Structure and multiferroic properties of Y-doped BiFeO3 ceramics

Bismuth ferrite, BiFeO₃, is an important multiferroic material, which simultaneously exhibits ferroelectric ordering and antifer-romagnetic ordering in bulk form. Samples of Bi_1-xY_xFeO₃ (x=0, 0.05, 0.10, 0.15 and 0.20) were prepared by conventional solid state reaction. By X-ray diffraction and Raman scattering spectra, the crystal structures of the samples were identified as rhombo-hedral with R3c space group, in addition to a second phase at x≥0.05. Multiferroic properties of the samples were also measured. With the increasing of Y content, the relative dielectric constants of the samples increased gradually, while the loss tangents firstly decreased and then began to increase. Meanwhile, the saturation magnetization values were significantly enhanced, namely 0.1440, 0.7468, 1.9217, 3.3309 and 6.2774 emu/g at 300 K for x=0, 0.05, 0.10, 0.15 and 0.20, respectively.     

Nd掺杂BiFeO3多铁陶瓷的磁电性能

采用快速液相烧结工艺制备出Bi1-xNdxFeO3(BNFO-x,x=0.00～0.20)多铁陶瓷样品,研究了掺杂对BiFeO3微观结构和铁电、磁电及介电性能的影响.X射线衍射谱显示样品BiFeO3的相均已形成,且在掺杂量x=0.10附近出现结构相变.掺杂后样品的剩余磁化(2Mr)和剩余极化(2Pr)都有一定程度的提高,以铁电性能改善最为明显.当掺杂量x=0.10时,样品的耐压性能最好,可观察到完全饱和的电滞回线,且剩余极化达到最大值, 2Pr=0.494 C·m-2,比未掺杂时提高了117.6%. 随着Nd的掺杂,样品介电常数随温度变化的关系曲线在尼尔温度之前179℃附近多出一个介电峰,但是在BiFeO3样品中并未发现该介电峰.     

溶胶-凝胶法制备BiFeO3多铁性薄膜及其电磁性能研究

采用溶胶-凝胶法在SiO2/Si基底上制备纯相BiFeO3多铁性薄膜.利用X射线衍射仪对不同退火温度的薄膜样品进行晶体结构的测定和分析,结果表明：样品为钙钛矿结构,并呈随机取向.在室温下测量500℃退火样品的电滞回线及其不同频率下的介电常数和介电损耗;当外加电场达到14×107 V/m时,剩余极化强度（Pr）和饱和极化强度（Ps）分别为10.12μC/cm2和14.62μC/cm2;当频率范围在1kHz～1MHz时,样品的介电常数和介电损耗基本稳定,且损耗较小.此外,在室温下测量薄膜的磁性能,M-H曲线表明样品具有铁磁性.     

Effects of trace elements on grain boundaries in some superalloys

The effects of trace elements on grain boundaries were investigated by analyzing the feature and composition of the boundary precipitates. The effect of trace elements segregated towards boundaries and the mechanism of interaction were interpreted by an idea of atom misfit. The mechanisms with regard to spheroidizing and degenerating of the precipitates were expounded. For the superalloys studied, the atoms with larger misfit may hinder the atoms with smaller misfit from segregating towards the boundaries and may drive the latter into the lattice(or interstice) inside grains and the boundary precipitates. The reaction of the latter on the former was also studied.     

Atom-resolved imaging of ordered defect superstructures at individual grain boundaries

The ability to resolve spatially and identify chemically atoms in defects would greatly advance our understanding of the correlation between structure and property in materials. This is particularly important in polycrystalline materials, in which the grain boundaries have profound implications for the properties and applications of the final material. However, such atomic resolution is still extremely difficult to achieve, partly because grain boundaries are effective sinks for atomic defects and impurities, which may drive structural transformation of grain boundaries and consequently modify material properties. Regardless of the origin of these sinks, the interplay between defects and grain boundaries complicates our efforts to pinpoint the exact sites and chemistries of the entities present in the defective regions, thereby limiting our understanding of how specific defects mediate property changes. Here we show that the combination of advanced electron microscopy, spectroscopy and first-principles calculations can provide three-dimensional images of complex, multicomponent grain boundaries with both atomic resolution and chemical sensitivity. The high resolution of these techniques allows us to demonstrate that even for magnesium oxide, which has a simple rock-salt structure, grain boundaries can accommodate complex ordered defect superstructures that induce significant electron trapping in the bandgap of the oxide. These results offer insights into interactions between defects and grain boundaries in ceramics and demonstrate that atomic-scale analysis of complex multicomponent structures in materials is now becoming possible.     

三维模拟高温高静水压下矿物颗粒边界应力分布

为探讨矿物颗粒边界应力分布规律,采用有限元程序ANSYS三维模拟、计算高温(800℃)、高静水压(1.6GPa)下,立方体结构的镁橄榄石和透辉石矿物集合体在加压瞬间各向同性完全弹性变形时的应力场。通过改变矿物颗粒边界层组成物质的弹性模量与泊松比,进一步计算、分析边界层的等效应力和组分矿物的体积模量系数。研究结果表明:两矿物颗粒边界具有应力集中现象,边界层内部应力分布不均,颗粒边界层的等效应力等值线随着颗粒边界组成物质的弹性模量的微小改变而变化明显;2种不同矿物颗粒构成的过渡边界层的等效应力与其组分矿物的体积模量系数呈高斯函数关系;矿物颗粒边界层的等效应力与其组成物质的弹性模量之间具有高斯分布规律。     

Bi1-xLaxFeO3多铁体系的微波吸收性能

采用溶胶-凝胶法制备Bi1-xLaxFeO3(x=0,0.05,0.10,0.15)粉晶样品,用X线衍射仪表征样品的晶体结构,用扫描电镜观察样品的颗粒形貌与尺寸,用微波矢量网络分析仪测试样品在2～18 GHz微波频率范围内的复介电常数、复磁导率,并计算损耗角正切及微波反射率.研究结果表明:Bi1-xLaxFeO3晶体结构为钙钛矿型,颗粒形貌为直径约200nm、长度约700nm的不规则短棒状;La的A位掺杂有利于提高体系的微波吸收性能;当样品厚度为2.6 mm,x=0.10时,吸收峰值为27.7 dB,小于-10 dB吸收带宽为3.4 GHz,该材料的电磁损耗来自介电损耗和磁损耗,但介电损耗较大.     

体心立方金属对称倾斜晶界的改进分析型嵌入原子法模拟

采用改进分析型嵌入原子法(modified analytical embedded atom method,MAEAM),从原子尺度对体心立方(body-centered cubic,BCC)金属Li在以[001]为旋转轴的对称倾斜晶界(symmetrical tilt grain boundary,STGB)中的结构和能量进行了计算机模拟.结果表明,刚性结合的对称倾斜晶界面附近的原子距离非常近,从而导致能量异常高.所研究的27个晶界面两晶粒间的相对平移均可降低晶界能,最小晶界能出现在特定的平移距离处,且随重合密度倒数∑增加而振荡增加,随相对面间距d/a增加而减小,3个最低能量的晶界面依次对应于(310)、(530)和(510).由能量最小化原理知这些晶界面将依次择优出现.     

钛掺杂BiFeO3光催化剂的制备及其催化性能

用溶胶-凝胶法制备钛(Ti)掺杂BiFeO₃纳米颗粒(Ti-BiFeO₃), 研究不同煅烧温度对Ti掺杂BiFeO₃结构调控及光催化性能的影响, 用X射线衍射（XRD）、 扫描电子显微镜（SEM）、 能谱分析（EDS）、 紫外-可见（UV-Vis)光谱技术对颗粒的相结构、 形貌、 原子比例、 光催化性能等进行测试及分析, 并以罗丹明-B为目标降解物, 对Ti掺杂BiFeO3光催化性能进行研究. 结果表明: Ti掺杂BiFeO₃样品在不同煅烧温度均出现Bi₂Fe₄O₉相; 煅烧温度可对Bi₂Fe₄O₉的含量进行调控, 在650 ℃煅烧样品中含有适量的Bi₂Fe₄O₉相, 能有效提高Ti掺杂BiFeO₃的光催化活性, 且具有较高的降解活性, 60 min内降解效率达85%.     

BiFeO3纳米粉体的制备及其紫外光催化性能

采用共沉淀法制备了斜菱方钙钛矿结构的BiFeO₃纳米粉体,通过X射线衍射、透射电镜和紫外-可见光谱仪等测试手段表征了粉体的物相、形貌及其特征吸收光谱,同时考察了升温速率和煅烧温度对BiFeO₃物相的影响。结果表明：当煅烧温度为500℃,升温速率为10~15℃/min时可形成粒径为30~90nm的球形BiFeO₃纳米粉体;该粉体的吸收截止波长为600nm,对应的禁带宽度为2.05eV,具有较宽的光波长响应范围。光催化实验表明在紫外光照射下,加入0.3g的BiFeO₃纳米粉体后,只需3h即可使100mL质量浓度为4.8mg/L的罗丹明溶液的脱色率达到95%,证实其对紫外光具有良好的响应,可用于光催化降解有机污染物。     

回火温度对Q960钢小角度晶界的影响

设计了一种低合金高强度的Q960工程机械用钢.在同种成分、同种轧制和淬火工艺下,研究回火温度对Q960钢小角度晶界的影响机理.经分析得出,随着回火温度的升高,小角度晶界的频率逐渐降低且实验钢的抗拉强度和屈服强度也相应地降低,而屈强比逐渐升高.不同回火温度下小角度晶界频率的峰值均出现在取向差5°附近,即取向差较小.取向差小使得小角度晶界比较稳定,原子迁移率小.通过计算键级积分(BOI)得出,B元素对Q960钢的小角度晶界有加强作用.     

BiFeO_3薄膜的so-lgel制备及其铁电性能研究

采用sol-gel方法在Pt(111)/Ti/SiO2/Si(100)衬底上制备出了(100)择优取向的BiFeO3薄膜.XRD研究表明,600～650℃退火的薄膜结晶较好.AFM形貌显示,650℃退火的薄膜中等轴状晶粒大小均匀(直径100～150nm),薄膜较为致密.电学性能测量结果表明,650℃退火、厚度为840nm的薄膜的2Pr值为2.8mC/cm2;在50kV/cm外加电场下,漏电流为2.7×10-5 A/cm2.电流-电压特性显示,在欧姆区之上,薄膜的主要导电机制为波尔-弗兰克尔发射导电.     

BiFeO3陶瓷的光学性质的第一性原理研究

运用第一性原理中的密度泛函理论理论及平面波赝势法,对斜六方相的BiFeO3的电子结构、态密度及光学性质进行了计算.结果表明,在可见光范围内,当入射光波长处于390～410 nm波段时,吸收效果最好,这与实验上发现光电流最强的入射光波段相一致.此时对应的电子跃迁是从O 2p(向上)态的占据轨道向Fe 3d(向下)态的空轨道跃迁.     

Faulting induced by precipitation of water at grain boundaries in hot subducting oceanic crust

Dehydration embrittlement has been proposed to explain both intermediate- and deep-focus earthquakes in subduction zones. Because such earthquakes primarily occur at shallow depths or within the core of the subducting plate, dehydration at relatively low temperatures has been emphasized. However, recent careful relocation of subduction-zone earthquakes shows that at depths of 100-250 km, earthquakes continue in the uppermost part of the slab (probably the former oceanic crust that has been converted to eclogite) where temperatures are higher. Here we show that at such pressures and temperatures, eclogite lacking hydrous phases but with significant hydroxyl incorporated as defects in pyroxene and garnet develops a faulting instability associated with precipitation of water at grain boundaries and the production of very small amounts of melt. This new faulting mechanism satisfactorily explains high-temperature earthquakes in subducting oceanic crust and could potentially be involved in much deeper earthquakes in connection with similar precipitation of water in the mantle transition zone (400-700 km depth). Of potential importance for all proposed high-pressure earthquake mechanisms is the very small amount of fluid required to trigger this instability.     

无取向硅钢晶粒与晶界特征的EBSD分析

借助电子背散射衍射(EBSD)技术测量和计算了无取向硅钢再结晶退火后再结晶百分比、晶粒尺寸、取向差分布等参数,分析了再结晶退火温度对无取向硅钢晶粒大小、微观取向和耐蚀性的影响.结果表明,3个温度(810、840、880 ℃)下退火3 min后,再结晶均充分完成.随着退火温度的升高,再结晶晶粒尺寸长大.拥有{100}面织构的晶粒比其他取向晶粒具有更好的耐蚀性,侵蚀后晶粒凸出于试样表面.880 ℃退火后的小尺寸晶粒周围多为小角度晶界,不易迁移,不易被侵蚀.     

退火气氛对BiFeO3薄膜电性能的影响

采用溶胶-凝胶法在氟掺杂SnO2/glass(FTO/glass)衬底上制备BiFeO3 (BFO)薄膜,薄膜的退火气氛分别是空气、氧气、氮气,退火温度为500℃.XRD衍射图样表明BiFeO3薄膜结晶充分,没有杂相.剖面扫描电镜测试结果表明薄膜的厚度为600 nm.铁电性测试表明在空气中退火的BiFeO3薄膜能够观察...     

Enhanced supercurrent density in polycrystalline YBa2Cu3O(7-delta) at 77 K from calcium doping of grain boundaries

With the discovery of high-temperature superconductivity, it seemed that the vision of superconducting power cables operating at the boiling point of liquid nitrogen (77 K) was close to realization. But it was soon found that the critical current density Jc of the supercurrents that can pass through these polycrystalline materials without destroying superconductivity is remarkably small. In many materials, Jc is suppressed at grain boundaries, by phenomena such as interface charging and bending of the electronic band structure. Partial replacement ('doping') of the yttrium in YBa2Cu3O(7-delta) with calcium has been used to increase grain-boundary Jc values substantially, but only at temperatures much lower than 77 K (ref. 9). Here we show that preferentially overdoping the grain boundaries, relative to the grains themselves, yields values of Jc at 77 K that far exceed previously published values. Our results indicate that grain-boundary doping is a viable approach for producing a practical, cost-effective superconducting power cable operating at liquid-nitrogen temperatures.     

3-RRRT并联机器人奇异位形研究

对3-RRRT并联机器人的位置反解进行分析,根据螺旋理论对其进行瞬时运动分析,建立速度正反解方程,在此基础上获得了在奇异位形时的条件方程,并进行了数值仿真,为进一步的研究提供了理论基础.