Theoretical Study on the Spectroscopic Parameters and Transition Properties of MgH Radical Including Spin-orbit Coupling

An accurate theoretical study on the MgH radical is reported by adopting the high-level relativistic MRCI＋Q method with a quintuple-zeta quality basis set. The reliable potential energy curves of the five A-S states of MgH are derived. Then the associated spectroscopic parameters are determined and found to be in good accordance with the available experimental results. The permanent dipole moments （PDMs） and the spin-orbit （SO） matrix elements of A-S states are computed. The results show that the abrupt changes of PDMs and SO matrix elements are attributed to the variations of electronic configurations at the avoided crossing point. The SOC effect leads to the five A-S states split into ten Ω states and results in the double potential well of （2）1//2 state. Finally, the transition properties from the （2）1//2, （1）3//2 and （3）1//2 states to the ground state X2∑＋1//2 transitions are obtained, including the transition dipole moments, Franck-Condon factors and radiative lifetimes.

Fast determination of meso-level mechanical parameters of PFC models

To solve the problems of blindness and inefficiency existing in the determination of meso-level mechanical parameters of particle flow code (PFC) models, we firstly designed and numerically carried out orthogonal tests on rock samples to investigate the correlations between macro-and meso-level mechanical parameters of rock-like bonded granular materials. Then based on the artificial intelligent technology, the intelligent prediction systems for nine meso-level mechanical parameters of PFC models were obtained by creating, training and testing the prediction models with the set of data got from the orthogonal tests. Lastly the prediction systems were used to predict the meso-level mechanical parameters of one kind of sandy mudstone, and according to the predicted results the macroscopic properties of the rock were obtained by numerical tests. The maximum relative error between the numerical test results and real rock properties is 3.28% which satisfies the precision requirement in engineering. It shows that this paper provides a fast and accurate method for the determination of meso-level mechanical parameters of PFC models.

Effect of Dimension Parameters on the Torsion Property of A C/SiC Pipe

Through finite element numerical simulation and based on laminated plate theory, the effect of dimension on the torsion properties of uniform C/SiC composites pipe was studied to provide a theoretical guidance for preparing the C/SiC pipe with different dimensions. The results show that, with increasing length of pipe, the anti-torsion section coefficient of pipe increases whereas the torsion angle per unit length decreases. Increasing the length can improve the torsion property. Anti-torsion section coefficient rises with increasing internal radius, while the torsion angle per unit length decreases to a constant. With increasing thickness, the anti-torsion section coefficient increases whereas the amplitude decreases gradually, and the torsion angle per unit length is a constant. Increment of internal radius and thickness improves the torsion property finitely.

Influence of Structure Parameters on Performance of the Thermoelectric Module

A numerical model of thermoelectric module （TEM） is created by academic analysis,and the impacts of the resistance ratio and thermoelement size on the output power and thermoelectric efficiency of the TEM are analyzed by the MATLAB numerical calculation.The numerical model is validated by the ANSYS thermal,electrical,and structural coupling simulation.The effects of the variable physical property parameters and contact effect on the output power and thermoelectric efficiency are evaluated,and the concept of aspect ratio optimal domain is proposed,which provides a new design approach for the TEM.

Effects of processing parameters on fatigue properties of LY2 Al alloy subjected to laser shock processing

We address the effects of processing parameters on residual stresses and fatigue properties of LY2 Al alloy by laser shock processing （LSP）. Results show that compressive residual stresses are generated near the surface of samples due to LSP. The maximum compressive residual stress at the surface by two LSP impacts on one side is higher than that by one LSP impact. The maximum value of tensile residual stress is found at the mid-plane of samples subjected to two-sided LSP. Compared with fatigue lives of samples treated by single-sided LSP, lives of those treated by two-sided LSP are lower. However, these are higher than untreated ones.

Characterization and analysis of coded excitation ultrasound parameters for rock properties

Coded excitation technology （CET） can effectively enhance the penetration and resolution of ultrasonic testing. To analyze the influence of rock properties on pulse compression performance （PCP） of coded excitation signals （CES）, a numerical simulation, and an ultrasonic experiment on different rock samples are performed; and the detection ability of several CESs are also investigated and compared. The results of experiments showed that the loss of the signal-to-noise ratio （SNR） of Barker coded signal with tapered linear frequency modulated carrier （BTLFM） is always less than Barker coded signal with sine carrier （BS）, while the resolution loss of BTLFM is lower than tapered linear frequency modulated signal （TLFM）. In sum, the results not only verifiy the effectiveness of CET, but also provide a basis for the parameter settings of coded signals used in rock ultrasonic testing.

Understanding of impact of carbon doping on background carrier conduction in GaN

The impact of carbon doping on the background carrier conduction in GaN has been investigated.It is found that the incorporation of carbon can effectively suppress the n-type background carrier concentration as expected.Moreover,from the fitting of the temperature-dependent carrier concentration and mobility,it is observed that high nitrogen-vacancy(VN)dominates the background carrier at room temperature which consequently results in n-type conduction.The doping agent(carbon atom)occupies the nitrogen site of GaN and forms CN deep acceptor as revealed from photoluminescence.Besides,a relatively low hole concentration is ionized at room temperature which was insufficient for the compensation of n-type background carriers.Therefore,we concluded that this background carrier concentration can be suppressed by carbon doping,which substitutes the N site of GaN and finally decreases the VN.

Dynamic Mechanical Characteristics and Damage Evolution Model of Granite

By using the technique of the split Hopkinson pressure bar（ SHPB）,impact tests at different stress wavelengths（ 0. 8-2. 0 m） and strain rates（ 20-120 s^（-1）） were conducted to study the dynamic mechanical properties and damage accumulation evolution lawof granite. Test results showthat the dynamic compressive strength and strain rate of granite have a significantly exponential correlation;the relationship between peak strain and strain rate is approximately linear,and the increase of wavelengths generally makes the level of peak strain uplift. The multiple-impacts test at a lowstrain rate indicates that at the same wavelength,the cumulative damage of granite shows an exponential increasing form with the increase of strain rate; when keeping the increase of strain rate constant and increasing the stress wavelength,the damage accumulation effect of granite is intensified and still shows an exponential increasing form; under the effect of multiple impacts,the damage development trend of granite is similar overall,but the increase rate is accelerating. Therefore the damage evolution model was established on the basis of the exponential function while the physical meaning of parameters in the model was determined. The model can reflect the effect of the wave parameters and multiple impacts. The validity of the model and the physical meaning of the parameters were verified by the test,which further offer a reference for correlational research and engineering application for the granite.

Robust Estimation of Parameters in Nonlinear Ordinary Differential Equation Models

Ordinary differential equation(ODE) models are widely used to model dynamic processes in many scientific fields.Parameter estimation is usually a challenging problem,especially in nonlinear ODE models.The most popular method,nonlinear least square estimation,is shown to be strongly sensitive to outliers.In this paper,robust estimation of parameters using M-estimators is proposed,and their asymptotic properties are obtained under some regular conditions.The authors also provide a method to adjust Huber parameter automatically according to the observations.Moreover,a method is presented to estimate the initial values of parameters and state variables.The efficiency and robustness are well balanced in Huber estimators,which is demonstrated via numerical simulations and chlorides data analysis.

Thermoelectric properties of Eu- and Na-substituted SnTe

Thermoelectric properties of spark-plasma-sintering prepared bulk materials EuxNay□zSn1–x–y–zTe above room temperature were investigated. The implementation of Eu and Na into the SnTe lattice was monitored by refinement of lattice parameters as well as energy dispersive X-ray spectroscopy（EDXS）. The binary SnTe achieved the highest ZT value of 0.63 at 786 K, and showed a hole concentration of 4.6′10^19 cm^–3 at 300 K. In comparison with pristine SnTe, the samples containing Eu had lower carrier mobility but higher Hall carrier concentration. For Eu- and Na-substituted samples, the increased hole concentration was unfavorable for the improvement of thermoelectric properties.