(Nd1-xErx)3Fe27.31Ti1.69化合物的磁晶各向异性

用振动样品磁强计并结合X射线衍射准确判定了Nd_2.4Er_0.6Fe_27.31Ti_1.69化合物的磁晶各向异性方式, 研究结果发现, Nd_2.4Er_0.6Fe_27.31Ti_1.69化合物的磁晶各向异性从室温时的易面转变到低温时的易锥.     

钕铁硼强磁性材料的冲击加载实验和数值模拟研究

为了研究钕铁硼(Nd2Fe14B)强磁体在冲击加载作用下的动态力学性能,建立了炸药爆炸平面波冲击加载实验装置,进行了冲击加载实验.采用锰铜压阻测压技术测量了磁体中冲击波压力,获得了不同强度冲击波加载作用下磁体中冲击波压力.建立了Nd2Fe14B磁体冲击加载实验的计算模型,对炸药爆炸冲击加载磁体过程进行了数值模拟计算,计算结果与实验结果相吻合.分析了Nd2Fe14B磁体中冲击波传播规律,给出了Nd2Fe14B磁体中冲击波压力按指数规律衰减的计算公式.     

Dy对Nd60Fe30Al10磁性能的影响

通过X射线衍射仪、 差热扫描量热仪和振动样品磁强计研究Dy对Nd-Fe-Al非晶合金的热稳定性及磁性能的影响. 结果表明, 加入Dy可提高非晶合金的热稳定性, (Nd_1-xDy_x)₆₀Fe₃₀Al₁₀（x=0,0.1,0.2）非晶合金的剩磁随Dy质量分数的增加呈单调下降趋势, 矫顽力随Dy质量分数的增加而增加. Nd\|Fe\|Al非晶合金的矫顽力来源于稀土元素较大的磁晶各向异性场.      

Electronic structure and magnetism of compound Nd_2Fe_(17)N_3

The electronic structure and magnetism of compound Nd\-2Fe 17 N\-3 has been studied with MS_Xα method. It was found that there are negative exchange couplings between Fe(f) and Fe(c) atoms in Nd\-2Fe 17 N x compounds. The interstitial N atoms make the unit cell volume of the compounds increase a little, and hence the strength of negative exchange coupling decreases.     

磁控溅射表面镀膜对Nd2Fe14B稀土永磁体抗腐蚀性能的影响

在Nd₂Fe₁₄B稀土永磁体基体表面,采用磁控溅射（直流+射频）技术制备了Ti/Ni,Ti/Al和Al/Ni等二元合金薄膜和Ti/Al/Ni三元合金薄膜。并通过中性盐雾试验、腐蚀失重计算、电化学腐蚀试验、金相观察等方式,对比研究了不同表面处理对Nd₂Fe₁₄B稀土永磁体基体抗腐蚀性能的影响,并构建了腐蚀模型。研究发现：Ti/Ni,Ti/Al和Al/Ni等二元合金薄膜和Ti/Al/Ni三元合金薄膜均有效地提高了Nd₂Fe₁₄B稀土永磁体基体耐中性盐雾腐蚀和电化学腐蚀的能力;Ti/Al/Ni三元合金薄膜较Ti/Ni,Ti/Al和Al/Ni等二元合金薄膜有更优良的综合耐腐蚀性能,其磁控溅射工艺参数为：Ar流量60 sccm,基片温度常温,Ni,Al,Ti的溅射功率都为250 W,基片转速20 r·min^-1,镀膜均速0.3 nm·s^-1,总计溅射时间1 h。     

Nd<Subscript>2</Subscript>Fe<Subscript>17</Subscript> nanograins effect on the coercivity of HDDR NdFeB magnets with low boron content

Relationships between the coercivity of hydrogenation disproportionation desorption recombination (HDDR) Nd_12.5Fe_81.5−x Co₆B _x bonded magnets and boron content were investigated. Nd₂Fe₁₇ phase with planar magnetic anisotropy is present in the microstructure when x= 4at%–5.88at%, which does not reduce the coercivity of the bonded magnets. High-resolution transmission electron microscopy (TEM) images show that Nd₂Fe₁₇ phase exists in the form of nanocrystals in the Nd2Fe14B matrix. There is an exchange-coupling interaction between the two phases so that the coercivity of HDDR Nd_12.5Fe_81.5−x Co₆B _x bonded magnets is hardly reduced with a decrease in boron content.     

Simulation for the primary electronic donor of photosystem IIin vitro

Histidine coordinated to Chi a is a distinct characteristic of Chl ain vivo. By using histidine analogue of 1-methylimidazole (C₄H₆N₂2) and measuring the UV/vis absorption, CD and MCD spectra of the interaction between C₄H₆N₂ and Chl a in CCI₄, we have obtained that: (i) In pure CCl₄ solvent, Chl a molecule is in five-coordinate state, and two Chl a molecules form an asymmetric compact-dimer with strong coupling interaction. We propose that the two Chl a molecules are connected by two unequally coordinated Mg-O bonds (the two oxygen atoms come from the C=O of C13¹ keto and C17 ester, respectively); (ii) when the molar ratio of C₄H₆N₂/Chl a is 0.5 or 1 (corresponding to 2Chl a · 1C₄H₆N₂ and 2Chl a · 2C₄H₆N₂, respectively), significant changes have been observed in the absorption, CD and MCD spectra, which indicate that the Chl a remains in dimer form, but the coupling interaction between them reduces greatly. We postulate that C₄H₆N₂ replaces the ligation of C=O of C17 ester and C13¹ keto to Mg atoms sequentially. The two Chl a molecules linked by two weakly interacted Mg…O bonds form a relaxed-dimer. The structure of the model is essentially similar to that of the primary electronic donor, P₆₈₀, of photosystem II in high plants and algae.     

<Emphasis Type="Italic">Ab initio</Emphasis> study of the effects of Ag/Mn doping on the electronic structure of LiFePO<Subscript>4</Subscript>

Based on density functional theory （DFT） of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li（Fe1-x）PO4 （Me = Ag/Mn, x = 0-0.40） are calculated by plane wave pseudo-potential method using Cambridge serial total energy package （CASTEP） program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands （CBs） due to the Ag doping. The Li（Fe1-xAgx）PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands （CBs）, which is ascribed to the interaction between Mn（3d） electrons and Fe（4s） electrons. The intensity of the partial density of states （PDOS） near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li（Fe1-xMnx）PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

PPY@Fe_3O_4的制备及其磁共振成像和光热性能

通过合理转化残余铁(Fe)在聚吡咯(PPY)纳米粒子原位生产了磁性四氧化三铁(Fe_3O_4)晶体,从而合成PPY@Fe_3O_4纳米粒子.得到的PPY@Fe_3O_4纳米粒子具有突出的横向弛豫时间(T_2)加权磁共振成像(MRI)效果和良好的光热性能,在肿瘤的诊断和治疗中具有良好的应用前景.     

Kinetic studies of the decomposition reaction of adducts of dinuclear Fe(Ⅱ)/O2

Kinetic studies of the decomposition reaction of dinuclear Fe(Ⅱ) adducts [Fe₂(N-Et-HPTB){O₂P(OPh)₂}](Cl- O₄)₂ (1) and [Fe₂(N-Et-HPTB) {O₂P(Ph)₂}] (ClO₄)₂ (2) with O₂ have been carried out at low temperature using UV-vis spectra. The decomposition reaction of Fe(Ⅱ)/O₂ adducts was first-order in the experimental conditions, and the activation parameters were obtained. ?H^¹ = 85.62 kJ·mol^-1, ?S¹ = 19.43 J·mol^-1·K^-1 for compound (1) and ?H^¹ = 97.97 kJ·mol^-1, ?S^¹ = 55.68 J·mol^-1·K^-1 for compound (2). These results are similar to those of dioxygen adducts of other metals complexes and natural enzymes such as methane mono- oxygenase (MMOH).     

堆焊Mo-Cr-Fe-B合金覆层的组织及性能研究

采用自制Mo-Cr-Fe-B系药芯焊丝通过堆焊法在Q235钢基体表面制备覆层。借助光学显微镜、SEM、XRD、EDS、显微硬度计、磨损试验机等对覆层及结合界面的组织结构、物相、硬度分布及耐磨性进行了表征与分析,并研究了覆层堆焊成型的反应过程。结果表明,覆层主要由Mo_2FeB_2、M_3B_2(M:Mo、Cr、Fe)、Fe_2B、Fe(Cr、Mo)等相组成,覆层与钢基体结合良好,在覆层-钢基体界面结合处有元素的扩散,覆层硬度最高可达980HV0.5且耐磨性良好。     

Investigation on nanocomposite magnets by threedimensional atom probe

Nanocomposite permanent magnets have been widely investigated owing to their high theoretical magnetic properties and low cost. The size of nano- composite microstructure is an important microstruc- tural parameter that determines the magnetic properties,…     

Fe_2O_3/TiO_2复合纳米管阵列的制备及其可见光催化性能研究

在氟化铵-乙二醇体系中,采用阳极氧化法在铁基体上制备Fe_2O_3纳米管阵列,然后以氟钛酸铵为钛源,利用水热法在Fe_2O_3纳米管阵列上负载TiO_2纳米片,制得Fe_2O_3/TiO_2复合纳米管阵列,利用SEM、EDS、XRD、TEM、UV-Vis等手段,对所制Fe_2O_3/TiO_2纳米管阵列的表面形貌、物相结构及光催化性能进行表征,并分析Fe_2O_3/TiO_2纳米结构对亚甲基蓝的可见光降解能力。结果表明,Fe_2O_3/TiO_2复合纳米管阵列具有良好的可见光响应;NH_4F浓度为0.4%、水热反应3h制备的Fe_2O_3/TiO_2复合结构具有最佳的光催化性能,对亚甲基蓝的降解率可达90%。     

衬底偏压对γ′-Fe4N薄膜磁性的影响

采用直流磁控溅射方法, 以Ar/N₂（N₂/(Ar+N₂)=10％）为放电气体, 在Si(100)单晶衬底上获得了γ′-Fe₄N薄膜样品. 利用X射线衍射(XRD)和振动样品磁强计(VSM)研究衬底偏压对γ′-Fe₄N薄膜样品的影响. 结果表明, 随着衬底负偏压的增大, γ′-Fe₄N薄膜样品的晶胞参数减小, Fe和N的化合效率与样品的致密度提高, 表面缺陷减少, 矫顽力降低.      

低温电解条件下铝电解用NiFe_2O_4-10NiO基金属陶瓷阳极Fe元素腐蚀行为研究

采用粉末冶金技术制备出铝电解用NiFe2O4-10NiO陶瓷基体和30(40Cu-Ni)/(NiFe2O4-10NiO)金属陶瓷阳极,并在低温电解条件下,对NiFe2O4陶瓷相中Fe元素的腐蚀行为进行研究。结果表明,在烧结过程中,NiFe2O4尖晶石陶瓷基体会在氮气中发生离解,在动态化学腐蚀试验和电解试验中,陶瓷相中的Fe元素更容易进入电解质;电解24h后,铝液中Fe、Ni、Cu的含量分别为0.45%、0.13%和0.03%。     

The effects of coal blending on the formation and properties of particulate matter during combustion

The control of particulate matter (PM) emissions from coal combustion becomes an urgent work due to their adverse effects on human health. Coal blending is a promising option for submicron particulate (PM1) reduction. This study addressed the effects of coal blending on the formation and properties of particulate matter in combustion process. Coal blends from lignite and bituminous coal, with different blend ratios (9:1, 7:3, 5:5, 3:7 and 1:9), were combusted in a drop tube furnace. The mass size distribution, concentration, elemental composition and morphology of the particulate matter generated under O₂/N₂ and O₂/CO₂ conditions were characterized. Particulate matter was collected by a low pressure impactor (LPI), which aerodynamically segregated particulates into thirteen fractions with sizes ranging from 0.03 to 9.8 μm. The results showed that coal blending reduced PM1 generation, compared with the calculated average values from the combustion of constituent coals. This indicated that the mineral interactions had a great effect on PM₁ reduction. The blend ratio also played an important role in the suppression of PM1 generation. In this experimental study, PM1 generation suffered a maximum suppression at the blend ratio of 7:3. The O₂/CO₂ atmosphere affected the formation and properties of the PM1 during coal blends combustion. Compared with the O₂/N₂ combustion, the interaction of minerals was weakened under O2/CO2 combustion, thus the suppression of PM₁ generation decreased after coal blending. Compared with the calculated values, the concentrations and percentages of Ca, Fe in PM₁ decreased, but the concentrations of Ca, Fe, Si and Al in coarse particulates (PM₁₀₊) increased after coal blends combustion. The interactions between the aluminosilicates in the bituminous coal and volatile elements Ca, Fe in the lignite were thought to contribute to the suppression of PM₁ generation during the com-bustion of coal blends.     

合金碳化物(Fe,Mo)_3C的磁性及磁致热力学性质

利用基于第一性原理的VASP软件计算钢中合金碳化物(Fe,Mo)_3C在0 K、0 Pa的磁矩和形成能,利用热力学平衡软件MTDATA计算合金碳化物(Fe,Mo)_3C的化学自由能改变量,利用Weiss分子场理论计算合金碳化物在12 T强磁场下的磁自由能改变量。结果表明,合金碳化物(Fe,Mo)_3C的磁矩主要来源于不同Wyckoff位置的Fe原子,8d位置的Fe原子对磁矩的影响比4c位置的Fe原子更大,而Mo原子会使合金碳化物的磁矩降低;合金碳化物Fe_2MoC、Mo_3C的形成能为负,表明这两种合金碳化物比Fe_3C和FeMo_2C更稳定;另外,Mo原子会降低合金碳化物(Fe,Mo)_3C化学自由能改变量,增大其磁自由能改变量。     

Electron theory analysis about the influence of Cr and Mn on the carbide spheroidization by heat treatment

It is found that the distribution of covalent electron pair number and covalent bond energy was nonuniform in carbides Fe 3C, (Fe,Cr) 3C and (Fe,Mn) 3C, in which the energy difference between the strongest and the weakest bonds is very great. A criterion of covalent bond breaking during the heat treatment of M 3C pattern carbide is presented as follows. If the heat energy \%E\-\%w from heat treatment is higher than the diffusion activation energy \%Q\% of carbon atom in γ_Fe, the less the covalent bond energy \%E\% α is, the earlier the covalent bond α will be broken. According to the criterion, why the breaking of (Fe,Mn) 3C network was easier than that of Fe 3C network and why the breaking of (Fe, Cr) 3C network was more difficult than that of Fe 3C network are explained. It is indicated that Mn promoted the carbide to be spheroidized and Cr hindered the carbide from spheroidization during the heat treatment of carbides spheroidization.     

四氧化三铁-石墨烯复合芬顿催化剂用于染料脱色的研究

芬顿催化是污水处理中最常用的技术之一,但是传统芬顿试剂需要对水体进行酸化并造成大量亚铁离子浪费.本文用水合肼还原法制备了四氧化三铁-石墨烯复合芬顿催化剂(Fe3O4-G),测试其催化脱色甲烯蓝的活性.Fe3O4-G样品用透射电镜、X射线光电子能谱和红外光谱等表征.Fe3O4-G能催化双氧水分解氧化脱色甲烯蓝.Fe3O4-G在pH3.5~9.5范围内均能有效催化脱色甲烯蓝,最佳pH为8.5.Fe3O4-G的催化活性几乎不受溶剂的影响,加入自由基淬灭剂叔丁醇对脱色也没有明显抑制.Fe3O4-G在较高的温度下催化能力更强,增大双氧水用量也能促进脱色反应.     

阿霉素负载的Fe5C2纳米粒子在光热治疗/化疗中的研究

采用高温热解法制备了粒径均一的Fe_5C_2磁性纳米粒子,并在其表面包裹磷脂改善纳米粒子的水溶性和稳定性,同时在纳米粒子表面负载阿霉素(DOX)实现化疗作用.阿霉素负载的Fe_5C_2磁性纳米粒子(Fe_5C_2-DOX-DSPE-m PEG),不仅具有一定的磁学性质,且具有优良的光热转化效率.细胞实验说明该纳米粒子对肿瘤细胞具有光热治疗和化疗协同治疗作用.