新疆圆柏挥发油化学成分分析

气相色谱-质谱联用技术分析研究了植物新疆圆柏枝叶挥发油化学成分,分离鉴定了20个成分,占挥发油色谱总峰面积99.12%。     

基于近红外光谱和ELM算法的菱镁矿石品级分类研究

由工业发展需求,针对菱镁矿石矿物含量不同以及分布不均匀而难以判定其品级的情况,提出一种由近红外光谱技术结合ELM的菱镁矿石品级分类模型。该模型可以实现菱镁矿石品级的快速分类。近红外光谱利用菱镁矿中不同种类含H基团对近红外光谱有不同吸收的特性,用来测定菱镁矿石的成分及其含量,其操作简便、不破坏样品、速度快、准确高效。以辽宁省营口市大石桥的菱镁矿石30组为研究对象,采集菱镁矿石的近红外光谱数据样本30×973。采用主成分分析(PCA)对其进行降维处理,以主元贡献率大于99.99%而得到10维的特征变量值。建立了ELM算法定量分析数学模型,取20组样本为训练样本(包括6组特级,14组非特),其余10组作为测试样本(其中4组特级,6组非特),ELM算法模型的隐含层节点数选取20。为了进一步提高分类效果,提出两种ELM算法模型的改进：采用循环模式对传统ELM的输入权值和阈值进行寻优的精选ELM和在精选ELM基础上进行集成的集成-精选ELM。并与用人工方法、化学方法和BP神经网络模型方法对菱镁矿石样品品级分类作对比。结果表明：近红外光谱和ELM菱镁矿石品级分类模型不论在时间上还是成本上,都具有明显的优势,且其准确率能够达到90%以上,为菱镁矿石品级分类提供了一条新的途径。     

Dithieno[3,2‐b:2′,3′‐d]pyrrole Cored p‐Type Semiconductors Enabling 20 % Efficiency Dopant‐Free Perovskite Solar Cells

Organic p‐type semiconductors with tunable structures offer great opportunities for hybrid perovskite solar cells (PVSCs). We report herein two dithieno[3,2‐b:2′,3′‐d]pyrrole (DTP) cored molecular semiconductors prepared through π‐conjugation extension and an N‐alkylation strategy. The as‐prepared conjugated molecules exhibit a highest occupied molecular orbital (HOMO) level of ?4.82 eV and a hole mobility up to 2.16×10^?4 cm² V^?1 s^?1. Together with excellent film‐forming and over 99 % photoluminescence quenching efficiency on perovskite, the DTP based semiconductors work efficiently as hole‐transporting materials (HTMs) for n‐i‐p structured PVSCs. Their dopant‐free MA_0.7FA_0.3PbI_2.85Br_0.15 devices exhibit a power conversion efficiency over 20 %, representing one of the highest values for un‐doped molecular HTMs based PVSCs. This work demonstrates the great potential of using a DTP core in designing efficient semiconductors for dopant‐free PVSCs.     

An auditory periphery model for improving narrow-band noise recognition rate of underwater targets

The recognition rate of the auditory periphery features decreases when the model is used to identify underwater targets in practice. To solve this problem, an improved method based on Gammatone filter bank is proposed. Firstly, after the reason of the decreasing of the recognition results is analyzed,the mechanism of multichannel data acquisition in acoustic engineering may narrow down signal frequency range, which leads to time-frequency features distortion. Secondly, the Gammatone filter bank is implemented to simulate frequency decomposition characteristics of human ear basilar membrane. Since the class information of the underwater noise signal is mostly contained in low frequency range, the auditory features of the conventional model are interpolated and the channel number of the filter bank and the central frequency of each frequency band are adjusted accordingly to obtain a 27-dimensional feature vector of the narrow-band target signal. The adjusted model may reflect the target's timefrequency feature more precisely. Finally, the performance of the auditory features is tested by a Neural Network classifier. The experiment results show that the modified auditory model is more effective than the conventional ones. The major information contained in broadband signals is reserved and the classification ability for real targets is further enhanced. The recognition results are increased from 82.59% to 88.80%. The modified auditory features effectively improve the recognition rate for underwater target radiated noise signals.     

质子交换膜燃料电池动态特性数值分析

本文基于CFD手段计算分析了质子交换膜燃料电池在启动过程、负载突变两种工况下的动态响应特性,与实验结果进行了对比,分析了其影响因素.分析了燃料电池动态工况下膜内含水量、极板电流和阴极扩散层水饱和度三个参数在负载变化时的响应速度,认为膜内含水量、极板电流在2s左右即可达到平衡,而阴极扩散层水饱和度需较长时间才能达到平衡.     

Above-Threshold Dissociation of HD+ in Femtosecond Laser Field

The above-threshold dissociation （ATD） of the HD＋ molecular ion in femtosecond laser field is investigated theoretically. The energy-dependent distribution of the dissociated fragments is calculated using an asymptoticflow expression in the momentum space. The calculations show that the ATD of HD＋ is sensitive to the initial vibrational level of ground electronic state. Multiphoton ATDs can be observed in the dissociation processes. The dynamics phenomena are interpreted by using the concept of light-dressed potential.     

不用固定规范的微扰论

本文建议从趋向平衡的Langevin方程出发,建立量子场论的微扰展开.文中证明了这种表述可用于规范理论,无需固定规范就能正确算出规范不变的量.文中还给出了简单例子的计算细节,并讨论了Langevin方程的微扰解趋向平衡的速率.     

硅晶体中单个位错的运动

本文利用化学浸蚀方法,在400—900℃的温度范围内,在0.35—13kg·mm^{-2的应力条件下,测量了硅晶体中单个位错的运动速度。实验结果表明,位错运动速度V(τ,T)作为温度(T)和分解切应力(τ)的函数,满足如下方程:V(τ,T)=Aτme-Q/(KT)。式中m=1.02—1.49,Q=1.96—2.07eV。最后,把实验结果与扩展位错的弯结模型作了比较。 关键词：}     

A new approach to variable selection in least squares problems

The title Lasso has been suggested by Tibshirani (1996) as acolourful name for a technique of variable selection which requiresthe minimization of a sum of squares subject to an l₁ bound on the solution. This forces zero components in the minimizingsolution for small values of . Thus this bound can functionas a selection parameter. This paper makes two contributionsto computational problems associated with implementing the Lasso:(1) a compact descent method for solving the constrained problemfor a particular value of is formulated, and (2) a homotopymethod, in which the constraint bound becomes the homotopyparameter, is developed to completely describe the possibleselection regimes. Both algorithms have a finite terminationproperty. It is suggested that modified Gram-Schmidt orthogonalizationapplied to an augmented design matrix provides an effectivebasis for implementing the algorithms.     

MXenes复合材料的发展:界面调控及结构设计

MXenes作为一类新兴的二维材料, 因具有独特的亲水性、 优异的力学性能、 丰富的表面官能团、 高导电率、 光热以及光电效应等性能而成为研究热点, 广泛应用在电磁屏蔽、 电化学储能、 生物医药、 分离、 传感器和海水淡化等领域. 虽然MXenes具有这些优异的性能, 但是其存在的与疏水性高分子相容性差、 带负电的官能团阻碍电解质运输及易氧化等问题限制了其实际应用. 近年来, 通过对MXenes进行界面调控以解决其固有缺陷, 并在此基础上对MXenes进行针对性的结构设计以提升界面稳定性, 其性能得到了进一步提升. 本文对MXenes复合材料发展过程中在界面调控和结构设计方面的研究进展进行总结, 并重点介绍了MXenes的结构和性质及MXenes在复合材料中的界面调控手段, 对MXenes复合材料的结构设计进行了阐述, 并对MXenes复合材料的发展前景进行了展望.