同主族C-Si共掺杂TiO2可见光区光催化性能的第一性原理计算

本文利用密度泛函理论（DFT）第一性原理平面波超软赝方法对C-Si共掺杂TiO2电子结构、差分电荷密度和光学特性进行了研究,计算结果表明,共掺杂能明显降低体系的带隙(约为1.7eV)。能有效增加其光催化活性;从总态密度图可以得到,费米能级附近的杂质态降低了载波跃迁能。C-Si的共掺杂能有效提高其在可见光区域的吸收系数,特别是在三种不同的构型中,第三构型在可见光区域具有最大吸收系数。     

上海环球金融中心顶部风速和加速度实测

基于2011-2016年上海环球金融中心(SWFC)顶部风速和加速度的长期监测数据,对动力响应和动力特性进行了分析.采用包络线随机减量的方法计算超高层建筑的水平向一阶自振频率与一阶阻尼比,分析结构动力响应随风速的变化规律以及动力特性随振幅的变化规律.结果表明:上海环球金融中心顶部加速度标准差随平均风速呈幂函数形式增加,一阶自振频率随顶部振幅的增加而减小,一阶阻尼比随顶部振幅的增加而增加.     

正交试验法优化导电聚吡咯驱动器制备工艺参数

导电聚合物具有广泛的应用前景,为制备出高性能的导电聚合物驱动器材料,现采用正交实验法对导电聚吡咯(PPy)的制备工艺参数进行优化,其中以吡咯为聚合单体,聚偏二氟乙烯(PVDF)为基材,双三氟甲烷磺酰亚胺锂(Li+TFSI-)为掺杂剂,通过磁控溅射—电化学沉积方法制备获得三层结构的聚吡咯驱动器材料.以1 V,2 V驱动电压下的位移大小为考察指标,采用正交试验法分析制备过程中电流密度、吡咯浓度、聚合时间及温度等因素对驱动器材料位移性能的影响.试验结果表明:对制备PPy位移性能影响的最大的因素是电流密度,最佳工艺参数组合为:A3B1C3D2.即电流密度可选择为0.15 mA/cm~2,吡咯浓度为0.1 mol/L,聚合温度由于影响不大可采用-25~-35℃之间的温度,聚合时间可选10 h.     

硬质合金YG8与D6A异种金属CO_2激光焊接接头组织和性能的研究

利用CO_2激光器对双金属带锯条齿部用硬质合金YG8及背部用超高强度钢D6A进行焊接,通过金相显微镜,扫描电镜(SEM),显微硬度仪,电子显微探针(EPMA)等手段研究了焊后硬质合金YG8与超高强度钢D6A焊接接头组织演变规律,焊接接头合金元素分布,以及不同焊接工艺对异种金属焊接接头组织及力学性能的影响.研究表明,随着焊接速度增大,焊缝中心区等轴晶增多,树枝晶减少,且靠近YG8侧熔合区的等轴晶更细小;各种工艺条件下焊接接头硬度均较母材高,且靠近YG8侧的熔合区的硬度要高于焊缝区的硬度.当焊接功率为3 960 W,焊接速度为9m/min时,焊接接头的性能优良,抗弯强度值达到349 MPa,达到双金属带锯条的焊接性能要求.     

挤压温度对Mg-3Zn-2.5Al-2.5Ca合金的微观组织和力学性能的影响

采用金相分析、扫描电镜分析、X射线衍射分析和拉伸测试等方法研究了不同挤压温度对Mg-3Zn-2.5Al-2.5Ca(ZAC333)合金的微观组织和力学性能的影响.结果表明,铸态组织的平均晶粒尺寸为185μm;随着挤压温度从623K降低到523K,由于发生了明显的动态再结晶,合金的平均晶粒尺寸从6.32μm减小到3.36μm.ZAC333铸态合金中沿着晶界分布的半连续Al_2Ca和连续Ca_2Mg_6Zn_3第2相在热挤压过程中也发生了明显的破碎而沿着挤压方向分布.与铸态合金的力学性能相比,挤压态ZAC333合金的力学性能有明显的提高.挤压态合金的抗拉和屈服强度分别从176 MPa和284 MPa提高到292 MPa和334 MPa,而延伸率从18%降低到9%.ZAC333合金性能的改善主要归功于热挤压过程中的动态再结晶细晶强化和第2相粒子破碎而产生细化弥散强化的共同作用.     

Effect of hot-dip galvanizing processes on the microstructure and mechanical properties of 600-MPa hot-dip galvanized dual-phase steel

A C-Mn dual-phase steel was soaked at 800℃ for 90 s and then either rapidly cooled to 450℃ and held for 30 s (process A) or rapidly cooled to 350℃ and then reheated to 450℃ (process B) to simulate the hot-dip galvanizing process. The influence of the hot-dip galvanizing process on the microstructure and mechanical properties of 600-MPa hot-dip galvanized dual-phase steel (DP600) was investigated using optical microscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and tensile tests. The results showed that, in the case of process A, the microstructure of DP600 was composed of ferrite, martensite, and a small amount of bainite. The granular bainite was formed in the hot-dip galvanizing stage, and martensite islands were formed in the final cooling stage after hot-dip galvanizing. By contrast, in the case of process B, the microstructure of the DP600 was composed of ferrite, martensite, bainite, and cementite. In addition, compared with the yield strength (YS) of the DP600 annealed by process A, that for the DP600 annealed by process B increased by approximately 50 MPa because of the tempering of the martensite formed during rapid cooling. The work-hardening coefficient (n value) of the DP600 steel annealed by process B clearly decreased because the increase of the YS affected the computation result for the n value. However, the ultimate tensile strength (UTS) and elongation (A₈₀) of the DP600 annealed by process B exhibited less variation compared with those of the DP600 annealed by process A. Therefore, DP600 with excellent comprehensive mechanical properties (YS=362 MPa, UTS=638 MPa, A₈₀=24.3%, n=0.17) was obtained via process A.     

Tribological behavior of CrN-coated Cr-Mo-V steels used as die materials

DIN 1.2343 and 1.2367 steels are commonly used as die materials in aluminum extrusion, and single/duplex/multi-coatings enhance their surface properties. The design of an appropriate substrate/coating system is important for improving the tribological performance of these steels under service conditions because the load-carrying capacity of the system can be increased by decreasing the plastic deformation of the substrate. In this study, the tribological behavior of CrN-coated Cr-Mo-V steels (DIN 1.2343, 1.2367, and 1.2999 grades) was investigated using different setups and tribological pairs at room and elevated temperatures. The aim of this study was to reveal the wear resistance of a suggested system (1.2999/CrN) not yet studied and to understand both the wear and the failure characteristics of coated systems. The results showed that (i) among the steels studied, the DIN 1.2999 grade steel exhibited the lowest friction coefficient because it had the highest load-carrying capacity as a result of secondary hardening at elevated temperatures; (ii) at room temperature, both abrasive tracks and adhesive layers were observed on the worn surfaces; and (iii) a combination of chemical reactions and progressive oxidation caused aluminum adhesion on the worn surface, and the detachment of droplets and microcracking were the characteristic damage mechanisms at high temperatures.     

退火温度对Fe_(73.5)Co_(0.3)Cu_1Nb_3Si_(14.2)B_8合金带材磁性能的影响

用单辊法制备的宽为20 mm,厚为25μm的Fe_(73.5)Co_(0.3)Cu_1Nb_3Si_(14.2)B_8合金带材,绕制成外径为40 mm,内径为25 mm的环型磁芯,再将磁芯进行退火处理。分析了合金带材的晶化行为,研究了退火温度对合金磁芯磁性能的影响。结果表明,淬火态Fe_(73.5)Co_(0.3)Cu_1Nb_3Si_(14.2)B_8合金带材为非晶态,一级起始晶化温度T_(x1)为512.8℃,二级起始晶化温度T_(x2)为671.9℃,当退火温度升高到550℃,在非晶基体中析出Fe(Si)软磁相,形成了非晶和纳米晶双相共存结构。当退火温度低于550℃时,随着退火温度的升高,合金磁芯的初始磁导率μ_i和饱和磁感应强度Bs增大,矫顽力Hc减小;当测试频率f和最大磁感应强度Bm不变时,合金磁芯的有效幅值磁导率μ_a增大,比总损耗Ps和交流矫顽力Hc减小;当测试频率f不变时,合金磁芯的电感Ls和品质因数Q增大。     

液态Cu64Zr36合金的结构及动力学模拟

采用第一性原理分子动力学方法,对液态Cu64Zr36合金进行了模拟,并计算了径向分布函数、均方位移和中间自散射函数.结果表明：随温度降低,体系的结构更加有序;温度降低致使Cu64Zr36合金体系的动力学减慢.     

La-Mg-Ni系A2B7型贮氢合金表面包覆铜及其电化学性能

以A2B7型贮氢合金La1.5Mg0.5Ni7为研究对象,研究未包覆和表面包覆Cu以及对包覆铜的贮氢合金进行再包覆Ni、Co处理的合金电极电化学性能.实验结果表明,表面包覆Cu和Cu-Ni后的贮氢合金电极循环稳定性有所提高,而包覆Cu-Co的合金电极稳定性较差,但电极容量有所提高.线性极化扫描和电化学阻抗图谱分析结果表明,包覆Cu、Cu-Co及Cu-Ni处理改善合金电极的交换电流密度I0,降低电化学阻抗,说明包覆处理改善合金表面的电催化活性,加快合金表面电荷的迁移速率,从而提高高倍率放电能力.