双轴应变条件下单层MoSe2电子结构和拉曼光谱的第一性原理计算

二硒化钼的层间相互作用强,单层结构具有更低的带隙和更好的稳定性.由于独特的光学性质和优异的电学性能受到研究人员的广泛关注.本文基于密度泛函理论的第一原理,计算和分析了在双轴拉伸压缩应变条件下单层MoSe₂能带结构,拉曼光谱和声子谱的变化规律以及性质产生的原因.在拉伸压缩应变作用下,直接带隙转变为间接带隙.当拉伸应变达到12%时,材料发生半导体-金属相变.当压缩应变达到6%时,声子谱中开始出现虚频率,表明结构开始变得不稳定.     

等厚薄板翼型的气动力特性研究

本文从吹风实验及数据分析两方面来研究等厚薄板翼型的气动力特性。在实验中对单园弧、双圆弧、抛物线三种类型的薄板翼型进行了孤立翼型的吹风试验，得出了各翼型升力系数，阻力系数随冲角变化的结果。然后利用非交错网格下的ＳＩＭＰＬＥ方法，计算了等厚薄板翼型流场，计算结果和实验结果吻合较好。     

Robust Preparation of Atomic Concatenated Greenberger–Horne–Zeilinger States via Shortcuts to Adiabaticity

Here, a protocol for robust preparation of an atomic concatenated Greenberger–Horne–Zeilinger (C‐GHZ) state via shortcuts to adiabaticity (STA) is proposed. The devices for implementing the protocol consist of atoms, cavities, and the optical fibers, which are feasible with current technology. The atoms are trapped in the separated cavities allowing individual control over each atom with classical fields. STA helps to design Rabi frequencies of classical fields so that the atoms can be driven from the initial states to the target states. The numerical simulations show that the protocol holds robustness against atomic spontaneous emissions and photonic leakages. Thus, the protocol may be realized by experiments in the near future.     

Semiparametric Bayesian inference for mean-covariance regression models

In this paper, we propose a Bayesian semiparametric mean-covariance regression model with known covariance structures. A mixture model is used to describe the potential non-normal distribution of the regression errors. Moreover, an empirical likelihood adjusted mixture of Dirichlet process model is constructed to produce distributions with given mean and variance constraints. We illustrate through simulation studies that the proposed method provides better estimations in some non-normal cases. We also demonstrate the implementation of our method by analyzing the data set from a sleep deprivation study.     

一类复杂循环排队系统的计算机模拟及其在进程调度中的应用

讨论了顾客到达时间和服务时间与等待队列队长有关的排队系统模拟,顾客服务次数不止1次即出现循环的复杂排队系统,引入到达因子、服务台因子和循环因子,在串并联多服务台情形下建立了4类计算机模拟模型,给出该复杂循环排队系统在进程调度中的应用并进行了计算机模拟.     

HL-2A托卡马克中性束辐射光谱的数值模拟

采用数值模拟的方法研究中性束辐射光谱(BES)对开展与中性束相关的光谱诊断与实验有重要的指导意义.本文在HL-2A托卡马克装置上利用ADAS数据库（Atomic Data and Analysis Structure,1998）计算有效束辐射系数和有效束衰减系数,分析了束辐射光谱强度与等离子体运行参数和中性束参数的关系,并在不同的中性束注入能量、等离子体密度分布和等离子体温度分布的情况下,获得了束辐射光谱强度的空间分布.在n_e=2×10¹³ cm< 关键词： 中性束 束辐射光谱 束衰减     

利用多层膜生长技术制备纳米印章模板

在纳米印章技术中，为克服电子束刻蚀制备50nm以下线条的技术难点，利用等离子增强化学 气相沉积技术制备了a-Si/SiN_x多层膜，再利用选择性湿法腐蚀或干法腐蚀在横 截面上制备出浮雕型一维纳米级模板. 多层膜子层之间界面清晰陡峭，可以在纳米量级对子 层厚度进行控制，得到了侧壁在纳米尺度上平滑的模板. 通过控制多层膜子层的生长时间， 制备出线条宽度和槽状宽度均为20nm的等间距模板，品质优于电子束刻蚀技术制备的模板. 关键词： 纳米印章模板 多层膜生长技术     

A Silicon Nanowire‐Based Electrochemical Sensor with High Sensitivity and Electrocatalytic Activity

A new kind of silicon nanowire (SiNWs)‐based nanoelectrode assembly, a gold‐nanoparticle‐decorated silicon nanowire array (AuNPs@SiNWsAr), is employed for the construction of high‐performance electrochemical sensors. Significantly, the electrochemical nanosensors are capable of sensitive detection of various electroactive molecules (e.g., dopamine (DA), ascorbic acid (AA), hydrogen peroxide (H₂O₂), and glucose). Further, DA molecules loaded on the surface of AuNPs@SiNWsAr preserve stable high electroactivity overnight without special protection, while free DA molecules may lose their biological activity due to severe oxidization in ambient environment. These findings may offer new opportunities for the design of high‐performance electrochemical nanosensors with high sensitivity and robust stability.     

Intrinsic properties of active sites for hydrogen production from alcohols without coke formation

The detailed reaction pathway and coke formation mechanism over Pt/metal oxide nanoparticles during the steam reforming of ethanol（SRE） at 300℃were studied.The catalysts were prepared by incipient wetness impregnation method and were characterized with CO pulse chemisorption, BET surface measurement,oxygen adsorption,ethanol-TPD,NH₃-TPD,and TPO.The SRE activity of the catalysts with steam/ethanol molar ratio of 3/1 was tested using a continuous fixed-bed reactor.Strong interaction between Pt and supports causes lower H₂ production temperatures and no C₂H₄ formation,while weak interaction leads to C₂H₄ formation and strong bonded CO on Pt particles during ethanol-TPD. H₂ production over Pt-based catalysts is mainly resulted from the decomposition and dehydrogenation of ethanol,and decarbonylation of acetaldehyde.Meanwhile,coke can be formed from acetaldehyde,acetone,C₂H₄ and CO.However,when the interaction between Pt and supports is weak,more coke is formed especially from acetone,C₂H₄ and CO.When the interaction is strong,no coke formation is observed due to high oxygen storage capacity of the catalyst.