Computer Simulation of the Structure and Propertiesof Nanocrystals

This paper provides a computer modeling method for the study of nanocrystals. Structural features,such as the boundary component proportion, the reduced density proportion, the excess lattice parameter, and the radial distribution function, have been atomistically simulated. The energy and elastic properties also have been investigated. Simulation results indicate that the structure of grain boundaries in nanocrystals is different from those of the amorphous and the gas, or rather, it is a special structure with some degree of short-range order. Moreover, the structure of crystallites is not entirely the same as that in the perfect crystal lattice. The present simulation method may become one of the foundations of the theoretical study of nanocrystals.     

A CALPHAD-type Young's modulus database of Ti-rich Ti–Nb–Zr–Mo system

Accurate Young's modulus is the necessity for the design of biomedical Ti alloys. A combinatorial method of the diffusion couple, nanoindentation, electron probe microanalysis (EPMA), and CALculation of PHAse Diagrams (CALPHAD) techniques has been utilized to construct the Young's modulus database of Ti alloys with various compositions in the present work. Two groups of body-centered cubic (bcc) Ti–Nb–Zr–Mo quaternary diffusion couples annealed at 1273 K for 25 h were experimentally prepared. Subsequently, the composition-dependent mechanical properties in the wide compositional range of Ti-based alloys were obtained by using EPMA and nanoindentation probes. Finally, on the basis of the measured Young's moduli in the present and previous work and the modeling parameters of Young's modulus of Ti–Nb–Zr system, the Young's modulus database of bcc Ti–Nb–Zr–Mo system was established through the CALPHAD approach. The CALPHAD-type database of bcc Ti–Nb–Zr–Mo system can provide the accurate Young's moduli of Ti alloys with wide compositions.     

Stability of Y-TZP during hydrothermal treatment: neutron experiments and stability considerations

The degradation of yttria-stabilised zirconia in humid atmospheres at temperatures around 250 °C is influenced by a number of microstructural parameters. The corrosive attack starts from the surface and is associated with the tetragonal to monoclinic transformation. In order to investigate structural changes chemically homogeneous single phase t-powders had been hydrothermally treated in a D₂O-atmosphere and subsequently investigated by neutron diffraction. Slight structural changes were observed after water treatment: a general contraction of both a and c parameters, hence, the “free” structural z(oxygen) parameter as well as the c/a-ratio are closer to the values of cubic zirconia. In this paper the structural changes due to the penetration of water radicals during hydrolysis are discussed. They give rise to stresses which then have an impact on the energy balance between the tetragonal and the monoclinic phase (martensitic transformations). Since the powder state can be assumed to be mostly free from macro-straining, the changes of the lattice constants were used to deduct a shape change tensor. Hence assuming linear elastic behaviour (isotropic elastic modulus of 200 GPa for both a surface grain and its environment) maximum stresses of 328 MPa for the a-axis and 488 MPa for the c-axis were found. Thus, water radicals basically lead to further tensile stresses in the surface which increase the energy difference between the t and m phase, i.e. a further destabilisation.     

熔融石英陶瓷的性能及其应用

介绍了石英陶瓷的性能特点、制备过程及应用领域     

Plaster of Paris activated supersulfated slag cement

Hydration and strength behavior of supersulfated cement produced by activating a granulated Indian blastfurnace slag by plaster of Paris has been investigated. It is shown that plaster of Paris is a better activator than the conventional hard burnt gypsum (anhydrite) at least for a class of blastfurnace slags which are ordinarily considered less than ideal for this purpose. The setting characteristics of the plaster of Paris activated slag were controlled by small additions of a set retarder which does not adversely affect the strength properties of the cement. X-ray analysis and DTA have been used to identify the hydration products, interpret the strength data, and to compare the plaster of Paris activated cement with anhydrite activated slag cement.     

A fuzzy neural network approach for online fault detection in waste water treatment process

In this paper, an effective strategy for fault detection of sludge volume index (SVI) sensor is proposed and tested on an experimental hardware setup in waste water treatment process (WWTP). The main objective of this fault detection strategy is to design a system which consists of the online sensors, the SVI predicting plant and fault diagnosis method. The SVI predicting plant is designed utilizing a fuzzy neural network (FNN), which is trained by a historical set of data collected during fault-free operation of WWTP. The fault diagnosis method, based on the difference between the measured concentration values and FNN predictions, allows a quick revealing of the faults. Then this proposed fault detection method is applied to a real WWTP and compared with other approaches. Experimental results show that the proposed fault detection strategy can obtain the fault signals of the SVI sensor online.     

The combining of sodium chloride and calcium chloride by a number of different hardened cement pastes

A non-destructive method is presented to study the combining properties of a number of hardened cement pastes for NaCl and CaCl₂. Cements hardened with solutions of NaCl and of CaCl₂ are equilibrated in solutions of these electrolytes in a special way. To interpret the results, the equilibrium between the pore solution and the hardened cement is taken as a general solid/solution equilibrium. The equilibrium between the pore solution and the equilibrating solution is considered to be a liquid/liquid equilibrium. That means that the equilibrium concentrations in the equilibrating solution and the pore solution are equaL. Thus it is possible to calculate the dependence of the amount of chloride combined by the cement on the total amount added to the cement.     

二硼化锆及其在耐火材料中应用

二硼化锆（ZrB2）具有高熔点、高硬度、高导热率等优点，是一种性能优异的高温结构材料．具有广泛的应用前景。本文从二硼化锆的性质和制备方法出发，对二硼化锆及其复合材料在各个领域，尤其在耐火材料领域的研究结果作一概述，并阐述了二硼化锆复合材料在性能和应用方面所面临的问题。     

Constitutive model for shape memory alloy torsion actuator

Shape memory alloy ( SMA) torsion actuator is one of the key approaches realizing adaptive wings in airplanes. In this paper,the actuator is made up of SMA wires and a thin-walled tube,in which the SMA wires are twisted and affixed around the surface of the tube at an angle referenced to the center axis of the tube. A thermo-mechanical constitutive model is developed to predict the thermo-mechanical behaviors of the SMA torsion actuator based on the knowledge of solid mechanics. The relationship between the torsion-angle and tem- perature is numerically calculated by using the thermo-mechanical constitutive model coupled with the SMA phase transformation model developed by Zhou and Yoon. The numerical results are compared with the relative experimental results finished by Xiong and Shen. Influences of the twist-angle of SMA wires and geometrical factors on the primary actuation performances of the SMA torsion actuator are also numerically investigated based on the thermo-mechanical constitutive model coupled with the SMA phase transformation model developed by Zhou and Yoon. Results show that the thermo-mechanical constitutive model can well predict the thermo-mechanical behaviors of the SMA torsion actuator.