The structure and electronic property of the smallest C20‐glycine and Gd‐encapsulated C20‐glycine derivatives with potentially biological activity

Theoretical calculations on interaction of the C₂₀ fullerene (consists solely by pentagons) with the smallest amino acid (glycine) were carried out using density‐functional theory method. The glycine molecule energetically prefers to interact with the Top‐site on the C₂₀ cage via its amino nitrogen (N) active site. The stable ordering of three active sites on glycine molecule is NH₂‐site > O‐site > OH‐site. Moreover, when the Gd atom is encapsulated to the center of C₂₀‐glycine, the cage volume obviously increase ～24.8%; and the endohedral atom induces the generation of two strong bands in the partial density of states spectra, which could cause the effect on optical properties. Additionally, it is also found that the modified C₂₀‐glycine derivative by Gd atom can reduce the thermodynamic and kinetic stabilities. It could be expected that the study may provide a theoretical reference in exploring their intrinsic feature structurally to antitumor activity. © 2012 Wiley Periodicals, Inc.     

Experimental Study of Effect of Temperature Variations on the Impedance Signature of PZT Sensors for Fatigue Crack Detection

Structural health monitoring (SHM) is recognized as an efficient tool to interpret the reliability of a wide variety of infrastructures. To identify the structural abnormality by utilizing the electromechanical coupling property of piezoelectric transducers, the electromechanical impedance (EMI) approach is preferred. However, in real-time SHM applications, the monitored structure is exposed to several varying environmental and operating conditions (EOCs). The previous study has recognized the temperature variations as one of the serious EOCs that affect the optimal performance of the damage inspection process. In this framework, an experimental setup is developed in current research to identify the presence of fatigue crack in stainless steel (304) beam using EMI approach and estimate the effect of temperature variations on the electrical impedance of the piezoelectric sensors. A regular series of experiments are executed in a controlled temperature environment (25°C–160°C) using 202 V1 Constant Temperature Drying Oven Chamber (Q/TBXR20-2005). It has been observed that the dielectric constant ε₃₃^T which is recognized as the temperature-dependent constant of PZT sensor has sufficiently influenced the electrical impedance signature. Moreover, the effective frequency shift (EFS) approach is optimized in term of significant temperature compensation for the current impedance signature of PZT sensor relative to the reference signature at the extended frequency bandwidth of the developed measurement system with better outcomes as compared to the previous literature work. Hence, the current study also deals efficiently with the critical issue of the width of the frequency band for temperature compensation based on the frequency shift in SHM. The results of the experimental study demonstrate that the proposed methodology is qualified for the damage inspection in real-time monitoring applications under the temperature variations. It is capable to exclude one of the major reasons of false fault diagnosis by compensating the consequence of elevated temperature at extended frequency bandwidth in SHM.     

不同燃烧状态飞火颗粒自由燃烧规律研究

飞火是开放空间中大尺度火灾非连续性蔓延的主要形式。本文通过不同热流下的木质飞火颗粒自由燃烧实验,揭示不同燃烧状态飞火颗粒的结构变形、质量损失及温度分布的变化规律。研究表明,颗粒结构变形受材料化学反应机制和热机械力作用共同影响;颗粒燃烧反应易造成热解气体的内部积聚,以致内压激增、诱发喷射或喷溅细小颗粒的现象;阴燃过程颗粒表面温度变化较小但持续时间很长,明火状态的颗粒持续高温并且温度与质量变化剧烈。     

A new tool for finding approximate symmetry

A new method for identifying and visualizing approximate symmetry in molecular crystals is discussed.     

CLASSROOM DEMONSTRATION OF EXPERIMENT IN STRUCTURAL MECHANICS TEACHING1)

实验教学是很多理工科课程的重要教学环节,但是很多课程的实验教学模式还不够成熟,且开设困难。针对这一问题,本文以结构力学课程为例,分析当前高校结构力学实验开设难、开设少的原因,对比了几种典型实验方式的优劣。重点讨论了课堂演示实验的优势和实施办法,探索并列举了诸多简便易行的课堂演示实验案例。实践表明,课堂演示模型用日常简易材料制成,易于调动学生的参与积极性,同时增强学生的动手能力及理论联系实际的能力。最终提出了多种实验方式相结合的结构力学实验模式,可为当前高校结构力学和相关课程的课堂教学及实验环节提供借鉴。     

Inorganic chemistry under high pressure

Abstract

In inorganic chemistry High Pressures can act as thermodynamic parameter and through the compression effect. Such effects can help the synthesis of new materials or induce specific properties. Such High Pressures studies are a great help for a better understanding of the chemical bonding and in field of resarches aimed at applications.     

Simultaneous differential thermal and volume analysis at high pressure

Abstract

A method for simultaneous measurement of heat and volume changes associated with phase transformations is presented. Examples for melting, polymorphism and structural relaxation illustrate the method.