Three-dimensional Holographic Vector of Atomic Interaction Field(3D-HoVAIF) for the QSPR/QSAR of Polychlorinated Naphthalenes

Three-dimensional holographic vector of atomic interaction field（3D-HoVAIF） is used to describe the chemical structures of polychlorinated naphthalenes（PCNs）.After variable screening by stepwise multiple regression（SMR） technique,the liner relationships between gas-chromatographic relative retention time（RRT）,298 K supercooled liquid pressures（logPL）,n-octanol/air partition coefficient（logKOA）,n-octanol/water partition coefficient（logKOW）,aqueous solubilities（logSW）,relative in vitro potency values（-logEROD） of PCNs and 3D-HoVAIF descriptors have been established by partial least-square（PLS） regression.The result shows that the 3D-HoVAIF descriptors can be well used to express the quantitative structure-property（activity） relationships of PCNs.Predictive capability of the models has also been demonstrated by leave-one-out cross-validation.Moreover,the predicted values have been presented for those PCNs which are lack of experimentally physico-chemical properties and biological activity by the optimum models.

QSAR Study on Some N-[5-(2-Furanyl)-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide and 3-Substituted-5-(2-furanyl)-2-methyl-3H-thieno-[2,3-d]pyrimidin-4-ones Using Three-dimensional Holographic Vector of Atomic Interaction Field

Study on the quantitative structure-activity relationship （QSAR） of 26 compounds, N-[5-（2-furanyl）-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide and 3-substituted- 5-（2-furanyl）-2-methyl-3H-thieno[2,3-d]pyrimidin-4-ones, with three-dimensional holographic vector of atomic interaction field （3D-HoVAIF） was carried out. SMR-PLS QSAR models have been created and good correlation coefficients and cross-validated correlation coefficients were obtained. The result shows that the models have good prediction capability and favorable stability and the 3D-HoVAIF is applicable to the molecular structural characterization and biological activity prediction.

Three-Dimensional Vector Field Visualization Based on Tensor Decomposition

This paper presents a visualization method called the deformed cube for visualizing 3D velocity vector field. Based on the decomposition of the tensor which describes the changes of the velocity it provides a teclmique for visualizing local flow. A deformed cube, a cube transformed by a tensor in a local coordinate frame, shows the local stretch, shear and rigid body rotation of the local flow corresponding to the decomposed component of the tensor. Users can interactively view the local deformation or any component of the changes.The animation of the deformed cube moving along a streamline achieves a more global impression of the flow field. This method is intended as a complement to global visualization methods.

Three-dimensional modulations on the states of polarization of light fields

Light fields with spatially structured states of polarization（SoPs） are gathering increasing attention because of their potential applications from optical imaging and micromanipulation to classical and quantum communications. Meanwhile,the concepts within structured light fields have been extended and applied to acoustic, electron, and matter waves. In this article, we review recent developments of the SoP modulation of light fields, especially focusing on three-dimensional（3 D） modulations on the SoPs of light fields. The recent progress and novel implementations based on 3 D spin-dependent separation are discussed. Following the discussions to this physical phenomenon, we then describe recent developments on the vector fields with 3 D structured SoP and intensity distributions, namely, 3 D vector fields. The discussed phenomena inspire us to explore other structured light fields for the expansion of applications in biomedical, information science,quantum optics, and so on.

A solution method for decomposing vector fields in Hamilton energy

Hamilton energy,which reflects the energy variation of systems,is one of the crucial instruments used to analyze the characteristics of dynamical systems.Here we propose a method to deduce Hamilton energy based on the existing systems.This derivation process consists of three steps:step 1,decomposing the vector field;step 2,solving the Hamilton energy function;and step 3,verifying uniqueness.In order to easily choose an appropriate decomposition method,we propose a classification criterion based on the form of system state variables,i.e.,type-I vector fields that can be directly decomposed and type-II vector fields decomposed via exterior differentiation.Moreover,exterior differentiation is used to represent the curl of low-high dimension vector fields in the process of decomposition.Finally,we exemplify the Hamilton energy function of six classical systems and analyze the relationship between Hamilton energy and dynamic behavior.This solution provides a new approach for deducing the Hamilton energy function,especially in high-dimensional systems.

A contrastive study on the influences of radial and three-dimensional satellite gravity gradiometry on the accuracy of the Earth's gravitational field recovery

The accuracy of the Earth＇s gravitational field measured from the gravity field and steady-state ocean circulation explorer（GOCE）,up to 250 degrees,influenced by the radial gravity gradient V zz and three-dimensional gravity gradient V ij from the satellite gravity gradiometry（SGG） are contrastively demonstrated based on the analytical error model and numerical simulation,respectively.Firstly,the new analytical error model of the cumulative geoid height,influenced by the radial gravity gradient V zz and three-dimensional gravity gradient V ij are established,respectively.In 250 degrees,the GOCE cumulative geoid height error measured by the radial gravity gradient V zz is about 2 1/2 times higher than that measured by the three-dimensional gravity gradient V ij.Secondly,the Earth＇s gravitational field from GOCE completely up to 250 degrees is recovered using the radial gravity gradient V zz and three-dimensional gravity gradient V ij by numerical simulation,respectively.The study results show that when the measurement error of the gravity gradient is 3×10 12 /s 2,the cumulative geoid height errors using the radial gravity gradient V zz and three-dimensional gravity gradient V ij are 12.319 cm and 9.295 cm at 250 degrees,respectively.The accuracy of the cumulative geoid height using the three-dimensional gravity gradient V ij is improved by 30%-40% on average compared with that using the radial gravity gradient V zz in 250 degrees.Finally,by mutual verification of the analytical error model and numerical simulation,the orders of magnitude from the accuracies of the Earth＇s gravitational field recovery make no substantial differences based on the radial and three-dimensional gravity gradients,respectively.Therefore,it is feasible to develop in advance a radial cold-atom interferometric gradiometer with a measurement accuracy of 10 13 /s 2-10 15 /s 2 for precisely producing the next-generation GOCE Follow-On Earth gravity field model with a high spatial resolution.

Vector magnetometry in zero bias magnetic field using nitrogen-vacancy ensembles

The application of the vector magnetometry based on nitrogen-vacancy(NV)ensembles has been widely investigatedin multiple areas.It has the superiority of high sensitivity and high stability in ambient conditions with microscale spatialresolution.However,a bias magnetic field is necessary to fully separate the resonance lines of optically detected magneticresonance(ODMR)spectrum of NV ensembles.This brings disturbances in samples being detected and limits the rangeof application.Here,we demonstrate a method of vector magnetometry in zero bias magnetic field using NV ensembles.By utilizing the anisotropy property of fluorescence excited from NV centers,we analyzed the ODMR spectrum of NVensembles under various polarized angles of excitation laser in zero bias magnetic field with a quantitative numerical modeland reconstructed the magnetic field vector.The minimum magnetic field modulus that can be resolved accurately is downto~0.64 G theoretically depending on the ODMR spectral line width(1.8 MHz),and~2 G experimentally due to noisesin fluorescence signals and errors in calibration.By using 13C purified and low nitrogen concentration diamond combinedwith improving calibration of unknown parameters,the ODMR spectral line width can be further decreased below 0.5 MHz,corresponding to~0.18 G minimum resolvable magnetic field modulus.

Theory,technology and practice of shale gas three-dimensional development:A case study of Fuling shale gas field in Sichuan Basin,SW China

In the Jiaoshiba block of the Fuling shale gas field,the employed reserves and recovery factor by primary well pattern are low,no obvious barrier is found in the development layer series,and layered development is difficult.Based on the understanding of the main factors controlling shale gas enrichment and high production,the theory and technology of shale gas three-dimensional development,such as fine description and modeling of shale gas reservoir,optimization of three-dimensional development strategy,highly efficient drilling with dense well pattern,precision fracturing and real-time control,are discussed.Three-dimensional development refers to the application of optimal and fast drilling and volume fracturing technologies,depending upon the sedimentary characteristics,reservoir characteristics and sweet spot distribution of shale gas,to form"artificial gas reservoir"in a multidimensional space,so as to maximize the employed reserves,recovery factor and yield rate of shale gas development.In the research on shale gas three-dimensional development,the geological+engineering sweet spot description is fundamental,the collaborative optimization of natural fractures and artificial fractures is critical,and the improvement of speed and efficiency in drilling and fracturing engineering is the guarantee.Through the implementation of three-dimensional development,the overall recovery factor in the Jiaoshiba block has increased from 12.6%to 23.3%,providing an important support for the continuous and stable production of the Fuling shale gas field.

EXPERIMENTAL INVESTIGATION FOR THE EFFECT OF ROTATION ON THREE-DIMENSIONAL FLOW FIELD IN FILM-COOLED TURBINE

An experimental investigation of three-dimensional flow field in a film-cooled turbine model is carried out by using particle image velocimeter （PIV） in a low-speed wind tunnel. The effects of different blowing ratios （M=1.5, 2） on the flow field are studied. The experimental results reveal the classical phenomena of the formation of kidney vortex pair and secondary flow in wake region behind the jet hole. And the changes of the kidney vortex pair and the wake at different locations away from the hole on the suction and pressure sides are also studied. Compared with the flow field in stationary cascade, there are centrifugal force and Coriolis force existing in the flow field of rotating turbine, and these forces bring the radial velocity in the jet flow. The effect of rotatien on the flow field of the pressure side is more distinct than that on the suction side from the measured flow fields in Y-Z plane and radial velocity contours. The increase of blowing ratio makes the kidney vortex pair and the secondary flow in the wake region stronger and makes the range of the wake region enlarged.

Study of the geomagnetic field's regional gradients in Chinese continent using three-dimensional surface Spline model

We combined domestic ground-based and satellite magnetic measurements to create a regional three-dimensional surface Spline(3DSS)gradient model of the main geomagnetic field over the Chinese continent.To improve the precision of the model,we considered the data gap between the ground and satellite data.We compared and analyzed the results of the Taylor polynomial,surface Spline,and CHAOS-6(the CHAMP,?rsted and SAC-C model of Earth’s magnetic field)gradient models.Results showed that the gradients in the south-north and east-west directions of the four models were consistent.The 3DSS model was able to express not only gradients at different altitudes,but also average gradients inside the research area.The two Spline models were able to capture more information on gradient anomalies than were the fitted models.Strong local anomalies were observed in northern Xinjiang,Beijing,and the junction area between Jiangsu and Zhejiang,and the total intensity F decreased whereas the altitude increased.The gradient decreased by 21.69%in the south-north direction and increased by 11.78%in the east-west direction.In addition,the altitude gradient turned from negative to positive while the altitude increased.The Spline model and the two fitted models differed mainly in the field sources they expressed and the modeling theory.

Three-Dimensional Stress Fields in Finite Thickness Plate with Hole Under Shear Load

The theoretical solutions are obtained for the three-dimensional(3-D)stress field in an infinite isotropic elastic plate with a through-the-thickness circular hole subjected to shear load at far field by using Kane and Mindlin′s assumption based on the stress function method.Based on the present solutions,the characteristics of 3-D stress field are analyzed and the emphasis is placed on the effects of the plate thickness and Poisson′s ratio on the deviation of the present 3-D in-plane stress from the related plane stress solutions,the stress concentration and the out-of-plane constraint.The present solutions show that the stress concentration factor reaches its peak value of about 8.9% which is higher than that of the plane stress solutions.As expected,the out-of-plane stress constraint factor can reach 1on the surface of the hole when the plate is a very thick one.

Controlling Three-Dimensional Electron-Electron Correlation via Elliptically Polarized Intense Laser Field

The three-dimensional electron-electron correlation in an elliptically polarized laser field is investigated based on a semiclassical model. Asymmetry parameter α of the correlated electron momentum distribution is used to quantitatively describe the electron-electron correlation. The dependence of α on elliptieity e is totally different in three directions. For the z direction （maJor polarization direction）, α first increases and reaches a maximum at ε = 0.275, then it decreases quickly. For the y direction in which the laser field is always absent, the ellipticity has a minor effect, and the asymmetry parameter fluctuates around α = -0.15. However, for the x direction （minor polarization direction）, α increases monotonously with ellipticity though starts from the same value as in the y direction when ε = 0. The behavior of α in the x direction actually indicates a transformation from the Coulomb interaction dominated correlation to the laser field dominated correlation. Therefore, our work provides an efficient way to control the three-dimensional electron electron correlation via an elliptically polarized intense laser field.

Three-dimensional stochastic seepage field for embankment engineering

Owing to the complexity of geo-engineering seepage problems influenced by different random factors, three-dimensional simulation and analysis of the stochastic seepage field plays an important role in engineering applications. A three-dimensional anisotropic heterogeneous steady random seepage model was developed on the basis of the finite element method. A statistical analysis of the distribution characteristics of soil parameters sampled from the main embankment of the Yangtze River in the Southern Jingzhou zone of China was conducted. The Kolomogorov-Smirnov test verified the statistical hypothesis that the permeability coefficient tensor has a Gaussian distribution. With the help of numerical analysis of the stochastic seepage field using the developed model, various statistical and random characteristics of the stochastic seepage field of the main embankment of the Yangtze River in the Southern Jingzhou zone of China were investigated. The model was also examined with statistical testing. Through the introduction of random variation of the upstream and downstream water levels into the model, the effects of the boundary randomness due to variation of the downstream and upstream water levels on the variation of simulated results presented with a vector series of the random seepage field were analyzed. Furthermore, the combined influence of the variation of the soil permeability coefficient and such seepage resistance measures as the cut-off wall and relief ditch on the hydraulic head distribution was analyzed and compared with the results obtained by determinate analysis. Meanwhile, sensitivities of the hydraulic gradient and downstream exit height to the variation of boundary water level were studied. The validity of the simulated results was verified by stochastic testing and measured data. The developed model provides more detail and a full stochastic algorithm to characterize and analyze three-dimensional stochastic seepage field problems.

Automated measurement of three-dimensional cerebral cortical thickness in Alzheimer’s patients using localized gradient vector trajectory in fuzzy membership maps

Our purpose in this study was to develop an automated method for measuring three-dimensional (3D) cerebral cortical thicknesses in patients with Alzheimer’s disease (AD) using magnetic resonance (MR) images. Our proposed method consists of mainly three steps. First, a brain parenchymal region was segmented based on brain model matching. Second, a 3D fuzzy membership map for a cerebral cortical region was created by applying a fuzzy c-means (FCM) clustering algorithm to T1-weighted MR images. Third, cerebral cortical thickness was three- dimensionally measured on each cortical surface voxel by using a localized gradient vector trajectory in a fuzzy membership map. Spherical models with 3 mm artificial cortical regions, which were produced using three noise levels of 2%, 5%, and 10%, were employed to evaluate the proposed method. We also applied the proposed method to T1-weighted images obtained from 20 cases, i.e., 10 clinically diagnosed AD cases and 10 clinically normal (CN) subjects. The thicknesses of the 3 mm artificial cortical regions for spherical models with noise levels of 2%, 5%, and 10% were measured by the proposed method as 2.953 ± 0.342, 2.953 ± 0.342 and 2.952 ± 0.343 mm, respectively. Thus the mean thicknesses for the entire cerebral lobar region were 3.1 ± 0.4 mm for AD patients and 3.3 ± 0.4 mm for CN subjects, respectively (p < 0.05). The proposed method could be feasible for measuring the 3D cerebral cortical thickness on individual cortical surface voxels as an atrophy feature in AD.

Three-dimensional Monte Carlo simulation of bulk fin field effect transistor

In this paper, we investigate the performance of the bulk fin field effect transistor （FinFET） through a three- dimensional （3D） full band Monte Carlo simulator with quantum correction. Several scattering mechanisms, such as the acoustic and optical phonon scattering, the ionized impurity scattering, the impact ionization scattering and the surface roughness scattering are considered in our simulator. The effects of the substrate bias and the surface roughness scattering near the Si/SiO2 interface on the performance of bulk FinFET are mainly discussed in our work. Our results show that the on-current of bulk FinFET is sensitive to the surface roughness and that we can reduce the substrate leakage current by modulating the substrate bias voltage.

VISUALIZATION OF THREE-DIMENSIONAL DATA FIELD AND ITS APPLICATION IN MACHINE TESTING

In order to realize visualization of three-dimensional data field （TDDF） in instrument, two methods of visualization of TDDF and the usual manner of quick graphic and image processing are analyzed. And how to use OpenGL technique and the characteristic of analyzed data to construct a TDDF, the ways of reality processing and interactive processing are described. Then the medium geometric element and a related realistic model are constructed by means of the first algorithm. Models obtained for attaching the third dimension in three-dimensional data field are presented. An example for TDDF realization of machine measuring is provided. The analysis of resultant graphic indicates that the three-dimensional graphics built by the method developed is featured by good reality, fast processing and strong interaction

Three-Dimensional Phase Field Simulations of Hysteresis and Butterfly Loops by the Finite Volume Method

Three-dimensional simulations of ferroelectric hysteresis and butterfly loops are carried out based on solving the time dependent Ginzburg-Landau equations using a finite volume method. The influence of externally mechanical loadings with a tensile strain and a compressive strain on the hysteresis and butterfly loops is studied numerically. Different from the traditional finite element and finite difference methods, the finite volume method is applicable to simulate the ferroelectric phase transitions and properties of ferroelectric materials even for more realistic and physical problems.

Integration system research and development for three-dimensional laser scanning information visualization in goaf

An integration processing system of three-dimensional laser scanning information visualization in goaf was developed. It is provided with multiple functions, such as laser scanning information management for goaf, cloud data de-noising optimization, construction, display and operation of three-dimensional model, model editing, profile generation, calculation of goaf volume and roof area, Boolean calculation among models and interaction with the third party soft ware. Concerning this system with a concise interface, plentiful data input/output interfaces, it is featured with high integration, simple and convenient operations of applications. According to practice, in addition to being well-adapted, this system is favorably reliable and stable.

Three-dimensional arbitrarily anisotropic modeling for time-domain airborne electromagnetic surveys

Electrically anisotropic strata are abundant in nature, so their study can help our data interpretation and our understanding of the processes of geodynamics. However, current data processing generally assumes isotropic conditions when surveying anisotropic structures, which may cause discrepancies between reality and electromagnetic data interpretation. Moreover, the anisotropic interpretation of the time-domain airborne electromagnetic （TDAEM） method is still confined to one dimensional （1D） cases, and the corresponding three-dimensional （3D） numerical simulations are still in development. In this study, we expanded the 3D TDAEM modeling of arbitrarily anisotropic media. First, through coordinate rotation of isotropic conductivity, we obtained the conductivity tensor of an arbitrary anisotropic rock. Next, we incorporated this into Maxwell＇s equations, using a regular hexahedral grid of vector finite elements to subdivide the solution area. A direct solver software package provided the solution for the sparse linear equations that resulted. Analytical solutions were used to verify the accuracy and feasibility of the algorithm. The proven model was then applied to analyze the effects of arbitrary anisotropy in 3D TDAEM via the distribution of responses and amplitude changes, which revealed that different anisotropy situations strongly affected the responses of TDAEM.

VECTOR BUNDLE, KILLING VECTOR FIELD AND PONTRYAGIN NUMBERS

Let E be a vector bundle over a compact Riemannian manifold M. We construct a natural metric on the bundle space E and discuss the relationship between the killing vector fields of E and M. Then we give a proof of the Bott-Baum-Cheeger Theorem for vector bundle E.