Role of Co in formation of Ni-Ti clusters in maraging stainless steel

The effect of Co addition on the formation of Ni-Ti clusters in maraging stainless steel was studied by three dimensional atom probe (3DAP) and first-principles calculation. The cluster analysis based on the maximum separation approach showed an increase in size but a decrease in density of Ni-Ti clusters with increasing the Co content. The first-principles calculation indicated weaker Co-Ni (Co-Ti) interactions than Co-Ti (Fe-Ti) interactions, which should be the essential reason for the change of distribution characteristics of Ni-Ti clusters in bcc Fe caused by Co addition.     

金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

Zinc doped Fe2O3 for boosting Electrocatalytic Nitrogen Fixation to ammonia under mild conditions

Artificial nitrogen fixation is emerging as a promising approach for synthesis of ammonia at mild conditions. Inspired by biological nitrogen fixation based on bacteria containing iron, zinc doped Fe₂O₃ nanoparticles are proposed as an efficient and earth abundant electrocatalyst for converting N₂ to NH₃. In neutral media, it achieves a maximum Faradaic efficiency (FE) of 10.4% and a large NH₃ yield rate of 15.1 μg h^?1 mg^?1_cat. at ?0.5 V vs. reversible hydrogen electrode. This catalyst also exhibits excellent selectivity and stability. Theoretical calculations suggest the reaction follows the associative enzymatic mechanism and it has a barrier of as low as 0.68 eV.     

A first-principles investigation on mechanical and metallic properties of titanium carbides under pressure

The titanium carbides are potential candidates to achieve both high hardness and refractory property. We carried out a structural search for titanium carbides at three pressures of 0 GPa, 30 GPa and 50 GPa. A phase diagram of the Ti-C system at 0 K was obtained by elucidating formation enthalpies as a function of compositions, and their mechanical and metallic properties of titanium carbides were investigated systematically. We also discussed the relation of titanium concentration to the both mechanical and metallic properties of titanium carbides. It has been found that the average valence electron density and tractility improved at higher concentrations of titanium, while the degree of covalent bonding directionality decreased. To this effect, the hardness of titanium carbide decreases as the content of titanium increases. Our results indicated that the titanium content significantly affected the metallic properties of the Ti-C system.     

现场总线在冶炼烟气制酸系统中的应用实践

分析了冶炼烟气制酸工艺的特点，介绍了由PROFIBUS-DP现场总线构建的冶炼厂烟气制酸监控系统，详细介绍了其硬件配置及相应的软件设计。     

数字化蓄热式钢包烘烤器及自动控制系统

蓄热式燃烧技术和脉冲燃烧技术是新型的节能环保燃烧技术。数字化蓄热式钢包烘烤器控制系统利用数字化脉冲控制把这两项技术结合在一起。这大大降低了能耗，减少环境污染。本文针对数字化蓄热式钢包烘烤器，提出升温阶段采用自寻优算法，不断调整换向时间，并能记忆最优参数，保证经过几次烘烤后系统整体最优；保温阶段即采用脉冲控制的方法。     

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。     

Scalable and Structured Scheduling

Scheduling a program (i.e. constructing a timetable for the execution of its operations) is one of the most powerful methods for automatic parallelization. A schedule gives a blueprint for constructing a synchronous program, suitable for an ASIC or VLIW processor. However, constructing a schedule entails solving a large linear program. Even if one accepts the (experimental) fact that the Simplex is almost always polynomial, the scheduling time is of the order of a large power of the program size. Hence, the method does not scale well. The present paper proposes two methods for improving the situation. First, a large program can be divided into smaller units (processes), which can be scheduled separately. This is structured scheduling. Second, one can use projection methods for solving linear programs incrementally. This is specially efficient if the dependence graph is sparse.     

地统计克立格插值法在工程土方计算中的应用

土方计算是工程中经常碰到的问题。尝试利用地统计学的克立格插值法来计算土方，将其应用于余姚市泗门镇土地整理工程中进行实测试验。介绍了其基本的原理和公式，并与利用数字高程模型计算得到的土方工程量进行了比较，发现地统计插值法可较精确地确定设计标高和土方量，证明该方法的可行性和优越性。