Profiling Electronic and Phononic Band Structures of Semiconductors at Finite Temperatures: Methods and Applications

Semiconductor devices are often operated at elevated temperatures that are well above zero Kelvin,which is the temperature in most first-principles density functional calculations.Computational approaches to com-puting and understanding the properties of semiconductors at finite temperatures are thus in critical demand.In this review,we discuss the recent progress in computationally assessing the electronic and phononic band structures of semiconductors at finite temperatures.As an emerging semiconductor with particularly strong temperature-induced renormalization of the electronic and phononic band structures,halide perovskites are used as a representative example to demonstrate how computational advances may help to understand the band struc-tures at elevated temperatures.Finally,we briefly illustrate the remaining computational challenges and outlook promising research directions that may help to guide future research in this field.

Microstructure Study of Photoluminescent Porous Silicon

We have studied the microstructure and photoluminescent properties of porous Si.High resolution observations revealed that the microstructure of porous Si consists with nano-crystaliites Si embedded in the surrounding amorphous matrix.The struc-ture of nano-crystallites of porous Si is not consis tent with the usual diamond struc-ture of bulk Si.The photoluminescence from porous Si is due to the quantum com finement of carriers in this structure.

Plant diversity, population structure, and regeneration status in disturbed tropical forests in Assam, northeast India

We investigated the plant population structure and the phy- tosociological and regeneration status in two disturbed tropical forests in Assam Province, the Hojai Reserve Forest and Kumorakata Reserve Forest. A total of 166 species （80 trees, 20 shrubs and 66 herbs） of 136 genera and 63 families were recorded in both study sites. The disturbance index at the two sites, Kumorakata Reserve Forest and Hojai Reserve Forest, were recorded at 11.4% and 3.70% respectively. Reverse J-shaped population curve and exploitation of tree species in higher girth classes were recorded at both study sites. In the girth classes （10-30 cm, 30-60 cm, 60-90 cm and 90-120 cm in size） the percentage of cut stump density was higher than the percentage of individual living trees. The 18% （Kumorakata Reserve Forest） and 7% （Hojai Reserve Forest） spe- cies were recorded as not regenerating. Illegal felling and over-exploitation of forest resources may lead to species-specific changes in the population structure and can alter the future structure and composi- tion of the forests.

Topology optimization of 3D shell structures with porous infill

This paper presents a 3D topology optimization approach for designing shell structures with a porous or void interior. It is shown that the resulting structures are significantly more robust towards load perturbations than completely solid structures optimized under the same conditions. The study indicates that the potential benefit of using porous structures is higher for lower total volume fractions.Compared to earlier work dealing with 2D topology optimization, we found several new effects in 3D problems. Most notably, the opportunity for designing closed shells significantly improves the performance of porous structures due to the sandwich effect. Furthermore, the paper introduces improved filter boundary conditions to ensure a completely uniform coating thickness at the design domain boundary.

The MuItilayer Fabric Structures for Conveyer Belts

The fabric structures for both the base structures and thecover of multilayer conveyer belts are introduced in thispaper.It is also of general significances to use these fab-rics in composite materials.

A new generalized fractional Dirac soliton hierarchy and its fractional Hamiltonian structure

Based on the differential forms and exterior derivatives of fractional orders, Wu first presented the generalized Tu formula to construct the generalized Hamiltonian structure of the fractional soliton equation. We apply the generalized Tu formula to calculate the fractional Dirac soliton equation hierarchy and its Hamiltonian structure. The method can be generalized to the other fractional soliton hierarchy.

Analysing the structure of the optical path length of a supersonic mixing layer by using wavelet methods

The nano-particle-based planar laser scattering （NPLS） technique is used to measure the density distribution in the supersonic mixing layer of the convective Mach number 0.12, and the optical path difference （OPL）, which is quite crucial for the study of aero-optics, is obtained by post processing. Based on the high spatiotemporal resolutions of the NPLS, the structure of the OPL is ana]ysed using wavelet methods. The coherent structures of the OPL are extracted using three methods, including the methods of thresholding the coefficients of the orthogonal wavelet transform and the wavelet packet transform, and preserving a number of wavelet packet coefficients with the largest amplitudes determined by the entropy dimension. Their performances are compared, and the method using the wavelet packet is the best. Based on the viewpoint of multifractals, we study the OPL by the wavelet transform maxima method （WTMM）, and the result indicates that its scaling behaviour is evident.

Design, Synthesis, Crystal Structure and Photophysical Properties of New Oxadiazole Extended Viologen Fluorophore

Viologens (N,N'-dimethyl-4,4-bipyridinium) are advanced functional materials, found important applications in electrochromic devices, molecular machines, organic batteries, and carbohydrate oxidation catalysts in alkaline fuel. In this article, we investigated the design, synthesis and photophysical properties of N,N'-dimethyl-2,5-Bis(pyridinium)oxadiazole 4 and its precursor 2,5- Bis(pyridine)oxadiazole 2. The crystal structure and photophysical properties of viologen 4 and precursor 2 have been determined. The viologen molecule 4 crystallized in monoclinic form, space group P21/n with four molecules in unit cell. Precursor molecule 2 also crystalized in monoclinic form, space group C2/c with four molecules in unit cell. From X-rd data, we found three cations in the molecular structure of viologen molecule 4, which is unusual in viologens. In the three-dimensional molecular packing diagram of molecule 4, the three cations and iodate anions are stabilized by C···C, C···I, N···I, N···H, H···I, N—H···I and C—H···I. The dihedral angle between planes having oxadiazole and two benzene rings are 5°and 8°, suggesting the molecule 4 is a slightly strained one. The molecular structure of precursor molecule 2 stabilized by C···C and N···H short contacts between the molecules. The molecule 4 displayed strong absorbance at 315 nm and emissions between 390 - 410 nm.

Influence of Hydrogen on Dislocation Structure in a Duplex Stainless Steel

The dislocation structure of specimens of a duplex stainless steel with precharged hydrogen has been investigated by transmission electron microscopy.The result showed the hydrogen acti- vated dislocation source on phase boundaries of ferrite/austenite and makes certain dislocations in austenite grains move.The dislocation appearances in each phase in specimens uncharged with hydrogen have been given for comparison.

Analysis on Governance Structure of Farmers' Specialized Cooperatives in Sichuan Province

In this paper, 87 farmers' specialized cooperatives in Sichuan Province were investigated firstly, and then their governance structure was analyzed from the aspects of authority, decision-making mechanism, supervision mechanism and executive body based on the corporative governance structure in narrowest sense, finally corresponding policy suggestions for improving the governance structure of farmers' specialized cooperatives in Sichuan Province were put forward. It is concluded that human control is serious within farmers' specialized cooperatives; inner supervision is effective; council has great effects on governance structure; the cooperatives give limited incentive to managers.

Evaluation of Governance Structure of Farmers' Specialized Cooperatives

In this paper,from the authority,decision-making body,supervisory body and implementing body,we analyze the governance structure evaluation indicators of farmers' specialized cooperatives,using objective and subjective combination weighting approach.And we draw the following conclusions:the rate of return of profits for membership,frequency of council convened and the number of members of board of supervisors have a great impact on the governance structure of cooperatives; the insider control phenomenon in cooperatives is more serious and the level of incentives is limited.Finally we put forward corresponding policy recommendations.

Aiming High A Chinese enterprise is participating in the construction of the largest skyscraper in Africa

Anyone visiting Rabat,capital of Morocco and a city with rich historical heritage,is struck by the majesty of the Hassan Tower.This vestige dating from the Almohad Dynasty(12th century)consists of a minaret and a large prayer area with colonnades.With a height of 44 meters,today,this skyscraper of the Middle Ages is a testimony to the influence of Rabat and its past domination over a territory ranging from Spain to Tunisia.

Formation of Hybrid Ring Structure of Cyanurate/Isocyanurate in the Reaction be-tween 2,4,6-Tris(4-Phenyl-Phenoxy)-1, 3,5-Triazine and Phenyl Glycidyl Ether

Reaction products of 2,4,6-tris(4-phenyl-phenoxy)-1,3,5-triazine derived from 4-phenylphenol cyanate ester and phenyl glycidyl ether were analyzed. In addition to an isocyanurate compound and an oxazolidone compound which were well known as reaction products of cyanate esters and epoxy resins, compounds with hybrid ring structure of cyanurate/isocyanurate were determined. Gibbs free energies of the compound having hybrid ring structure of cyanurate/isocyanurate with two isocyanurate moiety were found to be lower than that of the compound with cyanurate ring structure through calculations. Calculation data supported the existence of hybrid ring structure of cy-anurate/isocyanurate. It was revealed that isomerization from cyanurate to isocyanurate occurs via hybrid ring structure of cyanurate/isocyanurate in the reaction of aryl cyanurate and epoxy.

Moonstruck

The Mid-Autumn Festival,celebrated on the 15th day of the eighth month in the traditional Chinese lunisolar calendar,fell on September 17 this year.In honor of this beloved traditional Chinese holiday,a wave of animated and colorful festivities swept across the nation.

The Mining Rights of Two Lithium Mines in Sichuan Struck a Deal at a High Price

According to the information from Sichuan Provincial Public Resource Trading Platform,on August,13th,the prospecting auction of Jiada Lithium Mine in Ma’erkang City of Sichuan ended.The auction struck a deal at the price of RMB 4.206 billion,presenting the appreciation rate of 1317 times.On August,11th,the prospecting right of North Lijiagou Lithium Mine in Jinchuan County of Sichuan struck a deal at the price of RMB 1.01 billion,with the starting price of RMB 570000 and the number of quotations of 3412 times,presenting the appreciation rate of 1771.23 times.According to analysts,the skyrocketing price emerged once again while lithium price is falling indicates the fact that lithium resources are still scarce.In particular,Sichuan is rich in quality lithium resources that many companies are willing to buy at a high price.Meanwhile,in the first half of the year,due to the fluctuation of the price of lithium carbonate and the instability of the supply of lithium mine,lithium mine companies are competing with each other even more fiercely.Companies in the industry chain are fighting for upstream lithium resource so as to stabilize manufacturing cost.

基于相对联系数的区域水利高质量发展评价指标体系筛选方法

为综合判断在区域水利高质量发展目标、发展途径、发展条件相互作用下区域水资源-经济社会-生态环境复合系统不断协同优化的系统高质量发展水平状态,构建了由发展目标、发展途径和发展条件3个子系统组成的区域水利高质量发展初步评价指标体系。为定量分析初步评价指标体系的专家咨询信息,根据专家指标排序合理性模糊关系的取值区间特点提出了相对联系数,用相对联系数的平均集对势估计各专家指标排序合理性的权重,进而可得各指标重要性的专家综合排序值,据此筛选初步评价指标体系,构建了基于相对联系数的区域水利高质量发展评价指标体系筛选方法(SM-RCN)。SM-RCN在陕西省的应用结果表明:筛选后的指标体系汇聚了各专家对区域水利高质量发展主要影响指标的综合评判;SM-RCN可克服评价指标体系构建过程缺乏定量分析依据的不足,可识别不同专家、同一专家对不同评价方面的指标排序合理性的程度。该筛选方法在区域水利现代化、水资源空间均衡、水资源承载力等评价指标体系构建过程中具有应用前景。

SOSNet:一种非对称编码器-解码器结构的非小细胞肺癌CT图像分割模型

非小细胞肺癌严重损害人类健康,早期非小细胞肺癌CT(Computed Tomography)图像中的肿瘤结节体积小,不易发现,极易造成漏诊和误诊.为了精确分割非小细胞肺癌CT图像中的小体积肿瘤结节,本文提出SOSNet(Small Object Segmentation Networks)自动分割模型,利用ResNet(Residual Network)基础层和空洞卷积构造非对称编码器-解码器结构作为分割主网络,利用轴向取反注意力模块ARA(Axial Reverse Attention)逐步擦除背景中对分割有影响的结构,再使用结构细化模块SR(Structure Refinement)对主网络输出的粗略特征图进行结构细化,从而实现非小细胞肺癌肿瘤结节分割.在非小细胞肺癌公开数据集的实验测试表明,本文提出的小目标自动分割模型SOSNet可以有效分割出非小细胞肺癌CT图像中的小体积肿瘤结节,其mDice(mean-Dice)、mIoU(mean Intersection over Union)、Sensitivity、F1、Specificity、平均绝对误差MAE(Mean Absolute Error)均优于当前最先进的小目标分割模型CaraNet(Context Axial Reverse Attention Network).

基于多项式代理模型的车顶绝缘子背风侧沿面压力优化研究

高速气流下,车顶绝缘子背风侧出现低气压会使得闪络电压降低,影响列车安全运行,为了改善车顶绝缘子背风侧的低气压现象,使用代理模型对车顶绝缘子结构参数进行优化。在车顶绝缘子结构参数上选取了伞裙上、下倾角以及伞裙间距作为因子,以绝缘子背风侧沿面压力的最小值作为响应,采用全因子试验设计方法获取样本数据,并对因子的主效应和交互效应进行分析,在此基础上建立多项式代理模型,进一步得到最佳的结构参数,最后进行闪络试验验证其有效性。结果表明:伞裙上、下倾角的主效应与伞裙间距相比更加显著,各因子之间没有显著的交互效应;最佳参数:伞裙上、下倾角分别为8°和0°,伞裙间距为45mm,背风侧沿面压力最小值提高了25.62%,同时压力平均值提高了42.47%;在100m/s的风速条件下,车顶绝缘子的闪络电压提高了16.80%。研究结果可以为车顶绝缘子结构设计提供参考。

西北江下游河流底栖动物群落健康评价

2020年12月在西北江下游河流设置11个采样点,调查底栖动物群落结构,应用底栖动物完整性指数(B-IBI)评价河流健康状况,并分析B-IBI值与环境因子的关系。结果表明,参照点位的B-IBI值在0.59~4.00之间,处于中等—优状态;受损点位的B-IBI值在0~0.82之间,处于很差—良好状态,其中较差和很差状态占比为87.5%。氨氮浓度与B-IBI值呈现极显著的负相关性,降低水污染负荷是促进底栖动物群落恢复健康的有效途径。在水质已经实现好转的基础上,可通过营造河底卵石生境来促进底栖动物群落恢复,同时也应加强河岸带的修复。

玻璃纤维增强柔性冷水管截面设计及强度分析

海洋温差能因具有能源稳定、环保可持续等特点,而具有较高的开发利用价值.冷海水管设计是温差能电站建造的重要环节,为降低成本,提出一种分段设计方法.首先,利用ABAQUS软件对直径为1 m的大口径玻璃纤维增强柔性冷水管进行截面设计,并运用ORCAFLEX软件分析缓波形布置冷水管的整体受力情况;其次,根据整体受力分析结果将冷水管按深度分段,再通过ABAQUS软件建立局部分析模型,计算得到不同分段冷水管满足内压、外压、拉伸载荷及弯矩组合载荷强度要求的增强层最少纤维缠绕层数;最后,提出分段设计截面的方法.研究结果表明,采用分段设计截面的方法,可大幅减少冷水管纤维增强层材料的用量,降低冷水管的制作成本,为大口径玻璃纤维增强冷水管的设计提供参考.