Neutron powder diffraction and high-pressure synchrotron x-ray diffraction study of tantalum nitrides

Tantalum nitride(TaN) compact with a Vickers hardness of 26 GPa is prepared by a high-pressure and hightemperature(HPHT) method. The crystal structure and atom occupations of WC-type TaN have been investigated by neutron powder diffraction, and the compressibility of WC-type TaN has been investigated by using in-situ high-pressure synchrotron x-ray diffraction. The third-order Birch–Murnaghan equation of state fitted to the x-ray diffraction pressure–volume(P–V) sets of data, collected up to 41 GPa, yields ambient pressure isothermal bulk moduli of B'_0= 369(2) GPa with pressure derivatives of B 0= 4 for the WC-type TaN. The bulk modulus of WC-type TaN is not in good agreement with the previous result(B_0= 351 GPa), which is close to the recent theoretical calculation result(B_0= 378 GPa). An analysis of the experiment results shows that crystal structure of WC-type TaN can be viewed as alternate stacking of Ta and N layers along the c direction, and the covalent Ta–N bonds between Ta and N layers along the c axis in the crystal structure play an important role in the incompressibility and hardness of WC-type TaN.     

大型射流流化床气化炉的数学模拟Ⅰ.模型的建立

本文是在充分考虑了流动特性、质量平衡、能量平衡和动量平衡以后，建立了一个基于大型射流流化床气化炉（直径大于１米）的模型。通过与实验结果比较、证明该模型可用于大型气化炉的模拟工作。     

固态"绝对"不对称合成

光学活性生物分子的形成是世界进化历史中一个重要过程。"绝对"不对称合成, 即在没有任何外界手性诱导试剂作用下或在圆偏振光影响下的封闭体系中的不对称合成, 为前生物时期天然手性的成因提供了解释。本文将综述通过非手性分子形成的手性晶体的固相反应进行的"绝对"不对称合成。     

利用多个导流装置降低大后壁车辆气动阻力的实验研究

安装在车辆尾部1边和2边上的导流装置在降低大后壁车辆气动阻力中的作用和机理已在前面的实验中得出,为了搞清安装在车辆尾部3边和4边上的导流装置在降低大后壁车辆气动阻力中的作用和机理,本文利用1/16缩比的公共汽车模型及两种类型的导流装置,在一带有可移动地面和边界层吸收装置的开放型风洞中,进行了在车辆后端面的上、下、侧边的3边和4边分别安装导流装置时车辆后部尾流区的压强恢复及气动阻力降低的实验。对每一组合的导流装置,其与车辆表面的间隙尺寸是从0mm增加到5mm,间隔为1mm。通过对不同组合、不同间隙的导流装置的压强恢复效果和阻力降低效果的实验对比和分析,最终找出了能使车辆的气动阻力降低16%左右的最佳位置组合,为新型车辆的设计和改造提供了有利依据。     

三元铁基金属氮化物的高压复分解反应合成北大核心CSCD

以二元金属氧化物(氧化铁、氧化钴、氧化镍)和六方氮化硼为反应前驱体,在大腔体压机提供的高温高压条件下(5GPa、1 673K),通过发生复合高压固相复分解(HPSSM)反应合成组分可调控的三元铁基金属氮化物圆球状块体材料ε-Fe_(3-x)M_xN_(1+δ)(M=Co,Ni)。并利用X射线粉末衍射(XPD)、场发射扫描电子显微镜(FE-SEM)、高分辨率透射电子显微镜(HRTEM)等多种材料表征手段对高压合成的三元铁基金属氮化物进行结构表征,同时基于密度泛函理论(DFT)的第一性原理计算探究压力对HPSSM反应的影响。研究结果表明,高压密闭环境有利于制备高质量金属氮化物,HPSSM反应合成法是制备铁基金属氮化物块体材料的一种有效方法。     

Electronic Phase Diagram of Mixed-Valence Gold Chloride

A comprehensive electronic phase diagram is derived for mixed-valence gold chloride Cs2Au2Cl6 by means of high-pressure Raman spectroscopy. At all the temperatures investigated (100K≤T≤300 K), applications of pressure induce a phase transition from the mlxed-valence (MV) state to a single-valence (SV) state. In the SV state, a broad Au-Cl stretching band appears at～400 cm^-1 below ～200K. We have interpreted the appearance of the band in terms of formation of the AuX2^--like local lattice distortion, or the bipolarons.