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。     

Investigation of Relationships between Grain Structure and Inhomogeneous Deformation by Means of Laboratory-Based Multimodal X-Ray Tomography: Strain Accuracy Analysis

Experimental Mechanics - The internal strain distribution developing during plastic deformation is important for understanding the mechanical properties of polycrystalline materials. Such...     

A Nonclinical Spectroscopic Approach for Diagnosing Covid-19: A Concise Perspective

Journal of Applied Spectroscopy - With the COVID-19 outbreak, many challenges are posed before the scientific world to curb this pandemic. The diagnostic testing, treatment, and vaccine development...     

k-Hankel Gabor Transform and Its Applications to the Theory of Localization Operators

Analysis Mathematica - We introduce and study the k-Hankel Gabor transform. We investigate the localization operators for this transform. In particular, we study their trace class properties and we...     

Virtual Field Characterization for Ratcheting Effect Under Cyclic Loading

Experimental Mechanics - Ratcheting is an important mechanical behavior of metals and alloys, which is caused by the repeated accumulations of tensile and compressive strain in circle load....     

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...     

Vacuum Conditions and the Lifetime of a Single-Charged Helium Ion Beam in the Booster Synchrotron of the NICA (First Run)

JETP Letters - The results of the first run (December 2020) for the commissioning of the new superconducting synchrotron Booster at the Joint Institute for Nuclear Research are presented. Vacuum...     

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．     

Nonlinear Optical Properties of Novel Metallophthalocyanines

Journal of Applied Spectroscopy - Detailed measurements of nonlinear optical properties and optical limiting for four phthalocyanine (Pc) derivatives (PcCo, PcCu, PcMn, and PcSi) are reported. The...