基于AR模型的Ni-TiN复合镀层TiN粒子复合量预测研究

采用超声-脉冲电沉积方法在T8钢表面制备了Ni-TiN复合镀层,采用扫描电镜和X射线光衍射仪对镀镀层物相组织结构进行检测,并建立AR模型对镀层的TiN粒子复合量进行预测.结果表明,当电流密度4 A/dm2、占空比50;、超声波功率140 W时,Ni-TiN复合镀层表面较为光滑,晶粒较为细小,组织较为均匀.XRD分析表明,Ni-TiN复合镀层中存在Ni、TiN两相,镍的衍射峰分别位于44.8°、52.2°和76.8°,TiN的衍射峰分别位于38.5°、42.8°和66.5°.AR模型对Ni-TiN复合镀层TiN粒子复合量预测能力较强,其相对误差最大值与最小值分别为2.43;及0.71;.     

基于BP神经网络的Ni-TiN镀层腐蚀速率预测研究

采用磁场电沉积方法在40Cr钢表面制备了Ni-TiN镀层,并在正交实验的基础上建立了BP神经网络模型对镀层腐蚀速率进行预测,最后利用扫描电镜、X射线衍射仪以及显微电子天平对镀层的表面形貌、组分以及腐蚀速率进行分析和研究.结果表明,当工艺组合为A2B2C3D1,即TiN粒子浓度6 g/L,磁场强度0.4T,占空比50;,电流密度0.5 A/dm2时,Ni-TiN镀层经腐蚀后表面较为平整,凸起状物质较少.BP神经网络模型能够较好的模拟Ni-TiN镀层腐蚀速率,腐蚀速率最小值仅为2.134 mg/m·h,因此也证明了BP神经网络的可靠性.经XRD分析,Ni-TiN镀层存在Ni、TiN两相.     

钻井泥浆泵活塞表面多场耦合电沉积Ni-TiN纳米镀层研究

采用多场耦合电沉积方法,在钻井泥浆泵活塞表面制备Ni-TiN纳米镀层.利用X射线衍射仪(XRD)、原子力显微镜(AFM)、摩擦磨损试验机对Ni-TiN纳米镀层微观组织结构和耐磨性能进行研究.XRD分析表明,在钻井泥浆泵活塞试样表面存在金属镍晶粒和TiN粒子.当复合镀液中TiN粒子为6g/L时,Ni-TiN纳米镀层中镍晶粒和TiN粒子的平均粒径分别为65.5 nm和38.6 nm.AFM分析表明,当TiN粒子浓度为6g/L时,镀层表面镍晶的平均粒径最小,其均方根表面粗糙度(RMS)为44.077 nm.摩擦磨损实验测试表明,当复合镀液中TiN粒子为6g/L时,Ni-TiN纳米镀层的磨损量和摩擦系数都最小,其最小磨损量和摩擦系数分别为34.7 mg和0.44.     

基于RBF神经网络的Ni-TiN镀层耐蚀性能预测研究

采用脉冲电沉积方法在40Cr钢表面制备Ni-TiN复合镀层,并以TiN粒子浓度、电流密度以及占空比为输入层,以Ni-TiN复合镀层腐蚀量为输出层,建立RBF神经网络模型,对镀层腐蚀量进行预测研究,最后利用扫描电镜观察不同工艺参数下镀层表面形貌.结果表明,RBF神经网络对镀层腐蚀量有较强的预测能力,其预测值与实验值相对误差最小仅为0.73;;SEM分析表明,当TiN粒子浓度10 g/L,电流密度5 A/dm2,占空比60;时,Ni-TiN复合镀层经腐蚀后表面较为平整,腐蚀坑较少,耐腐蚀性能较好.     

脉冲占空比对Ni-TiN镀层组织及其耐磨性能的影响

采用磁场-电沉积方法在40Cr钢表面制得Ni-TiN复合镀层.利用扫描电镜(SEM)、显微硬度计、X射线衍射仪(XRD)及磨损试验机等对Ni-TiN镀层的表面形貌、显微硬度、织构和耐磨性能进行研究.结果表明,脉冲占空比为50;时,镀层表面镍晶粒平均粒径65.3 nm,且镀层中TiN粒子复合量较多.随着脉冲占空比的增加,Ni-TiN镀层的显微硬度先增加后降低.脉冲占空比为50;时,Ni-TiN镀层的显微硬度达到最大值934 Hv,其磨损量和平均摩擦系数分别为28.5 mg和0.43.     

超声辅助脉冲电沉积Ni-TiN复合镀层制备工艺研究

采用超声辅助脉冲电沉积方法在45#钢表面制备NI-TiN复合镀层..利用X射线衍射仪(XRD)对复合镀层的物相组成进行检测分析,并利用原子力显微镜(AFM)、透射电镜(TEM)对Ni-TiN复合镀层的立体表面形貌及晶粒的分布进行观察分析.结果表明:当超声波功率为300 W时,所制备的Ni-TiN纳米复合镀层衍射峰强度最高,且含有Ni、TiN两相,Ni晶粒得到显著细化,TiN纳米颗粒分布较为均匀,无显著团聚现象发生.     

ZrO2含量对Ni-Co-ZrO2复合镀层显微硬度和耐磨性能的影响

以硫酸镍、硫酸钴和氧化锆为主要原料,采用脉冲沉积技术在Q235钢基体表面沉积了Ni-Co-ZrO2复合镀层,利用扫描电镜、能谱仪、X射线衍射仪分别观察和表征了复合镀层的显微形貌、成分组成和相结构,并对Ni-Co-ZrO2复合镀层的显微硬度和耐磨性进行了研究.结果表明:ZrO2颗粒弥散分布于Ni-Co合金中,基体与镀层界面处无孔隙、裂纹等缺陷,镀层厚度约为60μm;镀态下Ni-Co-ZrO2复合镀层基质合金为晶态结构,主要生长晶面为Ni(111)和Co (110),XRD衍射图谱呈现出低强度、大峰宽和多晶向的相结构特征.随着镀层内ZrO2颗粒含量的增加,Ni-Co-ZrO2复合镀层的显微硬度呈现先提高后降低、磨损量先减少后增加的趋势,当ZrO2含量为20 g/L时,复合镀层的硬度最高、磨损量最少,磨痕形貌呈现出轻微磨损.     

基于BP神经网络的Ni-Si3N4复合镀层工艺-性能模型预测

在正交试验的基础上,运用BP神经网络优化脉冲电沉积工艺制备高颗粒含量的Ni-Si3 N4复合镀层;并对Ni-Si3N4复合镀层的微观结构以及高温抗氧化性能进行了表征分析.结果表明,运用BP神经网络优化的最佳工艺条件:颗粒悬浮量为40 g/L,镀液温度为45℃,转速为300 r/min,占空比为60;;该模型所得预测值与试验值曲线吻合较好,其相对误差较小,最大误差不超过3;,相关系数为0.99932.采用该优化工艺制备的Ni-Si3N4复合镀层中Si3N4微粒弥散分布于Ni基质层内部,镀层与基体之间无孔隙、裂纹等缺陷,具有优异的高温抗氧化性能.     

用BP神经网络模型预测Ni-Al2O3复合涂层Al2O3粒子复合量研究

运用人工神经网络技术建立一个结构为4×9×1型的BP神经网络模型,用该模型对Ni-Al2O3复合涂层中Al2O3复合量进行预测研究,并用XRD衍射仪和原子力显微镜(AFM)对Ni-Al2O3复合涂层的Al2O3复合量和立体形貌进行分析.结果表明,当隐含层数为9个时,BP神经网络的均方根误差最小(1.13;),BP神经网络的拟合相似度R=0.99937,这表明BP神经网络模型能够较好的预测涂层Al2O3复合量.当占空比60;、阴极电流密度4 A/dm2、pH值4、镀液温度55 ℃时,Ni-Al2O3复合涂层结构密实,结晶细致.     

AlN插入层对AlGaN/GaN外延材料电学性能影响

采用MOCVD制备了带有MN插入层AlGaN/GaN异质结构外延材料,对外延材料分别进行了原子力显微镜AFM、双晶XRD以及变温HALL测试.测试结果表明:具有AlN插入层的外延材料表面非常平整,10 μm × 10 μm范围样品的表面均方根粗糙度RMS仅为0.302 nm,AlGaN势垒层衍射峰更尖锐,材料结构特性良好,大大提高了AlGaN/GaN异质结的2DEG面密度和迁移率,280 K和300 K时沟道电子迁移率分别为4736 cm2/V·s和1785 cm2/V·s,比无MN插入层的传统结构得到的结果分别提高了45.7;和23.4;.     

CsI-LiCl共晶材料的坩埚下降法生长与闪烁性能研究

本文采用坩埚下降法,在真空密封的石英坩埚中成功生长出CsI-LiCl与CsI-LiCl:Na共晶闪烁体。通过扫描电子显微镜(SEM)观察晶体微结构表明该共晶中LiCl相与CsI相存在周期性的层状排列,CsI相的厚度在5 μm左右。共晶样品的X射线激发发射谱显示在CsI-LiCl和CsI-LiCl:Na共晶样品存在缺陷发光,在CsI-LiCl样品中还观察到了纯CsI的自陷激子(STE)发光。CsI-LiCl样品在α粒子激发下的多道能谱中观察到明显的全能峰,这一结果证明CsI-LiCl共晶可用于热中子探测的潜力。     

静电纺丝法制备CeO2微纳米纤维及其除氟性能

以聚丙烯腈(PAN)为载体,六水合硝酸铈[Ce(NO₃)₃·6H₂O]为原料,采用静电纺丝法制备了Ce(NO₃)₃/PAN纤维,在空气中热处理得到CeO₂微纳米纤维,通过XRD、BET和SEM对CeO₂微纳米纤维进行表征。采用静态吸附实验探讨了CeO₂微纳米纤维去除水溶液中氟离子的性能,考察了溶液pH值、初始氟离子浓度及共存阴离子等对吸附性能的影响。结果表明,pH=3时,CeO₂微纳米纤维对F^-的吸附性能最佳,CeO₂吸附量随着F^-浓度的增大呈上升趋势。CeO₂微纳米纤维对F^-的吸附等温线遵循Langmuir模型,二级动力学模型能很好地描述CeO₂微纳米纤维对F^-的吸附过程。CeO₂微纳米纤维的除氟性能优良,可为其实际应用提供理论参考。     

X-ray analysis of sideroxol from <Emphasis Type="Italic">Sideritis leptoclada</Emphasis>

Sideroxol (1), a kaurane diterpene which has the ent-7α,18-dihydroxy-15β,16β-epoxykaurane structure (MW = 320.47, C₂₀H₃₂O₃) was obtained from the acetone extract of Sideritis leptoclada plant as well as from some other Sideritis species. It crystallizes in the orthorhombic space group P2₁, 2₁, 2₁ with a = 10.967(3), b = 24.555(5), c = 6.372(4) Å, Dc = 1.240 g cm⁻³, Z = 4, and refines to R = 0.065 for 721 independent reflections. The skeleton consists of three fused six-membered rings and a five-membered ring with fused epoxide. The six membered rings exhibited slightly distorted chair conformation. In addition to sideroxol, two kaurane and five kaurene diterpenes were isolated from the hexane and acetone extracts of the studied plant.     

Photoluminescence characteristics of Mg- and Si-doped GaN thin films grown by MOCVD technique

We have studied the optical, structural and surface morphology of doped and undoped GaN thin films. The p- and n-type thin films have been successfully prepared by low-pressure MOCVD technique by doping with Mg and Si, respectively. The different carrier concentrations were obtained in the GaN thin films by varying dopant concentrations. Photoluminescence (PL) studies were carried to find the defect levels in the doped and undoped GaN thin films at low temperature. In the undoped GaN thin films, a low intensity and broad yellow band peak was observed. The donor–acceptor pair (DAP) emission and its phonon replicas were observed in both the Si or Mg lightly doped GaN thin films. The dominance of the blue and the yellow emissions increased in the PL spectra, as the carrier concentration was increased. The XRD and SEM analyses were employed to study the structural and surface morphology of the films, respectively. Both the doped and the undoped films exhibited hexagonal structure and polycrystalline nature. Mg-doped GaN thin films showed columnar structure whereas Si-doped films exhibited spherical shape grains.     

New zeotype borophosphates with chiral tetrahedral topology: (H)0.5M1.25(H2O)1.5[BP2O8]·H2O (M = Co(II) and Mn(II))

Two new isostructural open‐framework zeotype transition metal borophosphate compounds, (H)_0.5M_1.25(H₂O)_1.5[BP₂O₈]·H₂O (M = Co(II) and Mn(II)) were synthesized by mild hydrothermal method. The structure of compounds were characterized by single‐crystal X‐ray diffraction which have ordered, alternating, vertex‐sharing BO₄, PO₄, and (MO₄)OM(H₂O)₂ groups with hexagonal, P 6₁ 2 2 (No 178) space group and unit cell parameters for Co a = 9.4960(6) Å, c = 15.6230(13) Å, for Mn a = 9.6547(12) Å, c = 15.791(3) Å, Z = 1 for both of them. TGA/DTA analysis, IR spectroscopy were used for characterization. Magnetic susceptibility measurements for both of the compound indicate strong antiferromagnetic interaction between metal centers. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Solubility of Ag2O into the Na2O–B2O3–Al2O3 system

The solubility of Ag₂O was measured for the Na₂O–B₂O₃ and Na₂O–B₂O₃–Al₂O₃ system with the rotating crucible method and static method, respectively, under air atmosphere at temperatures ranging from 1273 to 1423 K. The contamination of melts from crucibles could be avoided by the rotating crucible method, with which it became possible to measure the solubility of Ag₂O for the Na₂O–B₂O₃ system above the melting point of Ag for the first time. It was found that the addition of Na₂O decreases the solubility of Ag₂O while the addition of Al₂O₃ had little effect on the solubility. The effect of Na₂O and Al₂O₃ on the solubility of Ag₂O is expressed by interaction coefficients and is analyzed in terms of the basicity of melts. The solubility of Ag₂O in Na₂O–B₂O₃–Al₂O₃ melts increased with increased temperature. This phenomena was explained by a small enthalpy change in oxidation of silver.     

Selinidin: Crystal structure generated by C–H···O, C–H···π and π-π interactions

The title compound, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl-2-methyl-2-butenoate, C₁₉H₂₀O₅, was isolated from the roots of Selinum vaginatum. The compound crystallizes into monoclinic space group P2 ₁ with unit cell parameters: a = 12.830(2) Å, b = 9.041(1) Å, c = 14.983(1) Å, β = 95.09(1)°, Z = 4. The crystal structure has been determined using direct methods and refined by full-matrix least-squares to a final R value of 0.0529 for 3142 observed reflections. There are two independent molecules, A and B, per asymmetric unit. In both the molecules, the coumarin nucleus is planar. However pronounced differences are observed in the conformation of dihydropyran ring which has a half-chair conformation with an 8β-9α orientation in molecule A and is intermediate between half-chair and sofa in molecule B. Differences also occur in the conformation of the 2-methylbutenoyloxy side chain at C9 due to the different geometry of C–H···π interactions in molecules A and B. Molecules A and B are connected by π–π interactions between their coumarin fragments forming dimers. The dimers interact through C–H···O and C–H···πhydrogen bonds.     

Chromene and Imidazole Based D-π-A Chemosensor Preparation and Its Anion Responsive Effects

We have designed and synthesized the colorimetric chemosensor through the reactions of 2-(4H-chromen-4-yildene)malonitrile and 4-imidazolecarboxaldehyde. Due to its well conjugated D-π-A system and the existence of NH- fragment in structure, we expected that the chemosensor can detect anion using NH- fragment in the imidazole moiety of the structure. In this regard, UV-Vis absorption spectra were measured to investigate sensing properties of the probe toward different anions in DMSO. This chemosensor can detect both fluoride and cyanide ion with absorption change in intensity. In addition, pH sensing property was also investigated upon the addition of hydroxide ion. These properties are related to the deprotonation effect. The ICT system in this molecule was also observed by the computational approach using Material Studio 4.3 package.     

电子显微分析在表征纳米晶体化学组分中的应用

纳米材料的化学组分及含量影响其光、电、声、热、磁等物理性能,电子显微分析是表征纳米晶体化学组分的重要方法之一.本文综述了X-射线能谱(EDS)、X-射线波谱(WDS)、电子能量损失谱(EELS)和选区电子衍射(SAED)等现代电子显微分析技术在表征纳米晶体化学组分、形貌、尺寸和结构等方面的应用及其研究进展,并比较了这些分析方法存在的差异,提出了其应用中存在的不足及今后的研发方向.     

Considerations on the structure and physical properties of B2O3-SiO2 and GeO2-SiO2 glasses

Data of density, refractive index and thermal expansion coefficient for B₂O₃-SiO₂ and GeO_2-SiO₂ glasses have been analyzed. The volumes of the structural units are the same found for the vitreous B₂O₃, GeO₂ and SiO₂. The volume of any structural unit is constant over the entire composition region of the glass system. The same has been found for the differential refraction and unit refraction of the structural units in these glasses. Different features are observed for the differential expansion of the structural units. There is a considerable change with composition in the differential expansion of BO₃, GeO₄ and SiO₄ units. The effect is attributed to a change in the asymmetry of vibrations with the number of Si-O-B or Si-O-Ge linkages in the matrix. The thermal expansion coefficient is mainly determined by the contribution of B₂O₃ or GeO₂ in the concerned glasses.