硅和锗纳米线的原子排布和电荷分布的密度泛函紧束缚方法研究

低维硅锗材料是制备纳米电子器件的重要候选材料，是研发高效率、低能耗和超高速新一代纳米电子器件的基础材料之一，有着潜在的应用价值。采用密度泛函紧束缚方法分别对厚度相同、宽度在0.272 nm~0.554 nm之间的硅纳米线和宽度在0.283 nm~0.567 nm之间的锗纳米线的原子排布和电荷分布进行了计算研究。硅、锗纳米线宽度的改变使原子排布，纳米线的原子间键长和键角发生明显改变。纳米线表层结构的改变对各层内的电荷分布产生重要影响。纳米线中各原子的电荷转移量与该原子在表层内的位置相关。纳米线的尺寸和表层内原子排列结构对体系的稳定性产生重要影响。     

超声波燃气表矩形流道的雷诺修正系数仿真研究

在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关.     

Turing patterns induced by self-diffusion in a predator–prey model with schooling behavior in predator and prey

Nonlinear Dynamics - This article considers a reaction–diffusion predator–prey model with schooling behavior both in predator and prey species and subject to the homogeneous Neumann...     

基于气体浓度定量的嗅觉刺激器优化设计

现有的基于磁共振测量的嗅觉刺激器，通过调节嗅剂液体浓度的方法可以实现不同浓度的嗅觉刺激，但随着实验进行，受到嗅剂挥发以及实验环境（温度、湿度、气流量）变化的影响，很难确保输送至鼻腔的嗅剂气体浓度的稳定性，进而影响实验结果的准确性．本研究对本实验室前期开发的嗅觉刺激装置进行改进，实现了气体浓度精确定量．改进后的嗅觉刺激器主要分为三个部分：控制系统、反馈系统和气路系统．控制系统主要实现气路系统的送气控制和嗅剂气体浓度调节；反馈系统则负责对气体浓度进行测量；气路系统则在原有基础上添加活性炭装置，降低无关因素干扰．装置改进之后，不同气路切换时间为75.2 ms，比原装置减少了1 s，有效提高刺激精度．实验结果显示，气体浓度调节前，300 s内乙醇、吡啶、乙酸戊酯嗅剂气体浓度分别下降6.7%、71.4%、79.2%，嗅剂气体浓度短时间内发生较大改变．加入气体浓度调节功能后，当气体浓度下降至目标浓度的90%时，可通过调节气泵电压改变嗅剂气流与空气气流比例，从而调节嗅剂气体浓度至目标值，其中吡啶、乙酸戊酯用时13 s．     

Flow-induced shear stress and deformation of a core–shell-structured microcapsule in a microchannel

A numerical model was developed and validated to investigate the fluid–structure interactions between fully developed pipe flow and core–shell-structured microcapsule in a microchannel. Different flow rates and microcapsule shell thicknesses were considered. A sixth-order rotational symmetric distribution of von Mises stress over the microcapsule shell can be observed on the microcapsule with a thinner shell configuration, especially at higher flow rate conditions. It is also observed that when being carried along in a fully developed pipe flow, the microcapsule with a thinner shell tends to accumulate stress at a higher rate compared to that with a thicker shell. In general, for the same microcapsule configuration, higher flow velocity would induce a higher stress level over the microcapsule shell. The deformation gradient was used to capture the microcapsule's deformation in the present study. The effect of Young's modulus on the microcapsule shell on the microcapsule deformation was investigated as well. Our findings will shed light on the understanding of the stability of core–shell-structured microcapsule when subjected to flow-induced shear stress in a microfluidic system, enabling a more exquisite control over the breakup dynamics of drug-loaded microcapsule for biomedical applications.     

Visible-light-induced,autopromoted nickel-catalyzed three-component arylsulfonation of 1,3-enynes and mechanistic insights

Science China Chemistry - A light-induced, nickel-catalyzed three-component arylsulfonation of 1,3-enynes in the absence of photocatalyst is reported. This methodology exhibited mild conditions,...     

基于应变梯度理论的微尺度蜂窝等效模量计算方法

本文提出了一种新的能够计及尺度效应的微纳米蜂窝等效模量的计算方法。将一种单参数应变梯度理论引入到本构方程当中,并基于能量等效原理推导了蜂窝面内等效模量地计算公式。算例分析表明,本文方法能够有效地计及尺度效应对蜂窝等效模量的影响。尺度效应与胞壁厚度和长度的值都有关,当胞壁厚度较小时,尺度效应显著,本文方法预测的模量会明显高于传统方法;而当胞壁厚度较大时,尺度效应变得微弱乃至可以忽略不计。但如果胞壁的长度/厚度比很大,则面内等效模量会趋近于0,此时是否考虑尺度效应意义不大。     

Normal approximation and fourth moment theorems for monochromatic triangles

Given a graph sequence denote by T₃(G_n) the number of monochromatic triangles in a uniformly random coloring of the vertices of G_n with colors. In this paper we prove a central limit theorem (CLT) for T₃(G_n) with explicit error rates, using a quantitative version of the martingale CLT. We then relate this error term to the well-known fourth-moment phenomenon, which, interestingly, holds only when the number of colors satisfies . We also show that the convergence of the fourth moment is necessary to obtain a Gaussian limit for any , which, together with the above result, implies that the fourth-moment condition characterizes the limiting normal distribution of T₃(G_n), whenever . Finally, to illustrate the promise of our approach, we include an alternative proof of the CLT for the number of monochromatic edges, which provides quantitative rates for the results obtained in [7].