晶格振动对Ti-Al系统相稳定的影响

在电子结构计算的基础上,利用集团变分方法（ＣＶＭ）研究了Ｔｉ－Ａｌ系统的高温相稳定,并且动用两种方法考虑晶格振动对相稳定的影响。结果发现,利用连续介质模型考虑的晶格振动对系统相稳定几乎无影响,而利用Ｍｏｂｉｕｓ反演对势并计算晶格振动谱的方法考虑的晶格振动对系统相稳定有明显的影响,说明在讨论晶格振动对合金相稳定的影响时,晶格振动的光学模是很重要的。     

机械合金化合金相形成机制的研究现状

机械合金化是制备难熔金属的非晶合金，不互溶金属的过饱和固溶体和纳米多晶的新方法，简单综述了机械合金化过程中合金相形成的机制。除了亚稳平衡下的层扩散机制外，在机械合金化过程中多晶型约束以及自助放热反应也会控制相的形成和产生。     

高压击穿铜丝物相研究

采用高压放电的方式对材料进行击穿,可以方便地制造纳米颗粒．搭建了高压击穿实验装置,对铜丝进行高压击穿实验;分别采用透射电子显微镜（TEM）、扫描电子显微镜（SEM）和元素能谱（EDS）、X射线衍射（XRD）测试,对铜丝击穿丝状物进行了形貌和成份分析．研究了铜丝高压击穿后的物相特性．研究结果发现,在高压作用下铜丝被充分电离,产生丝状分布,其构成为纳米颗粒的凝结;纳米颗粒的直径分布主要集中在30—60nm之间;颗粒产物由铜元素和氧元素组成;它们以单晶Cu,Cu2O和CuO组成混合物;粒径大小、产物成分与铜丝长度、直径及电压等因素相关．     

Ni-Nd-B合金的性能研究

采用电弧式熔体快淬/吸铸技术，制备了不同成分的Ni-Nd-B试样，借助X射线衍射、扫描电子显微镜、热分析法、静态磁性测试仪等手段进行了分析。研究发现，用电弧式熔体快淬/吸铸技术可以较成功制备系列直径6 mm的Ni-Nd-B大块非晶，且满足深度共晶成分试样表，表现出较理想的非晶形成能力。Ni4NdB材料具有约79.13 ℃的过冷度，Ni13Nd3B2材料具有约69.37 ℃的过冷度；Ni，Nd成分微量变化引起材料较明显的晶化趋向。此外，Ni，Nd成分微量变化导致材料矫顽力、饱和磁化强度减小。     

Ni-Nd-B合金的性能研究

采用电弧式熔体快淬/吸铸技术,制备了不同成分的Ni-Nd-B试样,借助X射线衍射、扫描电子显微镜、热分析法、静态磁性测试仪等手段进行了分析。研究发现,用电弧式熔体快淬/吸铸技术可以较成功制备系列直径6 mm的Ni-Nd-B大块非晶,且满足深度共晶成分试样表,表现出较理想的非晶形成能力。Ni4NdB材料具有约79.13 ℃的过冷度,Ni13Nd3B2材料具有约69.37 ℃的过冷度;Ni,Nd成分微量变化引起材料较明显的晶化趋向。此外,Ni,Nd成分微量变化导致材料矫顽力、饱和磁化强度减小。     

FTIR和XPS对含低价Cr混合物物相分析的应用研究

因Cr的可变价态较多,且在制备低价Cr氧化物过程中,经常出现不同价态的中间体过渡产物,这些过渡产物的性质各异,往往对最终产物的形貌特征产生显著影响。以KCrO₂为原料制备低价Cr化合物的过程中出现了组成比较复杂的中间产物,为探讨反应机理并优化工艺流程,文章结合光电子能谱(XPS),傅里叶变换红外光谱(FTIR),X射线衍射(XRD),电感耦合等离子发射光谱(ICP-AES)元素分析和化学滴定分析对KCrO₂的还原中间产物进行了物相分析。XPS能谱分析表明, 还原中间产物中Cr元素是以三价形态存在的;对不同还原温度所得的中间产物的FTIR与其他方法所得的水合氧化Cr的FTIR进行比较, 并结合XRD测试,元素分析,化学分析结果可以得出下面结论：中间产物主要组成为Cr(OH)₃·nH₂O,CrOOH。还有少量的KOH或KCrO₂。在对中间物相分析的基础上, 对还原过程可能发生的反应进行了推测。     

添加Ti对Al-Bi难混溶合金组织和性能的影响

难混溶合金在凝固过程中极易发生液-液相分离,造成第二相的宏观偏析,失去了合金的应用价值.本文将第三组元Ti添加到Al-Bi难混溶合金中,研究了Ti的添加对合金的凝固组织和性能的影响,探索了原位生成的金属间化合物的存在形式,分析了第二相Bi颗粒的分布.研究结果表明,凝固过程中原位生成的长针状Al_3Ti化合物,均匀分布在Al基体中,穿插在Bi相颗粒之间,阻碍了Bi相颗粒的沉降及凝并,防止了Bi相颗粒的碰撞及长大,制备了Bi相弥散分布在Al基体中的难混溶合金;同时弥散分布在基体中的硬质相Al_3Ti还增强了基体的强度,提高了合金的硬度,使合金表现出优异的耐磨性能.     

Superconductivity in Mg-Doped Layered Intermetallic Compound NbB2

We have performed low temperature resistivity p（T） and specific heat C（T） measurements on a superconducting polycrystalline Nb0.75Mg0.25B2 sample. The results indicate that the superconducting transition temperature is -4.6 K. The zero temperature upper critical field determined from the resistivity and specific heat is 3123 Oe. The electronic coefficient of specific heat γn=4.51 mJmol^-1K^2 and the Debye temperature θD=419 K are obtained by fitting the zero-field specific heat data in the normal state. At low temperatures, the electronic specific heat in the superconducting state follows Ces/γnTc = 2.84 exp（-1.21Tc/T）. This indicates that the superconducting pairing in Nb0.75Mg0.25B2 has s-wave symmetry.     

合金元素韧化或脆化FeAl金属间化合物的微观机制

通过测量二元FeAl以及含B，Zr或Si的FeAl合金的正电子寿命谱参数，计算合金基体和缺陷处的价电子密度.结果表明，当Al原子和Fe原子结合形成FeAl合金时，Al原子提供价电子与Fe原子的3d电子形成局域的共价键.FeAl合金基体的价电子密度很低，FeAl合金中金属键和共价键共存.FeAl合金晶界缺陷的开空间大于Fe空位或Al空位的开空间，FeAl合金晶界处的金属键合力很弱.在FeAl合金中加入少量的B，一部分B原子以间隙方式固溶到FeAl基体中，增加基体的价电子密度；另一部分B原子偏聚到FeAl合金的晶界上，也增加了晶界处的价电子密度.在FeAl合金中加入Zr，增加了合金中的金属键成分，使基体中的价电子密度增加，增强了基体中金属键合力.Zr原子的加入还降低了FeAl合金的有序度，使合金晶界容易弛豫，晶界缺陷的开空间变小.Zr原子在晶界附近出现，还增加了晶界处的价电子密度.在FeAl中加入B或Zr有利于提高合金的韧性.在FeAl合金中加入Si，晶界处的Si原子与邻近的原子形成强的共价键，使得在晶界处参与形成金属键的价电子密度降低.在FeAl中加入Si使合金更脆. 关键词：     

Synthesis and characterization of Ni-Zn ferrite nanoparticles

Nickel zinc ferrite nanoparticles Ni_xZn_1−xFe₂O₄ (x=0.1, 0.3, 0.5) have been synthesized by a chemical co-precipitation method. The samples were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, electron paramagnetic resonance, dc magnetization and ac susceptibility measurements. The X-ray diffraction patterns confirm the synthesis of single crystalline Ni_xZn_1−xFe₂O₄ nanoparticles. The lattice parameter decreases with increase in Ni content resulting in a reduction in lattice strain. Similarly crystallite size increases with the concentration of Ni. The magnetic measurements show the superparamagnetic nature of the samples for x=0.1 and 0.3 whereas for x=0.5 the material is ferromagnetic. The saturation magnetization is 23.95 emu/g and increases with increase in Ni content. The superparamagnetic nature of the samples is supported by the EPR and ac susceptibility measurement studies. The blocking temperature increases with Ni concentration. The increase in blocking temperature is explained by the redistribution of the cations on tetrahedral (A) and octahedral (B) sites.     

A study of the Al-Cu-Co phase diagram and the solidification of alloys containing decagonal phase

The ternary Al-Cu-Co phase diagram was studied in order to revise the region of 50–75 at.% Al. The study was carried out by optical microscopy, scanning electron microscopy, transmission electron microscopy and powder X-ray diffraction. Isothermal 800°C, 600°C and 540°C sections are presented. The development of the composition range of the decagonal phase with temperature is discussed.     

Effect of Pr doping on magnetic and dielectric properties of Ni-Zn ferrites by “one-step synthesis”

Pr³⁺-doped Ni-Zn ferrites with a nominal composition of Ni_0.5Zn_0.5Pr_xFe_2−xO₄ (where x=0-0.08) were prepared by a one-step synthesis. The magnetic and dielectric properties of the as-prepared Ni-Zn ferrites were investigated. X-ray diffraction data indicated that, after doping, all samples consisted of the main spinel phase in combination of a small amount of a foreign PrFeO₃ phase. The lattice constants of the ferrites initially increased after Pr³⁺ doping, but then became smaller with additional Pr³⁺ doping. The addition of Pr³⁺ resulted in a reduction of grain size and an increase of density and densification of the as-prepared samples. Magnetic measurement revealed that the saturation magnetization of the as-prepared ferrites, M_s, decreased, while the coercivity, H_c, increased with increasing substitution level, x, and the Curie temperature, T_c, kept a rather high value, fluctuating between 308 and 320 °C. Both the real and imaginary parts of permeability of the ferrites decreased slightly after Pr³⁺ doping. However, the natural resonance frequency shifted towards higher frequency from 13.07 to 36.17 MHz after the addition of Pr³⁺, driving the magnetic permeability to much higher frequency, reaching the highest value (36.17 MHz) when x=0.04. Introduction of Pr³⁺ ions into the Ni-Zn ferrite reduced the values of the dielectric loss tangent, especially in the frequency range of 1-400 MHz. However, the magnitude of dielectric loss of the samples doped with different amounts of Pr³⁺ raised little.     

傅里叶变换条纹位相分析技术中移频消去载频法对位相分析的影响

在理论上分析了傅里叶变换位相分析技术中的移频消去载频法,由于采样的离散化,不同的条纹周期对位相分析将产生不同的影响。利用计算机仿真,模拟了不同周期的条纹图以及形变条纹图,根据傅里叶变换频移法,获得了不同周期条纹图的位相分布及误差,同时与"减基准条纹法"获得的位相分布及误差进行比较,验证了不同条纹周期对位相分析产生的影响。以花瓶为目标物体,在实验中进一步验证了采样的离散化对位相分析带来的误差和影响。并且讨论了两种减弱这种误差的方法。     

基于因子分析方法的相位同步脑电源的时-空动力学分析

头皮脑电时间序列的相关性是大脑皮层源的相位同步性的一种体现,因此对相位同步源进行定位,同时找到源对应的时间序列在脑成像研究领域具有重要意义.基于Rössler 模型提出仿真相位同步偶极子源的时间序列的方法,利用时间序列进行同心四层球头模型正演,获得仿真头皮脑电数据.提出了基于最大似然因子分析的相位同步脑电源的时-空动力学分析方法,对仿真和真实头皮脑电数据进行了验证,并与主成分分析法进行对比.仿真实验结果表明:最大似然因子分析法估计的时间序列与仿真源的时间序列具有更高的相关系数,同时估计源与仿真源 关键词： 脑电图 相位同步 因子分析 主成分分析     

Magnetic phase transition and the corresponding magnetostriction of intermetallic compounds RMnsGe2（R=Sm,Gd）

The temperature dependence of lattice constants a and c of intermetallic compounds RMn₂Ge₂ (R=Sm, Gd) is measured in the temperature range 10－800K by using the x-ray diffraction method. The magnetoelastic anomalies of lattice constants are found at the different kinds of spontaneous magnetic transitions. The transversal and longitudinal magnetostrictions of polycrystalline samples are measured in the pulse magnetic field up to 25T. In the external magnetic field there occurs a first-order field-induced antiferromagnetism－ferromagnetism transition in the Mn sublattice, which gives rise to a large magnetostriction. The magnitude of magnetostrictions is as large as 10^-3. The transversal and longitudinal magnetostrictions have the same sign and are almost equal. This indicates that the magnetostriction is isotropic and mainly caused by the interlayer Mn－Mn exchange interaction. The experimental results are explained in the framework of a two-sublattice ferrimagnet with the negative exchange interaction in one of the sublattices by taking into account the lattice constant dependence of interlayer Mn－Mn exchange interaction.     

Mg-Y-Zn合金三元金属间化合物的电子结构及其相稳定性的第一性原理研究

采用基于密度泛函的第一性原理平面波赝势方法计算Mg-Y-Zn合金三元金属间化合物X-Mg₁₂YZn 相和W-Mg₃Y₂Zn₃相的晶格常数、形成焓和电子结构. 形成焓的计算结果表明, X-Mg₁₂YZn相和W-Mg₃Y₂Zn₃相都具有负的形成焓, 并且W-Mg₃Y₂Zn₃相的形成焓更低; 电子结构的计算分析表明, W-Mg₃Y₂Zn₃相成键峰主要来自Mg的2p轨道、Zn的3p轨道和Y的4d轨道的贡献. 而X-Mg₁₂YZn相成键峰主要来自Mg的3s和2p轨道、Zn的3p轨道和Y的4d轨道的贡献. 对W-Mg₃Y₂Zn₃相(011)面和X-Mg₁₂YZn相(0001)面的电荷密度分析表明, 两相中Zn-Y原子间都形成了共价键, 且W-Mg₃Y₂Zn₃相的共价性比X-Mg₁₂YZn相的共价性更强. 在费米能级低能级处, W-Mg₃Y₂Zn₃相具有更多的成键电子数, 决定了W-Mg₃Y₂Zn₃相比X-Mg₁₂YZn相有更好的相稳定性.     

Structural,magnetic, and dielectric properties of Ni–Zn ferrite and Bi_2O_3 nanocomposites prepared by the sol-gel method

Ni–Zn ferrite and Bi_2O_3 composites were developed by the sol-gel method. The structural, magnetic, and dielectric properties were studied for all the prepared samples. X-ray diffraction(XRD) was performed to study the crystal structure.The results of field emission scanning electron microscopy(FE-SEM) showed that the addition of Bi_2O_3 can increase the grain size of the Ni–Zn ferrite. Magnetic properties were analyzed by a hysteresis loop test and it was found that the saturation magnetization and coercivity decreased with the increase of Bi_2O_3 ratio. In addition, the dielectric properties of the Ni–Zn ferrite were also improved with the addition of Bi_2O_3.     

Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys

All the quantitative phase field models try to get rid of the artificial factors of solutal drag,interface diffusion and interface stretch in the diffuse interface.These artificial non-equilibrium effects due to the introducing of diffuse interface are analysed based on the thermodynamic status across the diffuse interface in the quantitative phase field model of binary alloys.Results indicate that the non-equilibrium effects are related to the negative driving force in the local region of solid side across the diffuse interface.The negative driving force results from the fact that the phase field model is derived from equilibrium condition but used to simulate the non-equilibrium solidification process.The interface thickness dependence of the non-equilibrium effects and its restriction on the large scale simulation are also discussed.