铁基纳米晶合金的介观阻抗率及应用

提出了铁基纳米晶合金介观阻抗率的物理概念,用Maxwell方程组求得其计算公式ρ=-μ{A}/{t}/Δ×H,该式表明铁基纳米晶合金的介观阻抗率与材料内部的介观磁场强度H、介观磁矢势A和介观磁导率μ有关,磁矢势A是由介观结构引起的量子力学效应,是由合金的微观结构决定的.这个理论很好地解释了铁基纳米晶粉末、粉芯 关键词： Fe基纳米晶合金 介观阻抗率     

初始压入位置对Ni基单晶合金纳米压痕影响研究

针对Ni基单晶合金建立初始压入γ 相的γ /γ' 模型和初始压入γ'相的γ'/γ 模型, 采用分子动力学方法模拟金刚石压头压入两种模型的纳米压痕过程, 计算两种模型[001]晶向硬度. 采用中心对称参数分析两种模型(001)相界面错配位错对纳米压痕过程的影响. 结果显示: 弛豫后, 两种模型(001)相界面错配位错形式不同, 其中γ'/γ 模型(001)相界面错配位错以面角位错形式存在; 压入深度在0.930 nm 之前, 两种模型(001)相界面错配位错变化不大, 压入载荷-压入深度及硬度-压入深度曲线较符合; 压入深度在0.930 nm之后, γ'/γ 模型(001)相界面错配位错长大很多, 导致相同压入深度时γ'/γ 模型比γ /γ'模型压入载荷和硬度计算结果小; 压入深度在2.055 nm之后, γ /γ'模型(001)相界面错配位错对γ 相中位错进入γ'相有阻碍作用, 但仍有部分位错越过(001) 相界面进入γ' 相中, γ'/γ 模型(001)相界面处面角位错对γ' 相中位错进入γ 相有更明显的阻碍作用, 几乎无位错越过(001) 相界面进入γ 相中, 面角位错的强化作用更明显, 所以γ'/γ 模型比γ /γ'模型压入载荷上升速度快.     

亚微米聚苯乙烯微球在气-液界面组装的机理研究

系统地研究了亚微米聚苯乙烯微球在气-液界面的组装机理.聚苯乙烯微球在介质对流的带动下会到达悬浮液的表面并在气-液界面组装，气-液界面处聚苯乙烯微球间由弯液面产生的毛细管力是组装的推动力.界面处聚苯乙烯微球在干燥过程中其润湿性发生了转变，由完全润湿到部分润湿并最终变成不润湿，相应的聚苯乙烯微球与分散介质间接触角也逐渐增大.研究表明，只有接触角达到或超过某数值θ′_critical时，才能够出现气-液界面组装现象.考虑到PS胶粒晶体的表面是“规则”粗糙的表面，由Wenzel公式知θ′_critical大于测量值θ＝22°.聚苯乙烯微球润湿性的转变是界面组装发生和持续进行的关键性因素. 关键词： 自组装 胶粒晶体 聚苯乙烯微球 润湿性     

亚微米聚苯乙烯微球在气-液界面组装的机理研究

系统地研究了亚微米聚苯乙烯微球在气-液界面的组装机理.聚苯乙烯微球在介质对流的带动下会到达悬浮液的表面并在气-液界面组装，气-液界面处聚苯乙烯微球间由弯液面产生的毛细管力是组装的推动力.界面处聚苯乙烯微球在干燥过程中其润湿性发生了转变，由完全润湿到部分润湿并最终变成不润湿，相应的聚苯乙烯微球与分散介质间接触角也逐渐增大.研究表明，只有接触角达到或超过某数值θ′_critical时，才能够出现气-液界面组装现象.考虑到PS胶粒晶体的表面是“规则”粗糙的表面，由Wenzel公式知θ′_critical大于测量值θ＝22°.聚苯乙烯微球润湿性的转变是界面组装发生和持续进行的关键性因素. 关键词： 自组装 胶粒晶体 聚苯乙烯微球 润湿性     

纳米AT13陶瓷喷涂层结合强度的分形维数表征

应用分形维数对微弧等离子喷涂纳米AT13涂层的界面进行研究,结果表明：随喷涂电流的增加,纳米AT13涂层的界面分维不断增大,其结合强度也不断提高;随着氩气压力的增加,纳米AT13涂层的界面分维和结合强度都先增大后减小;界面分维D可用于表征涂层结合强度σ,σ随D的增大而增大,且ln(σ)与D之间呈近似线性关系：ln(σ)=17.6D-26.2. 关键词： 纳米涂层 分形数维 界面 结合强度     

基于太极形介质柱六角光子晶体禁带特性研究

提出了一种新型的非对称性散射体的二维六角晶格光子晶体结构–-太极形介质柱光子晶体. 利用平面波展开法从理论研究这种光子晶体结构的能带特性以及结构参数对完全禁带的影响. 研究表明:散射体对称性的打破, TE模和TM模能带宽度和数目都会有所增加, 有益于获得更宽的完全禁带以及更多条完全禁带.通过参数优化, 发现在ε = 17, R=0.38 μm, r=0.36R, θ = 0° 时, 获得最大完全带隙宽度0.0541(ωa/2πc); 在ε = 16, R=0.44, r=0.2R, θ = 0°时, 光子晶体完全带隙数目最多达到8条. 关键词： 光子晶体 禁带 平面波展开     

一维扩展离子Hubbard模型的相图研究

应用密度矩阵重整化群方法, 研究了存在交错离子势Δ时一维半满扩展Hubbard模型的相图. 通过计算关联函数、结构因子、位置算符等方法, 描绘了从Mott绝缘体-键有序绝缘体-Band 绝缘体的特性并给出了精确的相边界. 研究发现: 中间的键有序绝缘体相在相图中占据了很小的一部分区域, 当存在离子势Δ的情况下, 这个区域将会有所增大; 而当相互作用足够强时, 这个中间相消失. 给出了离子Hubbard模型(最近邻电子-电子相互作用V=0)的相图.     

冲击加载下孔洞贯通的微观机理研究

利用分子动力学方法计算模拟了沿〈100〉晶向冲击加载下单晶铜中双孔洞的贯通过程.发现孔洞周围发射剪切型位错环是孔洞塌缩和增长的原因.在拉伸阶段,孔洞首先分别独立增长,随后其周围塑性变形区开始交叠和相互作用,最后两个孔洞开始直接贯通.这种贯通模式和实验对延性材料中孔洞贯通过程的显微观察结果一致.对四种不同θ值（θ为两个孔洞中心连线与冲击加载方向之间的夹角）的模型分别进行了计算模拟,发现在相同的冲击加载强度下,θ＝0°和θ＝30°的孔洞之间没有相互贯通; 关键词： 纳米孔洞 分子动力学 冲击加载 贯通     

电网在三种边攻击方式下的级联失效

研究美国西部电网在三种边攻击方式下级联失效差异性.定义边ij的初始负载为(k_ik_j)^θ,k_i,k_j分别表示节点i和j的度,θ为一可调参数.三种边攻击方式分别为:最小负载边攻击方式(LL)、最大负载边攻击方式(HL)和容量比最小边攻击方式(SPC).通过分析电网的拓扑结构,研究三种攻击方式级联失效差异性.研究表明:HL和LL攻击方式下,受攻击边的范围不随θ而改变,HL的攻击效果随θ的增大而增强,LL的攻击效果随θ的增大而减弱.而SPC法选中的被攻击边随θ变化,当θ取值较小时,SPC攻击边是拓扑结构较特殊的一种最小负载边,随着θ的增大,SPC攻击边趋向于高负载边,因此θ较小时,SPC的攻击效果和LL接近,当θ较大时,SPC的攻击效果和HL接近.     

La0.1Bi0.9-xEuxFeO3化合物的结构与性能研究

利用固相反应烧结技术制备La_0.1Bi_0.9-xEu_xFeO₃系列化合物. 利用X射线粉末衍射进行物相鉴定和结构分析,确定了材料的相关系：x≤0.05,材料为R3c结构相;0.08≤x≤0.12,材料为赝R3c结构相;x≥0.15是Pbnm相,其中0.15≤x≤0.20区域Pbnm相存在畸变. 磁测量结果表明,材料具有弱铁磁性,对于x≤0.20材料,磁矩在x=0.12成分存在极值. 利用阻抗分析仪测量了室温介电常数随成分的变化关系.讨论了材料的结构与弱铁磁性和室温介电常数间的关系. 关键词： 0.1Bi_0.9-xEu_xFeO₃')" href="#">La_0.1Bi_0.9-xEu_xFeO₃ X射线衍射 磁性 介电常数     

CHx掺杂SiCOH 低介电常数薄膜的物性热稳定性分析

研究了真空热处理对掺CH₄的SiCOH低介电常数薄膜的电流-电压(I-V)特性、电容-电压(C-V)特性、疏水性能以及微结构的影响. 结果表明：在热处理过程中,热稳定性较差的碳氢基团发生了热解吸,使薄膜的漏电流减小、绝缘性能改善,并使薄膜的导电行为更趋于空间电荷限流过程. 碳氢基团的热解吸使SiCOH/Si界面的界面态发生改变,导致SiCOH薄膜MIS结构的平带电压V_FB发生漂移. 封端的碳氢 关键词： SiCOH薄膜 热处理 结构与性能     

A study of electronic states near the interface in ferroelectric-semiconductor heterojunction prepared by rf sputtering of PbTiO3

Interface states in the ferroelectric-semiconductor junction have been investigated from analyses of DLTS andC-V data. Two trap levels are located at 0.21 and 0.36 eV below the conduction band near the silicon side of the interface in the MFS (Metal-Ferroelectric-Semiconductor) structure. The interface states density has been drastically reduced by putting an oxide layer between ferroelectric and semiconductor with certain heat treatment in H₂ atmosphere at 500 °C. It has been found that the MFMOS (Metal-Ferroelectric-Metal-Oxide-Semiconductor) structure shows the least interface states density (less than 10¹¹cm^–2eV^–1) with the maximal dielectric constant of PbTiO₃ thin films.     

Dependences of the dielectric and pyroelectric properties of (1 ? x)PbFe1/2Nb1/2O3?xPbTiO3 ferroelectric ceramics solid solutions on the PbTiO3 content in a compositional range of 0 ≤ x ≤ 0.08

(1 − x)PbFe_1/2Nb_1/2O_3−x PbTiO₃ (PFN-xPT) ferroelectric ceramics with low dielectric loss and pronounced anomalies of dielectric and pyroelectric properties near the ferroelectric-ferroelectric phase transition was obtained by doping with lithium. The temperature dependence of the position of the morphotropic boundary between the rhombohedral (monoclinic) and tetragonal phases in the x-T phase diagram of the PFN-xPT system was determined for the first time.     

Investigation on (EC/DMC)(70−x)wt% to LiBETI(x)wt% impact on PVdF-co-HFP/octadecylamine-MMT(montmorillonite) nano clay composite electrolytes

The composition dependence of plasticizer (ethylenecarbonate(EC)/dimethyl carbonate(DMC))_(70?x)wt% to Lithium bis(perfluoroethanesulfonyl)imide(LIBETI)_(x)wt% salt (where x?=?1.5, 3.0, 4.5, 6.0 wt%) on PVdF-co-HFP (25 wt%)/surface modified octadecylamine containing montmorrillonite (ODA-MMT) nano clay (5 wt%) matrix has been investigated by AC impedance, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and dielectric and cyclic voltammetry studies. The enhanced conductivity 2.1?×?10^?5 Scm^?1 is noted in salt rich phase (EC/DMC)_(70–6)wt% /LiBETI_(x=6)wt% (VK4). In XRD, 2θ at 20.9° confirms β-phase. In FTIR studies, vibrational bands 838, 522 and 611 cm^?1 confirm β-phase of PVdF due to clay intercalation. In DSC studies, the melting of α-phase crystallites is noted between 140–150 °C. In SEM studies, one of the membranes presents fern leaf texture confirming swelling of clay. The increase in dielectric constant and dielectric loss with decrease in frequency is attributed to high contribution of charge accumulation at the electrode–electrolyte interface. In cyclic voltammetry studies, salt-rich phase membrane (VK4) shows good cyclability than other membranes.     

两种不同(Ba,Sr)TiO3薄膜介电-温度特性的研究

研究并比较了两种不同(Ba_0.5,Sr_0.5)TiO₃(BSTO)薄膜介电-温度特性.采用脉冲激光沉积技术在Pt/Ti/SiO₂/Si(100)衬底上制备BSTO薄膜，发现制备条件的不同，可以得到介电性质完全不同的BSTO薄膜.在550℃和氮气氛下制备的BSTO薄膜在常温下具有很高的介电常数，在10kHz下，超过2500，并在200K温度以上介电常数基本不变.它的一些电学性质不同于在正常条件(650℃和氧气氛下)制得的BSTO薄膜，而类似于目前广泛报道的巨介电常数材料如CaCu_３Ti_４O₁₂.两种薄膜介电性质测试结果表明: 氧气氛下制备的BSTO薄膜呈现铁电-顺电相变，符合居里-外斯定律；低温氮气氛下制备的BSTO薄膜，介电弛豫时间和温度的关系符合德拜模型，是热激发弛豫.文中给出了产生这种介电特性的初步解释. 关键词： 薄膜 脉冲激光沉积 介电弛豫     

Structural and dielectric properties of Pb(Li1/4Dy1/4W1/2)O3

The polycrystalline samples of Pb(Li_1/4Dy_1/4W_1/2)O₃ have been synthesized by high-temperature solid-state reaction techniques. Room temperature X-ray diffraction (XRD) studies of the compound provided preliminary structural data, and hence formation of a single phase desired material was confirmed. Detailed studies of dielectric constant (ε) and loss (tanδ) as a function of frequency (100 Hz to 10 kHz) at room temperature (298 K) and also as a function of temperature (liquid nitrogen to 403 K) at 10 kHz suggest that the compound undergoes a ferroelectric phase transition of diffuse type.     

Surface charge estimation on hemispherical dielectric samples from EFM force gradient measurements

A numerical model capable of estimating the surface charge density(σ_S) and the dielectric constant(k_e) of a hemispherical sample from force gradient measurements is proposed. Force gradients are commonly detected by a biased conductive tip during electrostatic force microscopy(EFM) probing but provide limited quantitative assessment of the charge in the sample. The proposed model gives an analytical solution for the force exerted over a biased conical tip. Theoretical numerical results, presented in the form of multitraces of minimum force gradients for fixed bias voltages and tip-sample distances allow the translation of EFM force gradient measurements into functions of σ_S and k_e.     

Temperature-dependent ac conductivity and dielectric response of vanadium doped CaCu3Ti4O12 ceramic

Successful incorporation of vanadium dopant within the giant dielectric material CaCu₃Ti₄O₁₂ (CCTO) through a  conventional solid-state sintering process is achieved and its influence on the dielectric as well as electrical properties as a function of temperature and frequency is reported here. Proper crystalline phase formation together with dopant induced lattice constant shrinkage was confirmed through X-ray diffraction. The temperature dependence of the dielectric constant at different constant frequencies was investigated. We infer that the correlated barrier hopping (CBH) model is dominant in the conduction mechanism of the ceramic as per the temperature-dependent ac conductivity measurements. The electronic parameters such as density of the states at the Fermi level, N(E _f) and hopping distance, R _ω of the ceramic were also calculated using this model.     

Molecular dynamics calculation of the dielectric constant without periodic boundary conditions. I

We outline the difficulties in obtaining a reliable value of the dielectric constant of a fluid using molecular dynamics calculations with periodic boundary conditions, and give some explanation of the observed asymptotic behaviour of h_D (r) and hΔ(r) in Monte Carlo simulations of dipolar hard spheres. An alternative method consisting in simulating a dielectric in vacuum is described. This is applied to two dimensional systems. The pertinent theoretical relations for a dielectric disc in vacuum are therefore derived. It is concluded that relations involving MC or MD computation of <m ²> must be carefully handled.     

Giant permittivity of three phase polymer nanocomposites obtained by modifying hybrid nanofillers with polyvinylpyrrolidone

In this work, the combination of graphene decorated with graphene quantum dots (G-D-GQDs) and barium titanate (BaTiO₃) nanoparticles filled poly (vinyledene fluoride) (PVDF) nanocomposites are prepared using solvent casting method. The modification of G-D-GQDs and BaTiO₃ nanoparticles with polyvinyl pyrrolidone (PVP) show finer dispersion in PVDF matrix as compared to unmodified G-D-GQDs and BaTiO₃ nanoparticles in PVDF matrix. XRD of PVDF nanocomposites shows the formation of α and β form of PVDF crystals. The incorporation of the combination of PVP modified BaTiO₃ nanoparticles and G-D-GQDs in PVDF matrix show a decrease in crystallization temperature (T_c), percent crystallinity (X_c) and increase in thermal stability as compared to unmodified PVDF/BaTiO₃/G-D-GQDs nanocomposites, due to interaction of PVP modified nanoparticles with PVDF. Further, the incorporation of the combination of 20 wt.% BaTiO₃ nanoparticles and 3 wt.% G-D-GQDs in PVDF matrix show a giant dielectric constant. The giant dielectric constant is achieved due to accumulation of more charges across conductor-insulator interface, more numbers of microcapacitor formed and enhanced interfacial compatibility between BaTiO₃/G-D-GQDs with PVDF through PVP. The loss tangent (tan δ) of PVP modified G-D-GQDs and BaTiO₃ nanoparticles and its PVDF nanocomposites is low due to lower leakage current, which make the material suitable for various applications.