting performance for copper sulfide minerals.These are consistent with the experimental data reported in the literatures.

Joint probability density function of the stochastic responses of nonlinear structures

The joint probability density fimction （PDF） of different structural responses is a very important topic in the stochastic response analysis of nonlinear structures. In this paper, the probability density evolution method, which is successfully developed to capture the instantaneous PDF of an arbitrary single response of interest, is extended to evaluate the joint PDF of any two responses. A two-dimensional partial differential equation in terms of the joint PDF is established. The strategy of selecting representative points via the number theoretical method and sieved by a hyper-ellipsoid is outlined. A two-dimensional difference scheme is developed. The free vibration of an SDOF system is examined to verify the proposed method, and a flame structure exhibiting hysteresis subjected to stochastic ground motion is investigated. It is pointed out that the correlation of different responses results from the fact that randomness of different responses comes from the same set of basic random parameters involved. In other words, the essence of the probabilistic correlation is a physical correlation.

Density Functional Theory Study on the Adsorption of Dioxygen on Small Pt-Pd Clusters

The electronic and physical properties of PtmPdn （m＋n≤5） metal clusters and their interactions with dioxygen have been studied by using hybrid density functional B3LYP method. The total energies, atomization energies, vibration frequencies, and charge distributions were reported. The Pt-Pt bridge site modified by Pd atoms was found to be the most active site for the dissociation of dioxygen, which was mainly due to the change of electronic structures of the Pt atoms in bimetallic Pt-Pd clusters.

Study on wave energy resource assessing method based on altimeter data——A case study in Northwest Pacific

Wave energy resource is a very important ocean renewable energy. A reliable assessment of wave energy resources must be performed before they can be exploited. Compared with wave model, altimeter can provide more accurate in situ observations for ocean wave which can be as a novel method for wave energy assessment.The advantage of altimeter data is to provide accurate significant wave height observations for wave. In order to develop characteristic and advantage of altimeter data and apply altimeter data to wave energy assessment, in this study, we established an assessing method for wave energy in local sea area which is dedicated to altimeter data.This method includes three parts including data selection and processing, establishment of evaluation indexes system and criterion of regional division. Then a case study of Northwest Pacific was performed to discuss specific application for this method. The results show that assessing method in this paper can assess reserves and temporal and spatial distribution effectively and provide scientific references for the siting of wave power plants and the design of wave energy convertors.

Prediction of Aqueous Solubility for 209 Polychlorinated Diphenyl Ethers from Molecular Structural Parameters by DFT Method

Optimized calculations of 209 polychlorinated diphenyl ethers （PCDEs） and diphenyl ethers were carried out at the B3LYP/6-31G^＊ level with the Gaussian 98 program. Based on the theoretical linear solvation energy relationship （TLSER） model, the obtained structural parameters were taken as theoretical descriptors to establish the novel QSPR model for predicting aqueous solubility （-lgSw） of PCDEs. The model obtained in this work contains two variables： mean molecular polarizability （a） and the most positive partial charge on a hydrogen atom （qH^＋）, of which RE = 0.9606 and SD = 0.32. And the results of cross-validation test also show that the model exhibits optimum stability and better predictive power. Moreover, the predictive power of the new model is better than that of MCIs method.

Numerical simulation of hydraulic fracturing and associated microseismicity using finite-discrete element method

Hydraulic fracturing （HF） technique has been extensively used for the exploitation of unconventional oiland gas reservoirs. HF enhances the connectivity of less permeable oil and gas-bearing rock formationsby fluid injection, which creates an interconnected fracture network and increases the hydrocarbonproduction. Meanwhile, microseismic （MS） monitoring is one of the most effective approaches to evaluatesuch stimulation process. In this paper, the combined finite-discrete element method （FDEM） isadopted to numerically simulate HF and associated MS. Several post-processing tools, includingfrequency-magnitude distribution （b-value）, fractal dimension （D-value）, and seismic events clustering,are utilized to interpret numerical results. A non-parametric clustering algorithm designed specificallyfor FDEM is used to reduce the mesh dependency and extract more realistic seismic information.Simulation results indicated that at the local scale, the HF process tends to propagate following the rockmass discontinuities; while at the reservoir scale, it tends to develop in the direction parallel to themaximum in-situ stress. 2014 Institute of Rock and Soil Mechanics, Chinese Academy of Sciences. Production and hosting byElsevier B.V. All rights reserved.

Geometries, stabilities, and electronic properties of Be-doped gold clusters: a density functional theory study

We have systematically investigated the geometrical structures, relative stabilities and electronic properties of small bimetallic AunBe （n = 1, 2, . .. 8） clusters using a density functional method at BP86 level. The optimized geometries reveal that the impurity beryllium atom dramatically affects the structures of the Aun clusters. The averaged binding energies, fragmentation energies, second-order difference of energies, the highest occupied-lowest unoccupied molecular orbital energy gaps and chemical hardness are investigated, All of them exhibit a pronounced odd-even alternation, manifesting that the clusters with even number of gold atoms possess relatively higher stabilities. Especially, the linear Au2Be cluster is magic cluster with the most stable chemical stability. According to the natural population analysis, it is found that charge-transferring direction between Au atom and Be atom changes at the size of n = 4.

The relativistic density functional investigations on geometries,electronic and magnetic properties of Ir_n (n=1-13) clusters

The Ira （n=1-13） clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira （n=4-13） geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira （n 〉 8） clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.

Regioselectivity Study on Propylene Polymerization Catalyzed by Neutral Salicyladiminato Pd(II) Model Complex with DFT Method

Many attempts have been made to control the regioselectivity for olefin poly- merization by varying the structures of ligands in catalysts. The regioselectivity of propylene polymerization was investigated by replacing a nitrogen atom in the Pd(II) diimine catalyst with an oxygen atom from density functional theory method at the B3LYP/LANL2DZ level. The results show that the 1,2-insertion becomes a rival mechanism to the 2,1-insertion when the nitrogen atom is replaced by the oxygen atom leading to an asymmetric environment in the catalyst, and that the steric effect in the asymmetrical catalyst plays an important part in the polymerization. The insertion barrier from 2-O is much higher than that from 2-N. A pyramid transition state was characterized for the catalyst to convert 2-O back to 2-N through internal rotation. The propylene prefers to coordinate at the opposite side of O in the catalyst. This is the driving force for the internal rotation. The results are significant for isotactic and syndiotactic polymerization.

Time-Dependent Density Matrix Renormalization Group Coupled with n-Mode Representation Potentials for the Excited State Radiationless Decay Rate:Formalism and Application to Azulene

We propose a method for calculating the nonradiative decay rates for polyatomic molecules including anharmonic effects of the potential energy surface(PES)in the Franck-Condon region.The method combines the n-mode repre-sentation method to construct the ab initio PES and the nearly exact time-dependent density matrix renormalization group method(TD-DMRG)to simulate quantum dynamics.In addition,in the framework of TD-DMRG,we further develop an algorithm to calculate the final-state-resolved rate coefficient which is very useful to analyze the contribution from each vibrational mode to the transition process.We use this method to study the internal conversion(IC)process of azulene after taking into account the anharmonicity of the ground state PES.The results show that even for this semi-rigid molecule,the intramode anharmonicity enhances the IC rate significantly,and after considering the two-mode coupling effect,the rate increases even further.The reason is that the anharmonicity enables the C-H vibrations to receive electronic energy while C-H vibrations do not contribute on the harmonic PES as the Huang-Rhys factor is close to 0.

Application of the Magnetic Surface Based PARK-Matrix Method in the HCOOH Laser Interferometry System on HL-2A

A new electron density profile reconstruction procedure based on the PARK-matrix method has been firstly exploited for the multi-chord formic acid（HCOOH, λ=432.5 μm） laser interferometry system on the HL-2A tokamak. According to the geometric coordinates of the magnetic surfaces reconstructed by the CF（current fitting） code and the assumption that the electron density between two adjacent magnetic surfaces is a constant, the local electron density is calculated layer by layer, and the electron density profile n_e（Z） can be determined, as well as the density profile n_e（R）. The simulation result indicates that the error of the PARK-matrix method is acceptable for the four-chord HCOOH laser interferometer. In the applications, it shows that the reconstructed electron density profile agrees well with the microwave reflectometry measurement,and the sawtooth reversion radius is consistent with that deduced from the soft X-ray signals.Meanwhile, the electron density profiles with electron cyclotron resonance heating（ECRH） and supersonic molecular beam injection（SMBI） are also reconstructed and analyzed.