基于AR模型的Ni-Al2O3复合镀层显微硬度预测

采用磁场电沉积方法在45钢表面制备了Ni-Al2O3复合镀层,用扫描电镜、显微硬度计等仪器对复合镀层表面及显微硬度进行检测.最后用AR模型对Ni-Al2O3复合镀层显微硬度进行预测.结果表明,当磁场强度0.3T,Al2O3粒子浓度8 g/L,电流密度1.5 A/dm2时,Ni-Al2O3复合镀层表面较为平整,镀层缺陷较少.AR模型能够较好的预测Ni-Al2O3复合镀层显微硬度,最大相对误差仅为1.9;.     

镁合金表面制备Al2O3/Ni复合涂层抗腐蚀性的研究

为了改善镁合金的抗腐蚀性,用电泳沉积法在AZ91D镁合金表面沉积两种不同比例的Al2O3/Ni复合涂层.在干燥器皿中放置12h后,放入真空烧结炉中,在300℃下保温4h.通过X射线衍射,扫描电子显微镜和能谱仪对涂层的形貌,物相和微观结构进行分析;将试样浸泡在3.5wt;的NaCl溶液中,通过电化学极化曲线和阻抗谱对涂层的抗腐蚀性进行测试.结果显示,与纯Al2O3涂层相比,Al2O3/Ni复合涂层由于添加了Ni,涂层孔隙率降低,同时降低了涂层与基底热膨胀系数的不匹配程度,提高了结合强度.在四种不同比例的涂层中,Al2O3与Ni质量比为1:3的复合涂层,表面结构更加均匀致密化,涂层的抗腐蚀性能最好.     

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.     

固化剂对磷酸盐粘结剂固化行为的影响研究

本文以H3PO4和Al(OH)3为原料制备磷酸铝粘结剂,探讨了不同固化剂ZnO、CuO、Cr2O3对其固化行为的影响.采用XRD、邵氏硬度仪、TG-DSC等分析手段研究了磷酸盐粘结剂的物相组成、硬度、吸湿率及其固化机理等.结果表明:当P/Al摩尔比为3∶1.3时,磷酸铝粘结剂的理论固化温度为262℃,固化后产物为AlH2P3O10·H2O.固化剂的加入可以有效地缩短固化时间和提高涂层性能,以CuO为最佳.当CuO添加量不低于8wt;时,磷酸盐粘结剂固化时间最短,为2.5 h;吸湿率最低,为4.21wt;.当CuO添加量为6wt;时,涂层硬度最大,为99.2 HA.其对应的理论固化温度为145℃,固化产物为Al4(PO4)3(OH)3·xH2O和少量的Cu4P2O9·H2O.     

添加剂Mg对燃烧合成AlB2-Al2O3复合粉体物相组成的影响

以Al和B2O3为原料采用燃烧合成方法制备了AlB2-Al2O3复合粉体,研究了Mg的添加量对燃烧反应产物物相组成的影响.用温度-时间记录仪测定了反应的燃烧温度,并计算了燃烧波速度;用XRD研究合成产物的物相组成;用差示扫描量热-热重研究了原料混合粉在加热过程中的反应过程;用场发射扫描电子显微镜、能谱研究合成产物的显微形貌.结果表明,随着Mg的增加,Al-B2O3-Mg体系燃烧温度降低,燃烧波速度加快;产物物相有Al2O3、A1B2、MgAl2O4固溶体及残余的Al,随着Mg添加量的升高,MgAl2O4固溶体增加,Al2O3和Al降低,A1B2先增加后减少,在添加6wt; Mg时到达最高值;DSC-TGA结果显示添加6wt; Mg时燃烧合成反应的引燃温度为1182 K;扫描结果显示A12O3为粒径2～4 μm的球状颗粒,AlB2为粒径5～10 μm的颗粒,Mg A12O4固溶体为不规则连续基体.     

熔体变质对超高重力场燃烧合成TiC-TiB2组织均匀性的影响

通过在(Ti+ B4C)反应体系中相应增加(CrO3+ Al)高能铝热剂添加量,使燃烧体系绝热温度依次达到3000℃、3200℃、3400℃、3600℃与3800℃,进行加速度2000 g的超高重力场燃烧合成实验,制备出系列TiC-TiB2复合陶瓷,探讨高能铝热剂的引入对陶瓷显微组织、凝固行为与力学性能的影响.经XRD、FESEM与EDS测试,发现陶瓷显微组织均由TiB2基体相、不规则TiC第二相、少量的Cr基合金相及Al2O3夹杂物构成,增加高能铝热剂的引入量,通过提高反应熔体温度并增加金属液相,对陶瓷合成过程进行耦合控制,不仅急剧降低Al2O3夹杂含量与尺寸,而且明显细化陶瓷组织、改善其均质性,进而当绝热温度超过3600℃,出现TiB2片晶平均尺寸1μm的超细晶组织,使陶瓷致密性、抗弯强度与断裂韧性均显著提升.     

纳米粉体对Na2SO4·10H2O过冷及相分层现象的影响

采用物理和化学分散相结合的方法分别制备了Cu-Na2SO4·10H2O,Al-Na2SO4·10H2O及C-Na2SO4·10H2O纳米复合相变储能材料,探讨纳米Cu粉,纳米Al粉及纳米C粉对Na2 SO4·10H2O过冷及相分层的影响,并对CNa2 SO4·10H2O复合相变储能材料的导热系数,热扩散系数,比热,相变潜热及形貌进行分析.结果表明:纳米材料的添加使得Na2 SO4·10H2O的过冷显著降低,分别为1.8℃,2.1℃,1.2℃;纳米Cu粉及纳米Al粉复合相变储能材料相变循环后失效,而纳米C粉复合相变储能材料无明显相分层现象;随着纳米C含量的增加,复合相变储能材料导热系数增高,热扩散系数增高,比热降低,复合相变储能材料在融化和结晶状态下,导热系数都随着温度升高而增大;相变循环50次后的4; C-Na2SO4·10H2O复合材料相变潜热值为188.3 J/g.     

Al2O3改性Ba(Fe0.5Nb0.5)O3复合陶瓷制备与性能研究

采用草酸盐共沉淀法成功合成了Ba(Fe0.5Nb0.5)O3 (BFN)纳米粉体,并采用sol-gel法获得Al2O3改性的BFN复合粉体,于1150℃两步烧结3h获得复合陶瓷,研究了Al2O3添加对BFN陶瓷微观形貌和介电性能的影响.结果表明:BFN · xAl2O3(x=4wt;,6wt;,8wt;)复合粉体颗粒分布均匀,粒径约为50 nm.Al2O3的加入可明显降低陶瓷的烧结温度.Al2 O3添加量为4wt;的复合陶瓷有高的介电常数,较小的介电损耗和良好的温度稳定性.BFN·xAl2O3复合陶瓷中存在的介电弛豫行为符合Arrhenius定律,是一个热激活过程,随着x的增加,复合陶瓷的激活能逐渐增大,这与无定形Al2O3增加了陶瓷的弛豫势垒,使界面极化减弱相关.     

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.     

Al2O3/Y2O3复合助剂对碳化硅蜂窝陶瓷烧结性能的影响研究

以碳化硅为主要原料,以羟丙基甲基纤维素(HPMC)为粘结剂,以Al2O3和Y2O3作为复合烧结助剂,采用挤出成型工艺制备出碳化硅多孔蜂窝陶瓷.探究了复合助剂Al2O3/Y2O3的加入量对蜂窝陶瓷物相组成和微观形貌的影响;研究了烧结温度对碳化硅陶瓷物相、微观形貌以及孔隙率、线收缩率、体积密度、抗压强度的影响规律.结果表明:Al2O3/Y2O3复合助剂的加入量增大和烧结温度的提高,陶瓷液相量增多;在钇铝石榴石(YAG)的共晶点1760 ℃附近,更易于析出结晶形成YAG相.烧结温度升高,陶瓷收缩率增大;体积密度和抗压强随烧结温度变化规律接近;体积密度和抗压强度在1750℃达到最大值分别为1.8 g/cm3和14.09 MPa.     

Epitaxial Sn1‐xPbxS nanorods on iso‐compositional thin films

Based on SnS (Herzenbergite) – SnPbS₂ (Teallite) mixed crystals with orthorhombic layer structures, thin films and lawns of Sn_1‐xPb_xS nanorods were produced using hot wall vacuum deposition method (HWVD). The lawn was formed onto the surface of an underlying thin Sn_1‐xPb_xS film which is build by differently oriented blocks. The density of rods arranged like a lawn depends on the metal ratio and substrate temperature. X‐ray and TEM analysis of the epitaxial material showed preferential (001) orientation perpendicular to the surface of the glass substrate. The roughness of the films measured by atomic force microscopy was in the range of R_q = 49.5–86.3 nm depending on lead concentration The rods were about 500 nm high and 300 nm in diameter. As revealed by TEM‐EDX experiments the droplet at the tip of rods consists of tin. Therefore it is assumed the rods grew via a self‐consuming vapor–liquid–solid (VLS) mechanism. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Triethyl ammonium salt of O,O′-bis(p-tolyl)dithiophosphate, [Et3NH]+[(4-MeC6H4O)2PS2]−

Triethyl ammonium Salt of O,O′-bis(p-tolyl)dithiophosphate and O,O′-bis(m-tolyl)dithiophosphate have been obtained by reaction of p- and m-cresol, respectively with P₂S₅ in toluene and have been characterized by elemental analysis, IR, ¹H and ³¹P NMR spectroscopy. The molecular structure of O,O′-bis(p-tolyl)dithiophosphate has been determined. Crystal data: [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻: Monoclinic, P2₁/c, a=15.2441(9) ?, b=10.415(2) ?, c=3.9726(9) ?, β=91.709(7)°, V=2217.5(1) ?⁻³, Z=4.Supplementary materials Additional material available from the Cambridge Crystallographic Data Centre (CCDC no. 600927 for [Et₃NH]⁺[(4-MeC₆H₄O)₂PS₂]⁻ comprises the final atomic coordinates for all atoms, thermal parameters, and a complete listing of bond distances and angles. Copies of this information may be obtained free of charge on application to The Director, 12 Union Road, Cambridge CB2 2EZ, UK (fax: +44-1223-336033; email: deposit@ccdc.cam.ac.uk or www:http://www.ccdc.cam.ac.uk).     

First-principles coexistence simulations of supercooled liquid silicon

We perform first-principles coexistence simulations of the low-density and the high-density phases of supercooled liquid silicon and find a negative slope for the coexisting line in the temperature-pressure plane. Electron density maps and electron-localization function plots of the two phases of silicon show marked differences. The calculated differences suggest more localized electrons in the low-density liquid compared to the high-density liquid, coming from an increased population of covalent bonds, which further explain the calculated negative slope in the two phase coexistence regime. This is consistent with the presence of a pseudo-gap in low-density liquid silicon, absent in the high-density liquid which shows a metallic behavior.     

CTAB与SDBS对碳酸锶粒子生长形态调控及机理研究

以表面活性剂CTAB和SDBS为化学添加剂,采用化学共沉淀法对碳酸锶晶体的生长形态进行调控,成功地制备出了实心的树枝状和花瓣为空心的花状碳酸锶粉体,并用X射线衍射(XRD)、扫描电子显微镜(SEM)和傅里叶变换红外光谱(FT-IR)等分析手段对样品进行了表征;最后重点对化学添加剂可能产生的影响机理进行了初步的探讨.结果表明,CTAB和SDBS在晶体生长的过程中能起到显著的影响作用,两者对粒子分散性能的作用效果相反,而且后者对晶体(013)和(213)晶面表面能降低的贡献明显大于前者.     

Crystal structures of thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane

Structures of both thecis andtrans isomers of dithiahexahydro[3.3]metacyclophane, ?C₆H₄?CH₂SCH₂?C₆H₁₀?CH₂SCH₂?, have been determined, wherecis andtrans refer to the attachments to the cyclohexane ring. Thecis form crystallizes in the monoclinic space groupP2₁/c witha=8.4299(11)Å,b=21.772(2)Å,c=8.9724(13)Å, β=116.574(11)^o, andZ=4. Thetrans isomer packs into the monoclinic space groupP2₁ witha=8.159(16)Å,b=10.185(5)Å,c=9.558(2)Å, β=112.435(18)^o, andZ=2. The cyclohexane ring of thecis isomer is in the chair conformation, while the cyclohexane of thetrans isomer is found in a twisted boat conformation.     

Crystal structure of Zn4Na(OH)6SO4Cl·6H2O

The structure of Zn₄Na(OH)₆SO₄Cl·6H₂O, a secondary mineral from Hettstedt, Germany, was determined by single-crystal X-ray diffraction. The crystals are hexagonal,a=8.413(8),c=13.095(24) Å, space group $P\bar 3$ , Z=2. The structure was refined to R=0.0554 and R_w=0.0903 for 970 reflections with I≥3σ(I). The structure can be described as zinc hydroxide layers perpendicular toc, from which sulfates and chlorides extend. The layers are held together by a system of hydrogen bonds involving hexaaquo Na⁺ ions which occupy the interlayer space.     

Crystal structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane

Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.1^5,9.2^13,16.1^20,24] hexatriaconta-5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-trans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P2₁/a with a = 10.485(3)Å, b = 10.3956(18)Å, c = 14.1343(10)Å, = 105.200(13)°, Z = 2 and refined to an R factor of 0.046. The trans isomer crystallizes in the monoclinic space group P2₁/c with a = 10.7217(12)Å, b = 5.6797(7)Å, c = 25.415(5)Å, = 96.001(12)°, Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans structure the cyclohexane rings face one another.     

Synthesis and Crystal Structure of 5-[2-(6-bromonaphthalenyloxymethyl)]-3-(4-morpholinomethyl)-1,3,4-oxadiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

Abstract  The title compound, C₁₈H₁₈BrN₃O₃S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal] reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these angles which therefore play a role in stabilizing crystal packing. Graphical Abstract  Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C₁₈H₁₈BrN₃O₃S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal structure of irisolidone from the flowers of Pueraia lobata

Irisolidone (5,7-dihydroxy-6,4′-dimethoxyisoflavone) was isolated from the flowers of Pueraia lobata and its crystal structure was examined by X-ray single crystal diffraction. The crystal structure of irisolidone is monoclinic, space group P2₁/c with a = 15.491(9) ?, b = 7.895(4) ?, c = 13.321(7) ?, β = 110.546(9)° and Z = 4. Hydrogen bonding and aromatic π–π stacking assemble the title compound into a three-dimensional networking structure.