浅析化学生物学实验课程的有效教学方法

作为高年级化学专业本科生的综合性实验课程,化学生物学实验课为学生提供了拓宽知识体系及培养相关实验技术能力的平台。本文主要介绍了笔者在改进实验课教学过程中所做的尝试,包括设置"实验考查点"以提高实验效率,通过"翻转课堂"形式引入改进内容以及根据教材合理拓宽实验内容等。多种方式的综合应用有助于教与学的互动,更适应实验课程交叉性和不断发展的需要。     

New observations on hydrogen bonding in ice by density functional theory simulations

In this paper, we report on a series of computational simulations on hydrogen bonding in two ice phases （Ih and Ic） using CASTEP with PW91 and RPBE exchange-correlation based on ab initio density functional theory. The strength of the H-bond is correlated with intramolecular O-H stretching, and the energy splitting exists for both the H-bond and covalent O-H stretching. By analyzing the dispersion relationship of to（q）, we observe the separation of the longitudinal optic （LO） mode from transverse optic （TO） mode at the gamma point, seemingly interpreting the controversial two H-bond peaks in the vibrational spectrum of ice recorded by inelastic incoherent neutron scattering experiments. The test of ambient environment on phonon density of sates （PDOS） shows that the relaxed tetrahedral structure is the most stable structural configuration for water clusters.     

Effects of Mg doping in the quantum barriers on the efficiency droop of GaN based light emitting diodes

The effects of Mg doping in the quantum barriers(QBs) on the efficiency droop of GaN based light emitting diodes(LEDs) were investigated through a duel wavelength method. Barrier Mg doping would lead to the enhanced hole transportation and reduced polarization field in the quantum wells(QWs), both may reduce the efficiency droop. However,heavy Mg doping in the QBs would strongly deteriorate the crystal quality of the QWs grown after the doped QB. When increasing the injection current, the carriers would escape from the QWs between n-GaN and the doped QB and recombine non-radiatively in the QWs grown after the doped QB, leading to a serious efficiency droop.     

公路桥梁车辆荷载建模方法及疲劳寿命评估

针对公路桥梁车辆荷载概率统计中出现的多峰分布问题,引入赤池信息判别准则(Akaike Information Criterion,AIC)和贝叶斯信息判别准则(Bayesian Information Criterion,BIC),提出了一种高斯混合建模方法(Gaussian Mixture Model,GMM);结合车辆动态称重数据,依据等效疲劳原则,建立了宜泸高速等效疲劳车辆荷载模型。在此基础上,采用Miner疲劳线性累积准则对某简支梁桥进行了疲劳寿命评估。研究结果表明:该高斯建模方法能够精确地描述车辆荷载概率密度分布同时兼顾简洁性;模型加权分量数分别与拟合精度、模型的简洁性呈正相关、负相关;单峰荷载模型作用下桥梁的疲劳寿命(82.0年)小于高精度多峰荷载模型的计算值(89.6年),优化多峰荷载模型与高精度荷载模型作用下,桥梁的疲劳寿命发展曲线吻合较好,误差仅为1.5%;考虑交通增长率为5%时,在优化高斯混合车辆模型作用下,宜泸高速某简支梁桥的疲劳寿命值为89.6年。     

大跨度悬索桥索股抗弯刚度对锚跨张力测试精度的影响研究

为研究索股抗弯刚度对张力测试精度的影响,基于能量法推导了计入索股抗弯刚度和忽略索股抗弯刚度影响的悬索桥锚跨索股在两端铰接时索股张力和自振频率的关系,考虑到悬索桥索股边界条件的复杂性,结合动平衡法得出了索股在一端铰接一端弹性支承时索股张力与自振频率之间的相关表达式。通过算例,对所得表达式的精度及有效性进行了验证,结果发现索股的抗弯刚度对索股张力控制精度的影响较大。工程应用研究则表明,索股抗弯刚度对测试精度的影响,主要由索股张力产生的应力刚度与索股抗弯刚度之间的比值决定;锚跨索股边界条件的不确定性,对控制精度也产生较大影响,施工锚跨张力控制过程中,结合提出的最小二乘法,能有效地解决该问题,并能大幅提高索股张力控制精度。     

阿魏酸丙三酯的分子内协同抗氧化作用研究

设计并合成了一个包含3个阿魏酸抗氧化功能基团的新型抗氧化剂分子--阿魏酸丙三酯, 并以阿魏酸单体分子作对照从自由基清除效果与动力学反应活化能两个角度对比分析了阿魏酸丙三酯与DPPH^·反应间的协同抗氧化作用.     

基于LHS-Kriging法的正交异性钢桥面板疲劳可靠度分析

为解决随机车载下正交异性钢桥面板疲劳应力谱有限元求解耗时问题,采用拉丁超立方抽样(LHS)与Kriging方法,建立了快速获取随机车流作用下细节疲劳应力谱的LHS-Kriging有限元替代模型,并将此模型应用于南溪长江大桥正交异性钢桥面板疲劳可靠度计算。结果表明,基于LHS-Kriging方法的有限元替代模型,不需要经过大量车辆荷载的有限元加载,可直接快速获取细节疲劳应力谱;与传统的响应面法(RSM)相比,Kriging法预测的细节等效疲劳应力更符合有限元计算结果;随着交通量增长率的增大,桥梁的疲劳可靠度显著减少;100年后,当交通量增长率为3%和5%时,正交异性桥面板与纵肋焊接处的细节疲劳可靠度小于2。     

基于LHS-Kriging法的正交异性钢桥面板疲劳可靠度分析

为解决随机车载下正交异性钢桥面板疲劳应力谱有限元求解耗时问题,采用拉丁超立方抽样（LHS）与Kriging方法,建立了快速获取随机车流作用下细节疲劳应力谱的LHS-Kriging有限元替代模型,并将此模型应用于南溪长江大桥正交异性钢桥面板疲劳可靠度计算。结果表明,基于LHS-Kriging方法的有限元替代模型, 不需要经过大量车辆荷载的有限元加载,可直接快速获取细节疲劳应力谱;与传统的响应面法（RSM）相比,Kriging法预测的细节等效疲劳应力更符合有限元计算结果;随着交通量增长率的增大,桥梁的疲劳可靠度显著减少;100年后,当交通量增长率为3%和5%时,正交异性桥面板与纵肋焊接处的细节疲劳可靠度小于2。     

Dual-wavelength distributed Bragg reflector semiconductor laser based on composite resonant cavity

We report a monolithic integrated dual-wavelength laser diode based on a distributed Bragg reflector (DBR) composite resonant cavity. The device consists of three sections, a DBR grating section, a passive phase section, and an active gain section. The gain section facet is cleaved to work as a laser cavity mirror. The other laser mirror is the DBR grating, which also functions as a wavelength filter and can control the number of wavelengths involved in the laser action. The reflection bandwidth of the DBR grating is fabricated to have an appropriate value to make the device work at the dual-wavelength lasing state. We adopt the quantum well intermixing (QWI) technique to provide low-absorption loss grating and passive phase section in the fabrication process. By tuning the injection currents on the DBR and the gain sections, the device can generate 0.596 nm-spaced dual-wavelength lasing at room temperature.     

Electrical properties of MOCVD-grown GaN on Si (111) substrates with low-temperature AlN interlayers

The electrical properties of the structure of GaN grown on an Si (111) substrate with low-temperature (LT) AlN interlayers by metal-organic chemical-vapour deposition are investigated. An abnormal P-type conduction is observed in our GaN-on-Si structure by Hall effect measurement, which is mainly due to the Al atom diffusing into the Si substrate and acting as an acceptor dopant. Meanwhile, a constant n-type conduction channel is observed in LT-AlN, which causes a conduction-type conversion at low temperature (50 K) and may further influence the electrical behavior of this structure.