热处理对富硅氧化硅薄膜中硅纳米晶形成的影响

采用磁控溅射法制备了富硅氧化硅薄膜, 然后分别经过一步热处理、两步热处理和快速热处理制备了镶嵌有硅纳米晶的氧化硅薄膜. 实验结果表明, 在硅含量为～ 42.63 at.%的富硅氧化硅薄膜中, 三种热处理均能形成10¹²/cm²量级的硅纳米晶. 其中在两步热处理中, 硅纳米晶的密度最高, 达到2.2× 10¹²/cm², 并且尺寸均匀、结晶完整性好; 一步热处理后的样品中, 硅纳米晶密度较低, 并且部分纳米晶结晶不充分; 快速热处理后的样品中, 硅纳米晶密度最低、尺寸分布不均匀, 并且存在孪晶结构. 分析认为, 热处理初始阶段的形核过程对纳米晶的密度及微观结构有着重要的影响, 两步热处理中的低温段促进了纳米晶的成核, 有助于形成高密度高质量硅纳米晶.     

虚晶近似法研究AlN-Al2O3固溶体系的力学性能和电子结构

基于密度泛函理论的第一性原理平面波赝势方法, 运用虚晶近似方法计算了AlN-Al₂O₃固溶区内尖晶石相氮氧化铝(Al₂₄O₂₄N₈, Al₂₃O₂₇N₅和Al₂₂O₃₀N₂)和α-Al₂O₃, AlN的力学性能和电子结构. 结果证明虚晶近似法应用到氮氧化铝结构计算中是可行的. 力学常数计算结果和弹性模量B, 剪切模量G, 杨氏模量E反映的材料硬度变化趋势与实验基本一致;Al₂O₃-AlN固 溶区内五种结构均为脆性性质且Al₂₃O₂₇N₅脆性最低, 硬度高、脆性低的特性反映了Al₂₃O₂₇N₅优异的抗弯强度性能. 五种结构满足力学结构上的稳定性, 立方尖晶石相氮氧化铝表现为弹性各向异性. 能带和态密度的计算分析表明这五种结构均为直接宽带隙结构. 在费米能级附近, 氮氧化铝结构中阴离子的2p态和阳离子的3s, 3p态发生了轨道杂化. 理论结果与实验数据基本符合, 为进一步研究提供了一定的理论方法和依据.     

烧结Nd-Fe-B磁体的微观结构和冲击韧性研究

对烧结Nd₁₅Fe_72-xCo_yNb_xB₈(y=0, 5;x=0, 05, 10, 15, 20, 25)永磁体的微观结构和冲击韧性及二者间的关系进行了研究.结果表明，添加Nb能够改善Nd-Fe-B磁体的微观结构，提高磁体的冲击韧性.当无Co磁体中Nb的原子百分含量为15%时，其冲击韧性达到最大；对于添加了Co的磁体，其冲击韧性的     

纳米晶ZrO2:Er3+-Yb3+的制备及其室温上转换发射

用化学共沉淀法制备了ZrO₂:Er³⁺-Yb³⁺纳米晶粉体，所制备的纳米晶粉体具有较强的室温上转换发射和红外发射.研究了样品的晶体结构和上转换发光性质随着Yb³⁺掺杂浓度和煅烧温度的变化关系.通过X射线衍射谱分析发现，经800℃煅烧2h后得到的ZrO₂:Er³⁺-Yb³⁺纳米晶是四方相和单斜相的混合结构，经950℃煅烧2h后得到的样品以单斜相为主，随着Y     

Dy3+/Nd3+掺杂对Sr4Al14O25:Eu2+陷阱能级的影响

采用高温固相法合成了Sr₄Al₁₄O₂₅: Eu²⁺,Sr₄Al₁₄O₂₅: Eu²⁺,Dy³⁺和Sr₄Al₁₄O₂₅: Eu²⁺,Nd³⁺材料,研究了Dy³⁺或Nd     

o-C8碳：新的超硬碳同素异形体

通过粒子群优化算法和密度泛函计算,证明了空间群为PMMA的正交晶系的碳同素异形体o-C₈是稳定的超硬相. 声子谱计算表明,o-C₈碳相是动力学稳定的;体积压缩计算表明,它是体模量为298.6 GPa的高度不可压缩材料. o-C₈相是一种新型的密度为2.993 g/cm³、维氏硬度为67.0 GPa的低密度超硬材料.     

Gd2O3:Eu3+纳米晶的燃烧合成及光致发光性质

采用柠檬酸作燃烧剂用燃烧合成法制备了Gd₂O₃:Eu³⁺纳米晶.用X射线衍射仪(XRD)、高分辨透射电子显微镜(HRTEM)和荧光分光光度计等对Gd₂O₃:Eu³⁺纳米晶的结构、形貌和发光性能进行了分析.结果表明：不同柠檬酸与稀土离子配比(C/M)制备的样品经800℃ 退火1 h后，均得到了纯立方相的Gd₂O₃:Eu³⁺纳米晶，晶粒尺寸约为30 nm，尺寸分布较窄，其中以C/M=1.0时制备的纳米晶结晶性最好，发光强度最大.Gd₂O₃:Eu³⁺纳米晶主发射峰位置均在612 nm处 (⁵D₀→⁷F₂跃迁)，激发光谱中电荷迁移态发生红移，观察到Gd³⁺向Eu³⁺的有效能量传递.对柠檬酸与稀土离子配比(C/M)对结晶度、发光性质等的影响也进行了分析和讨论.     

环戊酮光电离解离的实验和理论研究

本文介绍了真空紫外光电离质谱结合理论计算研究环戊酮单分子的光电离解离过程. 在9.0∽15.5 eV能量范围内,测量了环戊酮离子及其碎片离子的光电离效率曲线. 通过光电离效率曲线,将环戊酮分子的电离能确定为9.23±0.03 eV,并确认碎片离子为：C₅H₇O⁺,C₄H₅O⁺,C₄H₈⁺,C₃H₃O⁺,C₄H₆⁺,C₂H₄O⁺,C₃H₆⁺,C₃H₅⁺,C₃H₄⁺,C₃H₃⁺,C₂H₅⁺, C₂H₄⁺. 利用量子化学计算方法,在ωB97X-D/6-31+G(d,p)理论水平基础上,提出了C₅H₈O⁺的解离机制. 通过对环戊酮解离路径的分析,发现开环和氢迁移过程为环戊酮离子解离的主要路径.     

离子注入金红石单晶生成的金属Ni纳米晶的磁学性能研究

 研究了能量为64keV、注量1×10¹⁷cm^-2的Ni离子注入金红石TiO₂单晶制备的植入金属纳米晶的微观结构和磁学性能。注入层的结构和磁学性能采用透射电子显微分析（TEM）和超导量子干涉磁强计（SQUID）进行分析。结果表明，金红石单晶中有尺寸为3～18nm的金属Ni纳米晶生成，注入区域基体明显非晶化。10K温度下金属Ni纳米晶的矫顽力约为16.8kA·m^-1，比Ni块材的矫顽力大。样品的零场冷却/有场冷却（ZFC/FC）曲线表明，金属Ni纳米晶的截止温度约为85K。     

异戊二烯解离光电离理论研究

利用CBS-QB3理论计算方法研究了异戊二烯的可能解离通道.获得了主要碎片离子C₅H₇⁺,C₅H₅⁺,C₄H₅⁺,C₃H₆⁺,C₃H₅⁺,C₃H₄⁺,C₃H₃⁺的C₂H₃⁺的结构以及这些解离通道的解离能,并给出了相应的过渡态和中间体的结构和位垒.得到的异戊二烯电离势及主要碎片离子的出现势均与实验值符合的较好.最后,通过理论和实验结果的对比讨论了各通道的解离机理.     

A study on the congregation of Nd-rich phases on the surfaces of sintered Nd–Fe–B magnet

The congregation of Nd-rich phases on the surfaces of sintered Nd–Fe–B magnets is observed in this work. The thickness of the Nd-rich congregated layers is about 20–60 μm. The congregated phases in the base plane and hard plane are quite different. On the base plane, the gain boundary in the surface layer is obscure. On the hard plane, a strange structure like eutectic phase can be found between the matrix and the surface. This behavior of Nd-rich phases can be comprehended by referring to thermodynamics.     

Improved magnetic properties and fracture strength of NdFeB by dehydrogenation

Effects of the dehydrogenation of the hydrogen decrepitated (HD) powders on the magnetic properties and the fracture strength of sintered NdFeB magnets were studied. It was found that the lattice parameters and the crystal phase of NdFeB changed significantly with the various hydrogen contents of the resultant HD powders due to the different degrees of dehydrogenation. The magnetic properties and fracture strength increased with decreasing hydrogen content, reaching the maximum increases of 200% for both intrinsic coercivity and bending strength, which can be ascribed to the improved microstructure of the sintered NdFeB magnets. The hydrogen remaining in the HD powders diffused out and affected drastically the grain and grain boundaries by the hydrogen out-take channel during the subsequent sintering process.     

Re-exchange of Fe and Cu at the interface in sintered Nd–Fe–B magnets: A method to eliminate Fe precipitation at grain boundaries

According to the decoupling hypothesis for magnetic grains, the coercivity in sintered Nd–Fe–B magnets is increased after Cu doping, which is due to the formation of non-magnetic grain boundaries. However, this method partially fails, and ferromagnetic Fe-segregation occurs at the grain boundary. We discovered both experimentally and through calculation that the Fe content at the grain boundaries can be tuned across a wide range by introducing another element of Ag. Segregated Fe at high temperature at the grain boundary re-dissolves into Nd₂Fe₁₄B grains during annealing at low temperature. Both configurable and magnetic entropies contribute a large driving force for the formation of nonmagnetic grain boundaries. Almost zero Fe content could be achieved at the grain boundaries of sintered Nd–Fe–B magnet.     

Nb含量对烧结NbFeB永磁体磁性能及显微结构的影响

关键词：     

A preparation method and effects of Al–Cr coating on NdFeB sintered magnets

A 50 μm Al–Cr coating on NdFeB sintered magnets was prepared through dipping in solution, shaking dry and heating at 300 °C. The morphology and composition of the Al–Cr coating were investigated with scanning electron microscope, energy dispersive spectrometer and X-ray diffraction. The corrosion resistance of NdFeB sintered magnets with and without the Al–Cr coating was analyzed by normal salt spray, polarization curves and electrochemical impedance spectroscopy. The magnetic properties were measured with a hysteresis loop tracer. The results show that the Al–Cr coating forms an overlapping structure and Al flakes lie nearly parallel to the substrate, which improves the anticorrosion and increases normal salt spray test from 10 to 100 h. The corrosion potential of NdFeB sintered magnets with and without the Al–Cr coating moves positively from −0.67 to −0.48 V, which is in accordance with Nyquist and Bode plots. The Al–Cr coating has little influence on the magnetic properties of the NdFeB sintered magnets.     

稀土含量对速凝工艺制备(Nd,Dy)-(Fe,Al)-B合金结构和磁性能的影响

采用双合金法制备了不同稀土含量的(Nd,Dy)-(Fe,Al)-B合金系列,研究了稀土含量的多寡对薄带和最终烧结磁体的微观结构和磁性能的影响.研究结果表明,适量的稀土含量(～3145%)不仅能改善速凝带主相(Nd,Dy)₂Fe₁₄B的单相性,还有利于富稀土(Nd,Dy)相在晶界的均匀分布.当主相薄带的稀土含量在接近2∶14∶1相稀土含量时,磁体的内禀矫顽力和磁能积显著提高.当稀土含量较少时,对速凝薄带的合适时效热处理将能有效地提高最终烧结NdFeB磁体的磁特性. 关键词： 双相烧结 速凝技术 微观结构 磁性能     

Effect of very small additions on the coercivity of Dy-free Nd–Fe–(Co)–B-sintered magnets

The effect of small substitutions on the coercivity of Nd–Fe–B and Nd–Fe–Co–B-sintered magnets has been investigated. Addition of 0.18 at% Ga was found to be the most effective for improving the coercivity in both Nd–Fe–B and Nd–Fe–Co–B without decreasing much the remanent magnetization. Scanning electron microscopy on Ga-free and Ga-added magnets did not reveal a noticeable difference in phase morphology. However, Fe and especially Co concentrations in the intergranular Nd-rich phase were found to be markedly increased after the small Ga addition. Combined addition of Co with a small amount of Cu did not increase the coercivity of the Dy-free magnets. However, none of the examined very small additives can yet be considered as an alternative to Dy for extending operating temperature range of the high-energy Nd–Fe–B magnets.     

Analysis of Distribution of the Surface Magnetic-Field Gradient in (PrDy)(FeCo)B Rare-Earth Magnets

The main parameters of the domain structure of a (PrDy)(FeCo)B sintered permanent magnet are determined using magnetic force microscopy analysis of the magnetic-gradient distribution near the magnet surface. It is shown that the domain wall energy and width are not sensitive to the replacement of Nd with Pr and Dy in the studied RE-TM-B alloy. The anisotropy and exchange interaction constants are obtained. Two competitive processes of magnetization reversal (pinning and nucleation) are defined in sintered permanent magnets (PrDy)(FeCo)B.     

烧结Nd-Fe-B中的热力学影响

在烧结Nd-Fe-B中，各种相的形成，添加元素原子的替代、对磁体的微结构和性能的影响以 及大多数工艺与热力学都有密切联系.Al，Cu，Ga，Sn，Zn等与B均具有正的混合焓，在主相 中的浓度都很低，与富 Nd相反应改善磁体的微结构. Zi,Ti，Nb，W，Mo，V等与Nd有很大的 正的混合焓，与B具有很大的负的混合焓，能优化磁体的微结构和稀释磁体.参考热力学，系 统讨论了各种常用添加元素对烧结Nd-Fe-B的微结构、性能和制造工艺的影响. 关键词： Nd-Fe-B永磁体 混合焓 烧结     

Effect of post-sintering annealing on microstructure and coercivity of Al85Cu15-added Nd-Fe-B sintered magnets

Effects of post-sintering annealing on the microstructure and coercivity have been investigated for the Al₈₅Cu₁₅-added (Pr, Nd)_14.8Fe_78.7B_6.5 sintered magnets. It is found that the optimum annealing temperature at which the coercivity _iH_c reaches a maximum decreases from 550 °C for the magnets added with 0.3% and 0.6% Al₈₅Cu₁₅ to 480 °C for the magnets added with 0.9% and 1.2% Al₈₅Cu₁₅. The decrease in optimum annealing temperature is related to the precipitation of Al-Cu or (Pr, Nd)−Cu liquid phase among (Pr, Nd)-rich phases during annealing. Existence of Al-Cu or (Pr, Nd)−Cu liquid phase is beneficial to dissolve the irregularities of (Pr, Nd)₂Fe₁₄B grain interface and increase the quantities of (Pr, Nd)-rich phases at the grain boundary, thus optimizing the grain boundary microstructure. The modifications of the microstructure are helpful to decouple the exchange interaction between (Pr, Nd)₂Fe₁₄B hard magnetic grains, thereby increasing the coercivity.