The first-principles study on the doping effect of Re in Ni3Al

Using first-principles density function for molecules method （DMol） and discrete variational method （DVM） based on the density functional theory, we studied the doping effect of Re in Ni3Al. The structure relaxation and the alloying energy show that Re has a strong Al site preference and leads to the local deformation, which is in agreement with the experimental results and other theoretical results. In addition, the charge density difference and the bond order show that Re can strongly enhance the interatomic interaction between the nearest neighbor atoms. From the density of states and the Pauli spectrum, we find that resonance states and localized states are induced by doping Re, and the doped Re atom forms the hybridized bond with the nearest neighbor atoms.     

Cu/Ni3Ti原位复合材料的显微组织和力学性能

通过真空电弧熔炼法制备了Cu/Ni₃Ti原位复合材料。采用X射线衍射仪、扫描电子显微镜、显微硬度计和纳米压痕仪分别测试了Cu/Ni₃Ti原位复合材料的相组成、微观组织形貌、显微硬度和弹性模量。结果显示,Ni₃Ti相在铜基体中呈针状分布,且铸锭边缘与心部平均晶粒直径分别约为1.74和249 μm。Cu/Ni₃Ti原位复合材料在时效温度为550℃时的强化效果最佳,此时铜基体与Ni₃Ti相的显微硬度最大值分别达到了174和209。在热处理后,Ni₃Ti相的最大硬度和弹性模量分别达到10.5 GPa和249.7 GPa,远高于Cu基体,Ni₃Ti相是一种理想的增强相。     

Phase transition , structure and shape memory effect of Ni47Ti43Hf10 alloy

A Ni₄₇Ti₄₃Hf₁₀ high temperature shape memory alloy is fabricated. The martensitic transformation temperature (TT) is obtained by differential scanning calorimetry and four-probe electrical resistivity measurements. The effect of thermal cycling is investigated and it is found that the TT tends to be stable quickly, which is of benefit to practical applications. The martensite structure is determined to be B19' monoclinic by X-ray diffraction and transmission electron microscopy. One-way and two-way (which is seldom reported before) shape memory properties are studied by tensile and bending tests. The cycling number of two-way shape memory effect is tested for more than 20000 times.     

Forming mechanism of refined granular crystalline of Cu70Ni30 alloy by undercooled solidification

Moth glass fluxing and cyclic superheating techniques were adopted to effectively uudercool the Cu₇₀Ni₃₀ alloy in vacuum. Within the undercooling range of 21 K to 270 K, the microstructure evolution ol the alloy was investigated. When the inell was undercooled to △T > △T', (210 K) , the grain refinement took place abruptly, liascd on the observation of the solidified microstructure, the rnierocheinieal-analysis and the calculated results with UCT model, it is found that the secondary grain refinement mechanism consists of two stages. The dendrite is, firstly, broken into hag-ments owing to the stress caused by uneven shrinking during rapid solidilication, then the fragments, under the driving force of surface and strain energies, merge through the migration of l>ouinlaries, i. c. recryslallization, thus leading to the formation of secondary granular-crystalline .     

Effects of Ru on microstructure stability and mechanical properties of Ni3Al single crystal alloy

The effect of Ru on microstructure stability and stress rupture properties of a Ni3Al single-crystal alloy was investigated. The experimental results showed that the addition of 2% Ru (mass fraction) improved the microstructure stability due to the res traint of harmful Y-NiMo phase formation during the thermal exposure at the high temperature above 1 000 °C. And the reason may be that the addition of Ru increased the degree of Mo supersaturation in both γ and γ′ phases, and hence suppressed the precipitation of Y-NiMo phase. The results of stress rupture tests under the testing condition of 1 100 °C, 120 MPa showed that the addition of 2% Ru in the alloy improved the stress rupture lives significantly for ther mal exposed samples. The improvement of the stress rupture properties may be attributed to the restraint of Y-NiMo phase precipitation and growth by the addition of the proper amount Ru.     

Non-catalytic nucleation coating for undercooled Cu50Ni50 melt

A non-catalytic nucleation coating (B-F3) was prepared by the high temperature curing process of the sol-gel glass film based on the viscous flow mechanism of the coating. X-ray diffraction technology was adopted to study the crystallization behavior of the coating as a function of treating temperature. It was evident that no crystallization phenomenon happened on the coating which kept stable after the heat treatment of 60 min at 1773 K. The purified melt of Cu₅₀Ni₅₀ was selected to evaluate the effectiveness of undercooling heredity of the coating in the undercooling experiments. The maximum undercooling of the melt solidified in the coated mold could reach 236 K. Based on the solidified microstructural evolution at different undercoolings, a single crystal of the alloy Cu₅₀Ni₅₀ was achieved with no aid of the selection process of the crystal in the mold with the B-F3 coating by means of undercooling technology.     

纳米Fe2O3-Al2O3复合材料的制备

采用溶胶-凝胶表面包覆法制备了纳米Fe₂O₃-Al₂ O₃复合材料, 利用X射线衍射和透射电镜对样品的物相、 粒度和形貌进行了研 究. 结果表明, α-Fe₂O₃掺杂降低了Al₂O₃相变温度, 在900 ℃可以得到稳定的α-Al₂O₃相.     

BiFeO3掺杂Pb（In1/2Nb1/2）O3-Pb（Mg1/3Nb2/3）O3-PbTiO3陶瓷的制备与磁电性能研究

以固相合成法制备了铁酸铋（BiFeO₃,简称BFO）掺杂的铌铟酸铅-铌镁酸铅-钛酸铅（Pb（In_1/2Nb_1/2）O₃-Pb（Mg_1/3Nb_2/3）O₃-PbTiO₃,简称PIN-PMN-PT）多铁性陶瓷材料,X射线衍射（XRD）测试结果表明：样品具有钙钛矿结构,电滞回线显示其铁电性良好,剩余极化值（P_r）可达18 μC·cm^-2.由于BiFeO₃掺杂后,样品电矩减小,氧空位增多,使其铁电畴翻转困难,样品的电性能略有下降,但是其磁性能随BiFeO₃掺入量的增加而逐渐增强,且样品居里温度（T_m）为200℃左右.该材料在电磁学领域有望成为具有应用前景的多铁性材料.     

纳米Al/Cr2O3/ETN复合含能材料的制备与表征

采用溶胶-凝胶法,以1,2-环氧丙烷作为Cr(Ⅲ)离子的水解促进剂,温和条件制备了Al/Cr_2O_3/ETN湿凝胶,超临界干燥后得到Al/Cr_2O_3/ETN纳米复合物。讨论了氯化铬初始浓度、溶剂选择、环氧丙烷用量和初始p H值对体系温度和p H的影响,确定了最佳工艺。利用TEM、SEM、BET、EDS、IR、DSC和感度测试对Al/Cr_2O_3/ETN纳米复合物的形貌、结构、热分解性能和机械感度进行了表征。结果表明,纳米Al的表面被粒径约20 nm的纳米ETN和Cr_2O_3的小粒子致密包覆,形成纳米复合物,其比表面积为290.8 m2·g-1,IR图谱中有明显的硝酸酯基炸药的特征峰。DSC分析表明,ETN在63.4℃出现熔化峰,194.3℃出现分解放热峰。感度测试结果表明,复合物的撞击感度和摩擦感度只有53 cm、46%,所以此复合物的感度较低。     

纳米Al2O3颗粒对Cu-Al2O3性能的影响

采用溶胶-凝胶法制备纳米Al₂O₃颗粒,通过粉末冶金法制备氧化铝铜（Cu-Al₂O₃）。采用X射线光电子能谱仪、扫描电子显微镜、洛氏硬度仪和涡流计分别测试了Cu-Al₂O₃的结合能、微观组织、硬度和导电率。结果表明：随Al₂O₃颗粒含量的增加,Cu-Al₂O₃的硬度先升高后降低,当Al₂O₃颗粒的质量分数达到0.084%时,Cu-Al₂O₃的硬度达到最大值75.73（HRB）。Cu-Al₂O₃的导电率随着Al₂O₃颗粒含量的增加逐渐下降。Al₂O₃颗粒的质量分数为0.084%时为最佳值,Cu-Al₂O₃的硬度达到最大值,导电率达到69.1% IACS。     

Ca掺杂的对LiNi1/3Co1/3Mn1/3O2正极材料及其电化学性能研究

为探讨Ca的掺杂对LiNi_1/3Co_1/3Mn_1/3O₂材料结构和电性能的影响,以草酸为沉淀剂,以不同含量Ca对LiNi_1/3Co_1/3Mn_1/3O₂进行掺杂改性,并通过X射线衍射（XRD）对产品进行表征,探讨了不同Ca含量样品的电化学性能.结果表明：大量Ca掺杂生成明显CaO杂相,而少量Ca掺杂则能顺利进入材料晶格之中.随着Ca掺入,晶体类型不变,但c轴略收缩,形成更紧密的结构. 充放电显示Ca在低倍率(2.5～4.3 V,0.5 C)时,能一定程度提高材料的循环性能;但在高倍率(2.5～4.3 V,5 C)时,能明显提高容量和循环性能.充放电曲线同时显示未掺杂的材料高倍率下极化严重,放电平台严重降低;而Ca掺杂的材料极化状况则不明显,说明Ca掺杂能抑制极化并提高电化学性能.     

Fe3O4@NiSiO3纳米催化剂制备及催化臭氧化降解对苯二甲酸性能研究

采用水热法和溶胶凝胶法制备Fe₃O₄@SiO₂纳米颗粒,经表面镍刻蚀得到Fe₃O₄@NiSiO₃磁性纳米催化剂。利用XRD、TEM和VSM等手段表征催化剂的晶体和表面结构。构建类均相催化臭氧化体系,考察其催化降解对苯二甲酸性能。结果表明：在臭氧通入量10.52 mg.min_-1、催化剂投加量40 mg.L_-1和初始溶液pH=9的条件下,催化臭氧化反应20 min时对苯二甲酸降解率为78.13%,TOC去除率27.25%;5次循环实验后,PTA降解率仅下降2.75%。     

PbZr0.52Ti0.48O3的高压合成

研究使用2种原料进行PbZr_0.52Ti_0.48O₃的高压合成. 实验结果表明, 以PbO,ZrO₂和TiO₂(1:0.52∶0.48)为原料, 在1.5 GPa和3.6 GPa压力, 880~1 061 ℃条件下主要形成PbTiO₃, ZrO₂和Pb三相混合物, 仅在880 ℃附近有少量锆钛酸铅(PZT)相生成. 以Zr_0.52Ti_0.48O₂为B位先驱体, 与PbO混合后进行高压高温合成, 在1.5 GPa, 710~812 ℃条件下形成PbZr_0.52Ti_0.48O₃相, 未发现PbTiO3相. 对高压高温（1.5 GPa, 812 ℃）合成的PbZr_0.52Ti_0.48O₃样品进行变温拉曼测量, 在245 ℃时, 未发生结构相变; 在420 ℃时, 拉曼谱只有177.5,257.7,517 cm^-13个峰, 其结构由铁电相转变为立方顺电相, 因此高压合成的PbZr_0.52Ti_0.48O₃居里温度在420 ℃以下.      

WO3/g-C3N4复合催化剂的制备及其可见光 光催化性能分析

在盐酸质子化条件下,采用超声微波协助法成功制备了可见光型复合催化剂WO3／g-C3 N4。利用X射线多晶粉末衍射仪（XRD）、扫描电镜（SEM）、透射电镜（TEM）、紫外可见漫反射（UV-Vis）和BET比表面测试仪对样品进行了表征,并以罗丹明B（RhB）为目标降解物对其光催化性能进行研究。结果表明：复合催化剂样品是由片状的 WO3纳米片负载在g-C3 N4表面组成的。当 WO3负载的质量分数为40％时,前驱物在500℃条件下煅烧2 h后所得样品的光催化性能明显好于同条件下制得的单一相 WO3和g-C3 N4,在可见光（波长大于420 nm）照射下,5 h 内对100 mL浓度为10－5 mol／L罗丹明B橙溶液的降解高达98％。     

The concentration quenching characteristics of 5D3-7FJ and 5D4-7FJ (J=0―6) transitions of Tb3+ in YBO3:Tb3+ phosphor

The photoluminescence quenching behaviors of ^5D3-^7Fj and ^5D4-^7Fj （J = 0—6） transitions of Tb^3＋ in YBO3：Tb under 130—290 nm excitation were systematically investigated. The results revealed that the quenching concentrations of both ^5D3-^7Fj and ^5D4-^7Fj transitions of Tb^3＋ in YBO3：Tb were mainly dependent on excitation wavelength. Particularly, the quenching concentrations of ^5D4-^7Fj transitions of Tb^3＋ under 130—290 nm excitation were correlated with excitation bands of YBO3：Tb. The quenching concentrations of ^5D3-^7Fj transitions remained at low concentration （2%） under 186—290 nm excitation and then increased gradually with energy of incoming excitation photon when excited at 130—186 nm. This dependence should be involved in their excitation mechanisms and quenching pathway in particular excitation region.[第一段]     

Al2O3/WO3/ZrO2催化剂的制备及在酯交换反应中的研究

以松木为模板,采用模板法将不同含量的Al₂O₃添加到WO₃/ZrO₂复合氧化物中,采用X射线衍射、BET比表面积分析、拉曼光谱和NH₃等温吸附测试等手段对其进行表征,以评估其改进结果。将Al₂O₃/WO₃/ZrO₂催化剂应用到甲醇与乌桕油（非食用油）的酯交换反应中,在其他反应条件相同,Al₂O₃质量分数为3%时,生物柴油最高产率达到83.1%。结果表明：添加Al₂O₃稳定了ZrO₂的四方相结构,使得催化剂比表面积更大、孔数量增加;模板法制备的催化剂孔径分布均匀,WO₃呈高度分散无定型状态;引入Al₂O₃增加了WO₃/ZrO₂催化剂的中强酸性,对弱酸性和强酸性无明显改变。     

Effect of La2O3 on microstructure, mechanical and tribological properties of Ni-W coatings

In this paper, a Ni-W-La2O3 composite coating was prepared by the electrodeposition method. Microhardness tester and environmental scanning electron microscope equipped energy dispersive spectroscopy were employed to investigate the microhardness and the surface morphology of the composite coatings respectively, and the high temperature friction behavior and corrosion resistance of the coatings against molten glass were investigated by using a high temperature tribometer. The results show that La2O3 can refine the microstructure effectively, and make the element distribution uniform, which leads to the increase of average microhardness. La2O3 particulates can reduce the friction coefficient between the composite coating and glass during the sliding process at about 973 K largely, and the corrosion resistance of the La2O3 added Ni-W coatings is effectively improved compared with that of the non-added one, furthermore the mechanism of friction-reducing and anti-corrosion is also discussed.     

少层Ti_3C_2T_x基复合材料的制备及其光催化性能

通过刻蚀Ti_3AlC_2前驱体制得少层Ti_3C_2T_x(DL-Ti_3C_2T_x),以二甲基亚砜为反应溶剂采用溶剂热法控制氧化DL-Ti_3C_2T_x制备了TiO_2/DL-Ti_3C_2T_x复合材料。借助XRD、SEM、TEM、Raman等对相关样品的物相结构及微观形貌进行表征,并通过罗丹明B的光降解实验评价了所制复合材料的光催化性能。结果表明,复合材料DL-Ti_3C_2T_x片层的表面形成了均匀致密的锐钛矿型TiO_2纳米颗粒,通过控制溶剂热温度能够调控复合材料中DL-Ti_3C_2T_x和TiO_2的相对含量,并且当溶剂热温度为100℃时,所制TiO_2/DL-Ti_3C_2T_x复合材料光催化性能最佳。     

高密度TeO2-Gd2O3-WO3闪烁玻璃颜色调控的研究

采用传统高温熔融法制备了不同玻璃组成的碲钆钨酸盐玻璃（TeO₂-Gd2O₃-WO₃）,通过紫外—可见分光光度计研究了碲钆钨酸盐玻璃在分别固定Gd₂O₃浓度为10 mol%（xTeO₂-10Gd₂O₃-(90-x)WO₃）和20 mol%（yTeO₂-20Gd₂O₃-(80-x)WO₃）时,玻璃光学透过性随WO₃浓度和熔制温度的依赖关系,并借助光碱度理论进行了解释。结果表明,xTeO₂-10Gd₂O₃-(90-x)WO₃玻璃随着玻璃中WO₃浓度由0 mol%增加到60 mol%,碲钆钨酸盐玻璃的颜色由浅黄（低于20 mol%）逐渐变为深棕色（40 ~ 60 mol%）。另一方面,yTeO₂-20Gd₂O₃-(80-y)WO₃（y=40）玻璃随着玻璃熔制温度从1000 ℃升高到1200 ℃,碲钆钨酸盐玻璃的颜色从浅黄（低于1050 ℃）,变为深棕色（1100 ℃）甚至黑色（1200 ℃）。这种颜色变化是由于随WO₃浓度升高,玻璃的光碱度单调增加,导致玻璃截止吸收边红移及玻璃光学透过率降低的共同作用效果。     

TiO2微粉对Al2O3-MgO-Cr2O3浇注料性能的影响

马克思的市民社会决定国家理论的形成,经历了一个思想交锋、自我批判、绵延提升直至最终导出唯物史观之创建的逻辑进程。马克思立足于《莱茵报》时期的感性经历,先后运用哲学、历史学和政治经济学的方法和知识对黑格尔理性国家观进行系统的理论清算,纠正了黑格尔的市民社会与国家关系的“历史错位”,首次确立了“社会本体论”原则。市民社会决定国家理论的形成是标志着唯物史观开始诞生的第一命题。分析马克思市民社会决定国家理论的发展脉络和演进逻辑,有利于澄清马克思市民社会理论与唯物史观的内在关联,科学评价市民社会理论在历史唯物主义中的历史地位。