Correcting the systematic error of the density functional theory calculation: the alternate combination approach of genetic algorithm and neural network

The alternate combinational approach of genetic algorithm and neural network (AGANN) has been presented to correct the systematic error of the density functional theory (DFT) calculation.It treats the DFT as a black box and models the error through external statistical information.As a demonstration,the AGANN method has been applied in the correction of the lattice energies from the DFT calculation for 72 metal halides and hydrides.Through the AGANN correction,the mean absolute value of the relative errors of the calculated lattice energies to the experimental values decreases from 4.93% to 1.20% in the testing set.For comparison,the neural network approach reduces the mean value to 2.56%.And for the common combinational approach of genetic algorithm and neural network,the value drops to 2.15%.The multiple linear regression method almost has no correction effect here.     

Artificial neural network method for determining optical properties from double-integrating-spheres measurements

<正>Accurate measurement of the optical properties of biological tissue is very important for optical diagnosis and therapeutics.An artificial neural network(ANN)-based inverse reconstruction method is introduced to determine the optical properties of turbid media,which is based on the reflectance(R) and transmittance (T) of a thin sample measured by a double-integrating-spheres system.The accuracy and robustness of the method has been validated,and the results show that the root mean square errors(RMSEs) of the absorption coefficientμ_a and scattering coefficientμ'_s reconstruction are less than 0.01 cm~(-1) and 0.02 cm~(-1),respectively.The algorithm is not only very accurate in the case of a lower albedo(~0.33),but also very robust to the noise of R and T especially for theμ'_s reconstruction.     

Numerical simulations of the impact of wavefront phase distortions of pump on the beam quality of OPA

<正>A numerical model of optical parametric amplification(OPA) is introduced to investigate the impact of wavefront phase distortion of pump on the beam quality of signal.Numerical results show that the unidentical walk-off directions of the pump and the idler waves are the main factors leading to the transfer of wavefront phase distortions of the pump to the signal,and by reducing the angle between the two directions,the beam quality factor(M~2) can be greatly decreased and hence the good beam quality of the signal can be maintained.     

Microwave Doppler spectra of sea return at small incidence angles: specular point scattering contribution

It is well known that the sea return echo contains contributions from at least two scattering mechanisms. In addition to the resonant Bragg scattering, the specular point scattering plays an important role as the incidence angle becomes smaller (≤20o). Here, in combination with the Kirchhoff integral equation of scattering field and the stationary phase approximation, analytical expressions for Doppler shift and spectral bandwidth of specular point scattering, which are insensitive to the polarization state, are derived theoretically. For comparison, the simulated results related to the two-scale method (TSM) and the method of moment (MOM) are also presented. It is found that the Doppler shift and the spectral bandwidth given by TSM are insufficient at small incidence angles. However, a comparison between the analytical results and the numerical simulations by MOM in the backscatter configuration shows that our proposed formulas are valid for the specular point scattering case. In this work, the dependences of the predicted results on incidence angle, radar frequency, and wind speed are also discussed. The obtained conclusions seem promising for a better understanding of the Doppler spectra of the specular point scattering fields from time-varying sea surfaces.     

Forward and inverse problem for cardiac magnetic field and electric potential using two boundary element methods

This paper discusses the forward and inverse problem for cardiac magnetic fields and electric potentials.A torso-heart model established by boundary element method(BEM) is used for studying the distributions of cardiac magnetic fields and electric potentials.Because node-to-node and triangle-to-triangle BEM can lead to discrepant field distributions,their properties and influences are compared.Then based on constructed torso-heart model and supposed current source functional model-current dipole array,the magnetic and electric imaging by optimal constrained linear inverse method are applied at the same time.Through figure and reconstructing parameter comparison,though the magnetic current dipole array imaging possesses better reconstructing effect,however node-to-node BEM and triangleto-triangle BEM make little difference to magnetic and electric imaging.     

Ka波段曲折双脊波导行波管的研究

提出了一种曲折双脊波导慢波结构,理论分析了慢波结构的高频特性,并在此基础上设计了工作在Ka波段的曲折双脊波导行波管.利用三维粒子模拟软件MAGIC 3D建立了曲折双脊波导行波管模型,并对行波管中的注-波互作用进行了模拟分析.在相同工作条件下,分析比较了曲折双脊波导行波管和曲折波导行波管的各种性能参量,从中发现：在行波管增益峰值相近的情况下,曲折双脊波导行波管具有更好的带宽性能,其3 dB增益带宽为22％;同时具有更高的电子效率,其峰值接近9％.     

δ势垒对多臂量子环中持续电流的影响

提出了中臂弯曲的多臂量子环模型,且是上臂最短和下臂最长的不等臂量子环.研究发现：总磁通为零时,持续电流随半导体环增大发生非周期性振荡,并与电极的磁矩方向及隧穿电子的自旋方向相关,下臂因为最长而获得最小的平均持续电流.AB磁通增强时,持续电流会发生周期性振荡,各臂之间明显出现相互制约的现象.各臂持续电流之间的差异与臂长和磁通分布相关,Rashba自旋轨道耦合具有改变持续电流相位和相位差的效应.在一定条件下,两种波函数所对应的持续电流是可分离的.     

A molecular dynamics simulation of segregation behaviours of horizontally vibrated binary granular mixture

This paper performs the two-dimensional, soft-sphere molecular dynamics simulations to study the granular segregation in a binary granular mixture with the same size but different density in the container with the sawtooth base under horizontal vibration. The segregation phase diagram is presented in the acceleration-frequency space. When the acceleration is high enough to result in relative motions of the particles, the system can be in various states (mixed state, vertical and horizontal segregation state), which depend on both acceleration and frequency. Due to the sawtooth base there is stratified flow effect besides density effect. The density effect raises the light particles. The stratified flow drives the particles in the upper levels to the right and the particles in the lower particles to the left, those fact results in the appearance of the left segregation state. The left segregation state can be changed to the right segregation by changing the shape of the sawtooth. As the vibration frequency increases, the stratified flow effect becomes weaker and weaker, so at high vibration frequencies the vertical segregation state appears instead of the left segregation state.     

Confirmation on origin of primary electron in solid state cathodoluminescence

This paper utilizes the brightness-voltage waveform curve to investigate the primary electron in solid state cathodoluminescence. The results indicate that the primary electron is from the interface state of SiO₂/MEH-PPV (Poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene]) under the lower electric field which contributes to the 580-nm emission. With increasing the electric field, the 405-nm emission is obtained, and under this condition, the origin of the primary electron is mainly from tunneling.     

多脉冲加载下材料的绝缘特性

利用多脉冲实验平台分别对尼龙与交联聚苯乙烯两种绝缘材料在单脉冲与三脉冲两种不同加载条件下的绝缘特性差异进行初步研究,得到了两种绝缘材料在不同加载条件下沿面闪络场强的统计平均值,结合实验现象对所得实验结果做出了初步分析。通过进行单脉冲与三脉冲加载条件下材料沿面闪络场强的对比实验,为新型绝缘器件设计中相关参数的确定提供了实验依据。