α-Fe和γ-Fe中氢扩散行为的第一性原理计算

采用基于密度泛函理论的第一性原理方法,研究了α-Fe和γ-Fe中氢扩散行为,建立了两相的H原子扩散系数与温度的关系式,对比了H原子在两相中扩散的难易程度,并结合2205双相不锈钢的氢致开裂试验对计算结果进行了实验验证.研究结果表明:H原子在α-Fe中所需扩散激活能较γ-Fe低,其容易在α-Fe的缺陷处聚集,并最终造成氢致开裂等严重后果;而2205双相不锈钢的HIC实验表明,裂纹在铁素体相中表现为穿晶型开裂,并且在传播过程中由于受到奥氏体相的阻碍,裂纹沿两相界面发展,表现出混合型开裂方式;综上所述,铁素体相更容易产生氢致裂纹,这进一步证实了本文计算结果的可靠性.     

The strain energy density ratio criterion for predicting cracking direction in composite materials

The strain energy density ratio criterion for predicting cracking direction incomposite materials is proposed.The Tsai-Hill criterion and Norris criterion ofcomposite materials are extended to predict the cracking direction in composites.Thethree criteria are used to analyse the crack propagation problem of the unidirectionalfibre composite sheet with various fibre directions.The predicted results are comparedwith those of the existing normal stress ratio criterion and strain energy densitycriterion.     

CF-2沸石的表面酸性及催化性能

CF-2是一种新型的高硅沸石。1981年我们实验室首先在二乙醇胺-甘油-Na₂O-SiO₂-Al₂O₃-H₂O体系中制备成功^[1],以后才见到关于Theta-1^[2],ISI-1^[3],KZ-2^[4],NO-10^[5]和ZSM-22^[6]沸石的报道。     

YAlO3∶Ce晶体的生长及性能研究

本文采用中频感应提拉法生长了尺寸为ø35 mm×70 mm的完整的YAlO₃∶Ce(YAP∶Ce)晶体。XRD测试结果表明所生长的YAP∶Ce晶体主相为YAP相,同时存在第二相YAG相;光致激发发射光谱表明晶体发射波长在344 nm和376 nm,激发波长分别为273 nm、290 nm和305 nm;X射线激发发射光谱表明晶体发射波长在377 nm附近;在γ高能射线激发下,晶体衰减时间曲线呈指数衰减,拟合后得到YAP∶Ce晶体的衰减时间为46 ns,通过高斯拟合以后YAP∶Ce晶体的能量分辨率和绝对光产额分别为8.51%和8 530 ph/MeV。本文分析了晶体生长过程中产生开裂和相变的原因,通过优化温场和工艺可以得到完整无开裂的晶体。如何获得更大尺寸的无开裂、无相变晶体,并实现量产是该晶体规模化应用中需要解决的重要技术难题。     

基于声发射矩张量分析混凝土破坏的裂纹运动

从细观上看, 混凝土是一种由骨料、水泥浆基体、裂纹等组成的非均匀复合材料. 单轴准静态加载条件下, 应力应变曲线表现出明显的准脆性特征. 其变形破坏过程实质上是内部微裂纹产生、扩展和汇合的过程, 研究细观尺度的裂纹扩展演化将有助于深入了解混凝土的变形和破坏过程. 声发射作为一种物理检测方法可以获取材料内部细观损伤演化的物理信息. 本文基于声发射技术, 结合改进的时差定位算法和矩张量理论对声发射信号进行分析, 反演了混凝土巴西劈裂破坏中裂纹位置、裂纹类型以及裂纹面运动方向, 揭示了混凝土宏观拉伸破坏的细观裂纹扩展机制. 结果表明: 裂纹运动过程清晰地显示了混凝土内裂纹源首先在试件与载荷接触面附近产生, 之后聚集形成局部损伤区域, 并沿轴线向中心扩展(加载平面)以及裂纹从试件中间向表面扩展的动态过程(厚度方向); 裂纹运动体积可以作为裂纹形成、扩展过程中弹性能释放的度量, 初始裂纹成核时体积参数较小, 峰值载荷时, 裂纹运动体积最大达到$5.93\times10^{-4}$ mm$^{3}$; 混凝土宏观尺度的拉伸破坏在细观尺度上存在有拉伸裂纹、混合裂纹以及剪切裂纹; 拉伸裂纹最多, 占裂纹总数约为60%, 剪切裂纹最少, 约占裂纹总数的10%; 拉伸裂纹运动主导了试件的宏观劈裂破坏.      

Élaboration de catalyseurs à base de bentonite et de kieselguhr pour le craquage catalytique des coupes pétrolières

Different bentonite/kieselguhr mixtures with different mass ratios have been prepared and characterized in order to assess their physical and chemical properties. In the first place, the catalytic cracking properties of these mixtures are evaluated on simple molecules used as models, then a petroleum fraction is treated with the same mixtures. A 30/70 bentonite/kiesiguhr mass ratio gives interesting results, which shows that such catalysts are still worth considering from the environmental standpoint.     

Full notch creep test (FNCT) of PE-HD – Characterization and differentiation of brittle and ductile fracture behavior during environmental stress cracking (ESC)

The damage mechanisms slow crack growth (SCG) and environmental stress cracking (ESC), relevant for PE-HD materials are characterized based on improved full notch creep testing (FNCT) of two selected typical PE-HD materials for container applications. In this context, a distinction of the failure mechanisms as well as a categorization of involved media is suggested. Employing a novel FNCT device, elongation data were obtained in addition to conventional time-to-failure results of stress-dependent as well as temperature-dependent measurements. Changes in failure behavior, as determined by fracture surface analysis based on light microscopy (LM) and laser scanning microscopy (LSM), are correlated with FNCT results and used to introduce an additional possibility for the identification of brittle/ductile fracture behavior.     

Modeling segmentation cracking of a brittle coating due to underneath periodic eigenstrains

The formation mechanism for a segmented Cr coating by the hybrid technique of laser pre-quenching steel substrate plus post-electroplating was investigated. The discrete laser quenched zones (LQZs) were modeled as multiple inclusions with prescribed eigenstrains. The stress field was determined to account for the onset of segmentation cracking. Also addressed was segmentation crack growth through the evaluation of the stress intensity factor (SIF). The computations were implemented by using the finite element (FE) method. The dependence of a wide range of dimensionless variables of interest on both the stress field and SIF was assessed through a detailed parametric study.     

ZSM-5分子筛的合成及其在丁烯催化裂解反应中的应用

采用水热合成法制备了无模板剂ZSM-5分子筛并用正硅酸甲酯(TMOS)对其进行外表面修饰改性,利用XRD、SEM、~(29)Si MAS NMR、~(27)Al MAS NMR、NH_3-TPD、BET和UV-vis DRS对合成分子筛的物相、形貌和酸性等进行了表征,并将其应用于催化丁烯裂解反应。研究表明,经水热合成的无模板剂ZSM-5结晶度较好,与添加模板剂合成的ZSM-5拥有相似的孔道结构和晶体结构以及相近的酸量,但在酸中心分布上有明显差异:孔道内酸中心数量增加且分布更加均匀,孔道交叉处酸中心数量减少;经过外表面修饰改性后,ZSM-5分子筛外表面部分不具备择形性的酸中心被钝化,使其择形选择能力增强。在催化丁烯裂解反应中,用TMOS进行外表面修饰改性的无模板剂ZSM-5分子筛作为催化剂能够有效抑制副反应的发生,丙烯和乙烯的总收率高达58%。