Chemical bond characteristics and infrared reflectivity spectrum of a novel microwave dielectric ceramic CaIn2O4 with near-zero τf

Orthorhombic-structured CaIn₂O₄ ceramics with a space group Pca2₁ were synthesized via a solid-state reaction method. A high relative density (95.6 %) and excellent microwave dielectric properties (ε_r ～11.28, Qf = 74,200 GHz, τ_f ～ ?4.6 ppm/°C) were obtained when the ceramics were sintered at 1375 °C for 6 h. The dielectric properties were investigated on the basis of the Phillips–Van Vechten–Levine chemical bond theory. Results indicated that the dielectric properties were mainly determined by the Inbond">O bonds in the CaIn₂O₄ ceramics. These bonds contributed more (74.65 %) to the dielectric constant than the Cabond">O bonds (25.35 %). Furthermore, the intrinsic dielectric properties of the CaIn₂O₄ ceramics were investigated via infrared reflectivity spectroscopy. The extrapolated microwave dielectric properties were ε_r ～10.12 and Qf = 112,200 GHz. Results indicated that ion polarization is the main contributor to the dielectric constant in microwave frequency ranges.     

Atomistic insight into the lubrication of glycerol aqueous solution: The role of the solid interface-induced microstructure of fluid molecules

Molecular dynamics simulations are performed to investigate the solid surface-induced microstructure and friction coefficient of glycerol aqueous solutions with different water contents confined in graphene and FeO nanoslits. Results show that the friction coefficient of glycerol aqueous solutions confined in both nanoslits presents similar nonlinear variation tendencies with increasing water content, but their lowest value and the corresponding water contents differ. Distinctive microstructures of the near-surface liquid layer induced by surfaces with different hydrophilicity are responsible for their difference in lubrication. The sliding primarily occurs at the solid–liquid interface for the hydrophobic graphene nanoslit owing to almost the same velocity difference in fluid molecules. By contrast, the sliding mainly occurs at the liquid–liquid interface for the hydrophilic FeO nanoslit because of the large velocity difference in fluid molecules. The weaker the interaction force at the sliding position, the lower the friction coefficient.     

Mechanistic study of the effect of Ca–Sn co-doping on the microwave dielectric properties and magnetic properties of YIG

To investigate the crystal structure, electrical properties, and magnetic properties of Ca–Sn co-doped Y_3-xCa_xFe_5-xSn_xO₁₂ (x = 0.00–0.25 in steps of 0.05), solid-state reaction experiments, first principles calculations, and complex crystal bonding theoretical calculations were performed. The relative permittivity (ε_r) is strongly correlated with the average bond ionicity when Ca²⁺ is added. Furthermore, appropriate Sn⁴⁺ substitution significantly lowers the dielectric loss (tanδ_ε) associated with the lattice energy. The right amount of Ca–Sn co-doping can change the saturation magnetization (4πM_S) and improve the microscopic morphology of YIG, lowering the ferromagnetic resonance linewidth (ΔH) of YIG. The optimized microwave dielectric and magnetic properties are as follows: ε_r = 14.7, tanδ_ε = 4.15 × 10^?4, 4πM_S = 1680 G, and ΔH = 53 Oe for Y_2.8Ca_0.2Fe_4.8Sn_0.2O₁₂ sintered for 6 h at 1425 °C. Based on this material, a simple 3D model of a strip-line circulator with an insertion loss of less than 0.3 dB at each port and isolation greater than 20 dB in the 10–12 GHz range was developed, indicating the potential of the material for microwave high-frequency components such as circulators.     

纳米碳化钒/碳化铬复合粉末的微波辅助高能球磨合成及其应用

以微米级氧化钒(V2O5)、氧化铬(Cr2O3)和纳米碳黑为原料，采用机械合金化及微波辅助加热法制备了纳米碳化钒/碳化铬复合粉末。利用XRD、XPS、TG-DSC、SEM、TEM和BET对产物进行了分析表征。结果表明，：纳米碳化钒/碳化铬复合粉末的最佳合成条件为：碳的质量分数为35%，反应温度为900℃，保温时间为1h。在该条件下的反应产物主要由V3Cr2C5、Cr2VC2和Cr3C2组成，颗粒为球形或类球形，分散性较好，无明显团聚现象，平均颗粒尺寸约为50nm，复合粉末的比表面积为115.53m2/g。添加纳米碳化钒/碳化铬复合粉末可以提高陶瓷结合剂cBN磨具的力学性能和磨削效率，降低磨具的损耗，并且对磨具具有减摩作用。     

Effect of Mn2+ doping on the lattice and the microwave dielectric properties of MgTa2O6 ceramics

A series of Mn²⁺-doped Mg_1-xMn_xTa₂O₆ (x = 0.02, 0.04, 0.06, 0.08, 0.10, 0.12) ceramics were synthesized by solid-state reaction method. The influence of introducing Mn–O bonds as a partial replacement for Mg–O bonds on the lattice and microwave dielectric properties was systematically investigated. XRD and Rietveld refinement confirm that Mn²⁺ occupies the 2a Wyckoff position and forms a pure trirutile phase. Moreover, based on the chemical bond theory, the dielectric constant is mainly affected by the ionicity of the Ta–O bond. The lattice and dielectric properties remain relatively stable with Mn²⁺ doping below 0.1, but excessive Mn²⁺ doping leads to pronounced distortion of the lattice, which is not beneficial for lattice stability and microwave dielectric properties. Introducing an appropriate amount of Mn–O bonds with high bond dissociation energy facilitates MgO6 octahedron stability, which improves the thermal stability of the lattice. Accordingly, the microwave dielectric properties for 0.06 Mn²⁺-doped MgTa₂O₆ ceramics were determined: ε_r = 28, Q × f = 105,000 GHz (at 7.5 GHz), τ_f = 19.5 ppm/^°C.     

Effects of W6+ substitution on crystal structure and microwave dielectric properties of Li3Mg2NbO6 ceramics

Li₃Mg₂(Nb_1-xW_x)O_6+x/2 (0 ≤ x ≤ 0.08) ceramics were synthesized by the solid-state reaction route. The effects of W⁶⁺ substitution on the phase composition, microstructure and microwave dielectric properties of Li₃Mg₂NbO₆ ceramics were investigated systematically. The XRD results showed that all the samples formed a pure solid solution in the whole doping range. The SEM iamges and relative density revealed the dense structure of Li₃Mg₂(Nb_1-xW_x)O_6+x/2 ceramics. The relationship between the crystal structure and dielectric properties of Li₃Mg₂(Nb_1-xW_x)O_6+x/2 ceramics was researched through polarizability, average bond valence, and bond energy. The substitution of W⁶⁺ for Nb⁵⁺ in Li₃Mg₂(Nb_1-xW_x)O_6+x/2 ceramics significantly promoted the Q × f values. In addition, the increase of W⁶⁺ content improved the thermal stability of the Li₃Mg₂(Nb_1-xW_x)O_6+x/2 ceramics. The Li₃Mg₂(Nb_0.94W_0.06)O_6.03 ceramics sintered at 1175 °C for 6h possessed excellent properties: ε_r ~ 15.82, Q × f ~ 124,187 GHz, τ_f ~ −18.28 ppm/°C.     

Predictive association of metal–organic systems in the solid-state: the molecular electrostatic potential based approach

Designing crystalline solids with improved properties or performances remains a challenging task, despite great strides that have been made within the field of crystal engineering since its birth several decades ago. Herein, we are bringing examples that illustrate recent successes in taking supramolecular synthetic guidelines from the organic crystal engineering and adjusting those to metal-containing systems, particularly to the lower-dimensional ones. The versatility of calculated molecular electrostatic potential (MEP) as a new crystal engineering tool is demonstrated.     

离子液体的溶液热力学模型研究进展

离子液体是近年来发展起来的一种绿色介质，在化工反应和分离过程中具有广泛的应用前景。离子液体的溶液热力学性质和相平衡数据是其相关工艺过程设计的基础。本文从如下几个方面综述了离子液体溶液热力学模型的研究进展，即溶液热力学研究方法、溶液热力学模型的构建、离子液体的结构和分子间作用力、离子液体的溶液热力学模型及其在相平衡计算中的应用。重点分析了适用于离子液体溶液热力学性质计算的状态方程模型和过量Gibbs自由能模型或活度系数模型，离子液体的电解质和非电解质溶液模型，以及这些模型对ILs结构、氢键和静电作用的处理方法。分析了这些模型的优缺点，并对今后离子液体的溶液热力学研究提出了建议。     

高强不锈钢绞线网与ECC黏结-滑移关系模型

高强不锈钢绞线网与ECC的黏结是二者协同工作的基础，且黏结 滑移关系模型是其黏结性能的综合反映，故通过对17组51个高强不锈钢绞网增强ECC薄板试件进行单边拉拔试验，研究横向钢绞线间距、纵向钢绞线直径和相对锚固长度等因素对钢绞线网在ECC中黏结性能的影响规律。试验结果表明，横向钢绞线的设置可使黏结破坏由脆性破坏转变为延性破坏；高强不锈钢绞线网与ECC的黏结滑移曲线可分为5个阶段，分别为上升段、微降段、延性强化段、下降段和残余段。基于试验结果，对钢绞线网在ECC中的黏结破坏特征和黏结 滑移机理进行分析，在相关黏结-滑移关系模型的基础上，提出钢绞线网与ECC的黏结 滑移关系模型，并进行模型参数分析。所提模型及模型参数计算公式与试验结果吻合良好，能较好地反映钢绞线网与ECC的界面黏结滑移特征。