Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system

The total energies of Laves phases in the Cr–Nb and Zr–Cr systems have been calculated by the pseudo-potential VASP code with a full relaxation of all structural parameters. The special quasirandom structures (SQSs) have been constructed and their total energies have been calculated by the VASP code to predict the enthalpies of mixing for bcc and hcp solid solution phases. The phonon calculations for the C14 and C15 Laves phases have been performed to analyze the phase stability at elevated temperatures. The experimental study on the Zr–Cr system has been carried out at different temperatures to determine the phase boundaries. Based on these results, thermodynamic models of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr systems have been developed in this work by using the CALPHAD approach.     

The effect of growth conditions,point defects and hydrogen on the electronic structure and properties of p-type (Al,N) codoped ZnO: A first principles study

The effects of point defects, hydrogen, and growth conditions on the electronic structure and properties of the (Al,N) codoped p-type ZnO have been investigated using the first principles method. The obtained results showed that the Al_Zn–N_O–V_Zn complex is a shallow acceptor that can play an important role in achieving the p-type conductivity in the (Al,N) codoped ZnO films. Our results showed also that the electrical conductivity type in the (Al,N) codoped ZnO films strongly depends on the donor/acceptor concentrations ratio. The codoped ZnO films prepared under both Zn-rich and O-rich growth conditions with a donors/acceptors ratio of 1:2 have a p-type conductivity, while those prepared with a ratio of 1:1 cannot be p-type unless if they are prepared under O-rich conditions. The achieved p-type quality depends also on the used nitrogen doping source. To prepare p-type ZnO film of high quality using the (Al,N) codoping method, the use of NO or NO₂ is recommended. The presence of donor defects such as oxygen vacancies and hydrogen will significantly affect the electronic properties of the (Al,N) codoped ZnO films, and if the concentration of these defects in the sample is high enough, the material can be easily converted to n-type.     

离心泵并联运行工况点的数值求解

建立了求解多台不同型号离心泵并联运行工况点的数学模型,给出了用数值计算中的“二分法”求解该模型的方法,并附有用Exce l计算的实例。     

丙烯腈装置回收塔内聚合物生成原因的分析

针对丙烯腈生产过程中回收塔内聚合物堵塞降液管造成回收塔运行周期短的问题,通过对丙烯腈回收塔内各组分分布的模拟计算,直观显示了回收塔内各组分的浓度分布,发现了回收塔的聚合段与丙烯醛的富集段相吻合的现象,初步得出了回收塔内局部聚合的原因;通过对塔内聚合物的特性分析和评判,进一步证实了“回收塔内局部聚合严重是由于在聚合段丙烯醛聚集引起”这一现象;根据模拟计算结果和实际运行经验,提出了预防聚合物堵塞降液管的措施,并进行了部分生产验证,为丙烯腈生产企业延长装置运行周期提供了理论指导。     

摩擦换向抽油机悬点运动分析计算

摩擦换向抽油机采用开关磁阻电动机或变频调速电动机,其特点是可以频繁双向旋转,带动摩擦轮正反转,实现光杆的上行下行。该抽油机运动特点与游梁式抽油机运动特点有较大区别,文章分析了摩擦换向抽油机的运动特点,给出了该机悬点位移、速度、加速度的计算方法。     

饼干炉湿度控制的改进方法

在大空间的温度控制系统中 ,采用简单的PID控制规律 ,对空间的温度、湿度进行解藕计算 ,将空间的相对湿度控制转化为送风含湿量的控制。该控制方式稳定、可靠 ,并且节约能源。本方法适用于所有的烘烤炉中     

连续梁的简便计算

利用三转角方程，对连续梁的内力进行精确的计算，该方法简捷明了，便于应用。     

多输入单输出逆高斯分布流域汇流模型

本文将逆高斯分布应用于由水库和区间组成的复杂的流域汇流系统，并建立了多输入单输出逆高斯单位线模型。讨论了模型参数的估计方法，并对沾益流域的雨洪资料进行了实例分析。     

纤维混凝土在水工建筑工程中的应用(上)

概述改性混凝土垢发展情况，介绍纤维混凝土在国内外水工建筑物上的应用实例，提出钢纤维增强钢筋混凝土水工建筑结构强度计算方法。包括受弯构件正截面强度，斜截面抗剪强度的计算；重点介绍了网状钢纤维增强混凝土（FOC）在水工建筑物上的应用，包括在渡槽，闸门，小型拦河坝，轻型岸型等工程上的应用实例，T新梁正斜截面的强度计算，板材承载力计算的方法。