Structure Refinement of the Icosahedral AIPdMn Quasicrystal Using Quantitative CBED

The atomic structure of the pcrfect AIPdMn icosahedral phase has been studied on a single crystal specimen by quantitative convergent beam electron diffraction (QCBED) technique in combination with describing the shape of atomic surface by symmetry adapted series of surface harmonics. The spherical model was used as the starting model for the refinement. By fitting the calculated electron diffraction intensities to the experimental line scan profile, the coefficients in the surface harmonics expansion of the boundaries of atomic surface are refined. The refined parameters show that the fluctuations of the external boundary of atomic surface for Pd at n0 can be as large as 0.2 nm. The boundaries of atomic surfaces for Mn show little fluctuation. In the present model. the number of unphysically short interatomic distances is significantly reduced in comparison with the spherical model.     

AlB12纳米/亚微米球形材料的制备与表征

以金属铝(Al)粉末和三氯化硼(BCl3)分别作为铝源和硼源前驱体,在无催化剂的情况下,利用简单的一步化学气相沉积方法在Si衬底上(蒸发位)制备了AlB12纳米/亚微米球形材料.利用扫描电镜和透射电镜表征了AlB12微结构材料的形貌、成分和结构.结果表明:所合成的材料均为球形的纳米/亚微米球材料,直径范围约0.2～2.5μm;从直径分布统计直方图可知平均直径约0.97μm.高分辨透射电镜(HRTEM)分析发现,材料中没有规则的干涉条纹出现,为典型的非晶结构;选区电子衍射(SAED)表明,材料无规则衍射斑点,为典型的非晶结构相,与HRTEM分析结果一致;能谱结果表明,Al和B的原子百分比为11.9,与A1B12的化学计量比符合很好.850℃高温状态下,AlB12纳米/亚微米颗粒的直径随着反应时间的增加而增大.     

基于球面调和函数与距离场的柔性体碰撞检测方法

 针对虚拟现实中柔性体碰撞检测实现的复杂性,提出一种基于球面调和函数（SH）的柔性体距离场碰撞检测方法。该方法利用SH的多尺度特性实现柔性体距离场的快速建立,依据距离场碰撞检测方法实现交互工具与虚拟柔性体的快速碰撞检测,并沿着距离的梯度方向进行柔性碰撞响应的快速估计。结果表明,相对于传统的距离场碰撞检测算法,该方法可大大节省内存占用量并有效实现交互工具与柔性体的碰撞检测,碰撞检测时间在毫秒级范围内,满足柔性体碰撞检测的实时性要求。     

球形氧化镍粉末对乙醇的电催化性能的研究

通过水热-热分解法制备球形介孔氧化镍粉末,并采用X射线衍射、扫描电镜、透射电镜和比表面积仪对氧化镍粉末的形貌和结构进行表征;通过循环伏安法、计时电流法和电化学阻抗谱的测试,系统研究该种粉末在碱性介质中对乙醇的电催化氧化活性.结果表明：所得到的氧化镍粉末为球形,比表面积为35 m2·g-1,平均孔径为15.88 nm;该粉末对乙醇具有良好的催化活性,氧化电流随乙醇浓度和扫描速率的增大而增大,在0.60 V电位下保持1000 s,球形多孔氧化镍对乙醇氧化催化的电流衰减率为0.075%,稳定性比较好.循环伏安法、计时电流法和电化学阻抗谱测试表明,球形介孔NiO/玻碳电极( NiO/GCE)对乙醇的催化氧化反应机理为扩散控制.     

深冷处理对Inconel 617合金组织和力学性能的影响

深冷处理方法由于操作简单,价格低廉且对材料性能改善明显目前被广泛应用.采用深冷处理方法对Inconel 617合金进行了不同处理时间和次数条件下的试验.利用扫描电子显微镜(SEM)、电子背散射衍射(EBSD)、透射电子显微镜(TEM)分析了Inconel 617合金的微观组织结构,采用万能拉力试验机进行了室温下的拉伸试验.结果表明:深冷处理后Inconel 617合金的晶粒尺寸得到了细化.单次深冷处理12、24 h后合金的小角度晶界分数增大,这有助于合金拉伸强度和塑性的提高.但是深冷处理后合金中析出了大量的碳化物,降低了其强度.     

1Cr18Ni9Ti不锈钢剪切变形诱发的表面纳米化

对1Cr18Ni9Ti板材进行球磨处理,利用光学显微镜、X射线衍射和透射电镜研究剪切变形方式下深度方向的组织演变.结果表明,剪切变形可以在1Cr18Ni9Ti中诱发表面纳米化,其过程包括:奥氏体内通过位错的增殖、运动、湮灭和重组形成具有亚微米尺度的、取向差较小的位错胞;位错胞壁不断吸收位错而转变成小角度和大角度晶界,将原始粗晶分割成亚微晶;应变量和应变速率的增加诱发机械孪生,形成纳米量级的板条状马氏体;细化组织重复上述过程使晶粒尺寸减小、取向差增大,最终形成等轴状、取向呈随机分布的纳米晶组织.外力作用方向并未改变纳米化过程,但会影响变形层的厚度.     

热轧态与回火态 AH80 DB 低碳贝氏体钢组织与冲击韧性

采用光学显微镜、扫描电子显微镜和透射电子显微镜对热轧态和回火态AH80DB低碳贝氏体钢的显微组织、马氏体/奥氏体( M/A)岛、第二相的析出行为以及晶界取向差、有效晶粒尺寸进行研究,揭示回火后低碳贝氏体钢冲击韧性得到改善的原因.结果表明：两种试样的组织均由板条状贝氏体、粒状贝氏体和针状铁素体组成,其中回火态试样中针状铁素体组织较多.热轧态钢中存在较大尺寸M/A岛且呈方向性分布,大角度晶界比例占17.33%,有效晶粒尺寸为3.57μm;而回火态钢中M/A岛的尺寸较小,大角度晶界比例增加3.43%,有效晶粒尺寸减小0.56μm.热轧态钢中析出相主要是( Nb,Ti) C,尺寸在50~150 nm之间,回火态试样中析出较多细小的球状( Nb,Ti) C析出相,尺寸在10 nm左右.     

基于光照子空间的人脸识别研究

利用球面谐波模型建立的9D光照子空间进行人脸识别.用SFS方法获得人脸表面特征点深度,以特征点深度为基础,用NURBS方法重构三维人脸,并用该三维人脸的法向量计算球面谐波基图像,进行人脸识别.结果表明,以所求的球面谐波基图像为基础进行人脸识别,不仅提高了人脸表面法向量的精度,减少了运算量,而且使得人脸的识别率明显提高....     

Precipitation of spherical boehmite from concentrated sodium aluminate solution by adding gibbsite as seed

The precipitation of spherical boehmite was studied by surface energy calculations, measurements of precipitation ratios, Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. The surface energy calculation results show that the (001) and (112) planes of gibbsite surfaces are remarkably stable because of their low surface energies. In addition, the (010) plane of boehmite grows preferentially during precipitation because of its low surface energy. Thus, we propose a method to precipitate spherical boehmite from a supersaturated sodium aluminate solution by adding gibbsite as seed in a heterogeneous system. In this method, gibbsite acts as the preliminary seed and saturation modifier. The results show that the fine boehmite first nucleates on the (001) and (112) planes of gibbsite and then grows vertically on the (001) and (112) basal planes of gibbsite via self-assembly, thereby forming spherical boehmite. Simultaneously, gibbsite is dissolved into the aluminate solution to maintain the saturation for the precipitation of boehmite. The precipitation ratio fluctuates (forming an M-shaped curve) because of gibbsite dissolution and boehmite precipitation. The mechanism of boehmite precipitation was further discussed on the basis of the differences in surface energy and solubility between gibbsite and boehmite. This study provides an environmentally friendly and economical method to prepare specific boehmite in a heterogeneous system.     

Free R value: a novel statistical quantity for assessing the accuracy of crystal structures

The determination of macromolecular structure by crystallography involves fitting atomic models to the observed diffraction data. The traditional measure of the quality of this fit, and presumably the accuracy of the model, is the R value. Despite stereochemical restraints, it is possible to overfit or 'misfit' the diffraction data: an incorrect model can be refined to fairly good R values as several recent examples have shown. Here I propose a reliable and unbiased indicator of the accuracy of such models. By analogy with the cross-validation method of testing statistical models I define a statistical quantity (R(free) (T) that measures the agreement between observed and computed structure factor amplitudes for a 'test' set of reflections that is omitted in the modelling and refinement process. As examples show, there is a high correlation between R(free) (T) and the accuracy of the atomic model phases. This is useful because experimental phase information is usually inaccurate, incomplete or unavailable. I expect that R(free) (T) will provide a measure of the information content of recently proposed models of thermal motion and disorder, time-averaging and bulk solvent.     

钒对高强度汽车大梁钢组织细化的影响

利用Gleeble-3500热模拟试验机、扫描电镜、透射电镜、电子背散射衍射技术等手段研究V对700 MPa级高强度汽车大梁钢组织细化的影响.在冷却速度2~7℃·s-1时,显微组织为针状铁素体+粒状贝氏体组织.V添加提高粒状贝氏体体积分数,细化粒状贝氏体组织,并明显降低粒状贝氏体中M/A岛的尺寸.与无V钢相比,含V钢中大角度晶界比例提高18.2%,对提高钢的韧性有利.由于C含量过低,在实验钢中未观察到单独的VC析出,由此推测V主要固溶在基体中,以合金化方式促进钢的贝氏体相变,使组织得到有效细化.     

Precipitation behavior and grain refinement of burnishing Al-Zn-Mg alloy

Burnishing is a unique strengthening approach to improve the strength of surface layer and remains the ductility of the interior of metallic materials. In this work, burnishing treatment was employed to improve the surface microstructure of naturally aged Al-Zn-Mg alloys after solid solution. Transmission electron microscopy, highresolution transmission electron microscopy, X-ray diffraction and nano-indentation were used to characterize the effects of the burnishing on the microstructures of surface layer and Guinier-Preston(GP) zones. It was indicated that GP zones uniformly distributed and dispersed in the matrix before burnishing, and the amount of GP zones decreased dramatically after burnishing processing. Additionally, the grains in the surficial layer were refined into nano-crystals with an average grain size of 78 nm. Burnishing treatment not only led to formation of large number of dislocation substructures in the sub-surface and near-matrix surface, but also promoted the precipitation of metastable η' phase at grain boundaries. The synergistic effects of the grain refinement, dislocation multiplication and the precipitation of η' phase strengthen the burnished layer of Al-Zn-Mg alloy.     

再生竹纤维球形介孔气凝胶的表征

 为获得均一稳定的纤维素气凝胶,以再生竹纤维为原料,采用滴定悬浮和真空冷冻干燥的方法制备球形纤维素气凝胶。傅里叶变换红外光谱仪（FTIR）、X 射线衍射仪（XRD）、扫描电镜（SEM）分析结果表明,球形纤维素气凝胶为纤维素Ⅱ 型结构,内部为疏松多孔的网络状结构。球形纤维素气凝胶的比表面积均在240 m²/g 以上,且孔径均在15 nm 以下,最小密度可达37 mg/cm³,这表明球形纤维素气凝胶具有较高的比表面积、较小的孔径。热重分析（TG）结果表明,纤维素气凝胶大球的最大热失重温度为364.4℃,纤维素气凝胶中球的最大热失重温度为357.3℃,纤维素气凝胶小球的最大热失重温度为354.2℃,而再生竹纤维的最大热失重温度为354.0℃。球形纤维素气凝胶在污水处理、海水除油、重金属离子吸附等领域具有开发价值。     

基于球面调和函数的人脸识别

根据在任意光照下朗伯凸表面的图像可以由一个低维线性子空间近似这一原理,提出了一种新的人脸识别方法．首先使用共形变换原理把训练样本图像投影到球面和圆柱面的一个区域上,然后对球面和圆柱面上的图像用多项式插值方法进行扫描和插值,得到离散函数图像表达式．接着利用球面调和函数估计球面上图像的9个低频谐波系数,对待定的阶数求范数后得到三维的向量．最后依据最近邻决策规则进行识别．实验表明与PCA方法、Fisherface方法以及SVD方法相比,该方法的识别率和对光照、姿态的鲁棒性均有明显的提高．     

TiN薄膜的制备及其纳米力学性能研究

采用磁控溅射工艺制备了TiN薄膜,借助X射线衍射仪、场发射扫描电子显微镜、原子力显微镜和纳米压痕仪等设备,研究了薄膜制备工艺参数(如基体温度、溅射功率、基体负偏压等)对薄膜的相结构、表面微观形貌、纳米硬度、弹性模量等的影响。结果表明:TiN薄膜为多晶态,其溅射功率、基体负偏压和基体温度等条件对薄膜的形貌、结构及纳米硬度、弹性模量等的影响比较复杂。     

Atom-resolved imaging of ordered defect superstructures at individual grain boundaries

The ability to resolve spatially and identify chemically atoms in defects would greatly advance our understanding of the correlation between structure and property in materials. This is particularly important in polycrystalline materials, in which the grain boundaries have profound implications for the properties and applications of the final material. However, such atomic resolution is still extremely difficult to achieve, partly because grain boundaries are effective sinks for atomic defects and impurities, which may drive structural transformation of grain boundaries and consequently modify material properties. Regardless of the origin of these sinks, the interplay between defects and grain boundaries complicates our efforts to pinpoint the exact sites and chemistries of the entities present in the defective regions, thereby limiting our understanding of how specific defects mediate property changes. Here we show that the combination of advanced electron microscopy, spectroscopy and first-principles calculations can provide three-dimensional images of complex, multicomponent grain boundaries with both atomic resolution and chemical sensitivity. The high resolution of these techniques allows us to demonstrate that even for magnesium oxide, which has a simple rock-salt structure, grain boundaries can accommodate complex ordered defect superstructures that induce significant electron trapping in the bandgap of the oxide. These results offer insights into interactions between defects and grain boundaries in ceramics and demonstrate that atomic-scale analysis of complex multicomponent structures in materials is now becoming possible.     

Microstructure and strengthening parameters of ultra-thin hot strip of low carbon steel

The microstructure and precipitation mechanism of ultra-thinhot strip produced by CSP technology were analyzed by electron back scattered diffraction (EBSD), H-800 transmission electron microscope (TEM) and thermodynamics theory. The EBSD results show that the finishing hot rolling microstructures are mixture of recrystallized and deformed austenite. After phase transformation, ferrite grains embody substructures and dislocations that led ultra-thin hot strip high strength and relatively low elongation rate. TEM observations show that there are a lot of fine and dispersive precipitates in microstructures. Most of aluminium nitrides are in grains, while coexisted precipitates of MnS along grain boundaries. Coexisted precipitates compose cation-vacancy type oxides such as Al₂O₃ in the core, while MnS at the fringe of surface. At the same time, reasons for microstructure refinement and strengthening effect were investigated.     

直流电弧等离子体法制备镍纳米粉

运用直流电弧等离子体法制得镍纳米粉，并利用X射线衍射(XRD)、透射电子显微镜(TEM)和相应选区电子衍射(ED)、BET吸附等测试手段对样品的化学成分、形貌、晶体结构、晶格常数、粒度及其分布、比表面积进行性能表征．结果表明：本法所制得的镍纳米粉的晶格结构与相应的块物质相同，为fcc相结构．平均粒径47nm，粒径20～70nm，比表面积14．23m^2／g，呈规则的球形链状分布，并发现纳米晶体的晶格常数发生膨胀．     

宫内节育器铜管铜离子释放特性研究

本文对临床应用载铜宫内节育器(CuIUD)铜管进行了模拟宫腔液浸泡实验,采用原子吸收光谱仪测试不同浸泡时间后模拟宫腔液中铜离子释放浓度,利用SEM和XRD观察、分析铜管表面形貌及物相组成,结果表明:经一个月浸泡,铬酸钝化膜与铜氧化物混合层使铜离子释放缓慢均匀;经两个月浸泡,混合层脱落基体暴露,腐蚀加剧,出现铜离子"暴释";经三个月浸泡,基体上生成了铜氧化层,使铜离子均匀稳定的释放.由此可推断,若在铜管表面预先制备一层氧化膜,可改变节育器植入子宫初期铜离子"暴释"现象.     

含锡C--Mn钢中锡的析出相

利用扫描电镜/能谱仪和透射电镜表征了残余元素Sn在C--Mn钢中的存在形式,同时考察了热处理温度对含Sn析出相类型的影响.结果表明:Fe--5% Sn中Sn以第二相形式在晶界与晶内析出;Fe--1.5% Sn--0.2% S中Sn以第二相形式在直径2~4 μm的球形MnS夹杂物上异质析出.透射电镜分析和热处理实验结果表明:在Fe--5% Sn及Fe--1.5% Sn--0.2% S中MnS夹杂上析出的含Sn第二相结构为四方晶系的FeSn2相.