LCD-SLA 3D printing of BaTiO3 piezoelectric ceramics

Stereolithography-based 3D printing is a promising method to produce complex shapes from piezoceramic materials. In this study, LCD-SLA 3D printing was used to create lead-free piezoceramics based on barium titanate (BaTiO₃, BT). Three types of BT powders (micron, submicron and nanoscale) were tested in LCD-SLA 3D printing, and a technique for the preparation of a ceramic slurry suitable for LCD-SLA printing has been developed. Using TGA-DSC analysis, the thermal debinding parameters to obtain crack-free samples were determined, followed by further sintering and the study of the piezoelectric properties (ε_r = 1965, d₃₃ = 200 pC/N, tan = 1,7 %). The results of the study demonstrate high potential for the production of complex piezoceramic elements that can be used in aviation, in particular, aviation radio equipment; in the marine industry for transceiver modules of hydroacoustic antennas; and in the nuclear industry for pressure control sensors in the steam–water path.     

Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach

Metallohydrolases form a large group of enzymes that have fundamental importance in a broad range of biological functions. Among them, the purple acid phosphatases (PAPs) have gained attention due to their crucial role in the acquisition and use of phosphate by plants and also as a promising target for novel treatments of bone-related disorders and cancer. To date, no crystal structure of a mammalian PAP with drug-like molecules bound near the active site is available. Herein, we used a fragment-based design approach using structures of a mammalian PAP in complex with the Maybridge^TM fragment CC063346, the amino acid L-glutamine and the buffer molecule HEPES, as well as various solvent molecules to guide the design of highly potent and efficient mammalian PAP inhibitors. These inhibitors have improved aqueous solubility when compared to the clinically most promising PAP inhibitors available to date. Furthermore, drug-like fragments bound in newly discovered binding sites mapped out additional scaffolds for further inhibitor discovery, as well as scaffolds for the design of inhibitors with novel modes of action.     

温度对核电站传热管阵列声透射特性的影响

为了研究温度分布对于管阵列结构中的声透射特性的影响，以核电站的实际工况为背景，构建了不同的温度场以及周期性变化的非均匀温度场，利用有限元方法进行数值模拟。结果表明：（1）温度分布会改变管阵列声透射频谱的“禁带”宽度以及中心频率位置。在同一介质中，温度变化对频率较高位置的影响大于频率较低的位置。（2）在同样为10℃的温度差下，当水的平均声速为1 653 m·s^-1、饱和水蒸气的平均声速为522.5 m·s^-1时，介质为水时的禁带宽度及中心频率位置变化较大，即声速大的介质的频谱对于温度的变化更敏感。（3）当温度差在10℃以内，在周期性变化的非均匀温度场和与均匀温度场中管阵列声透射特性在第一中心频率23 996.1 Hz之前，两频谱差别很小，在第一禁带之后会出现明显区别。该研究成果对完善核电站应用的声学检测提供了理论基础。     

Noncentrosymmetric Tetrel Pnictides RuSi4P4 and IrSi3P3: Nonlinear Optical Materials with Outstanding Laser Damage Threshold

Noncentrosymmetric (NCS) tetrel pnictides have recently generated interest as nonlinear optical (NLO) materials due to their second harmonic generation (SHG) activity and large laser damage threshold (LDT). Herein nonmetal-rich silicon phosphides RuSi₄P₄ and IrSi₃P₃ are synthesized and characterized. Their crystal structures are reinvestigated using single crystal X-ray diffraction and ²⁹Si and ³¹P magic angle spinning NMR. In agreement with previous report RuSi₄P₄ crystallizes in NCS space group P1, while IrSi₃P₃ is found to crystallize in NCS space group Cm, in contrast with the previously reported space group C2. A combination of DFT calculations and diffuse reflectance measurements reveals RuSi₄P₄ and IrSi₃P₃ to be wide bandgap (E_g) semiconductors, E_g = 1.9 and 1.8 eV, respectively. RuSi₄P₄ and IrSi₃P₃ outperform the current state-of-the-art infrared SHG material, AgGaS₂, both in SHG activity and laser inducer damage threshold. Due to the combination of high thermal stabilities (up to 1373 K), wide bandgaps (≈2 eV), NCS crystal structures, strong SHG responses, and large LDT values, RuSi₄P₄ and IrSi₃P₃ are promising candidates for longer wavelength NLO materials.     

Influence of α′‐/α‐crystal polymorphism on properties of poly(l‐lactic acid)

Poly(l ‐lactic acid) (PLLA) is a biodegradable and biocompatible thermoplastic polyester produced from renewable sources, widely used for biomedical devices, in food packaging and in agriculture. It is a semicrystalline polymer, and as such its properties are strongly affected by the developed semicrystalline morphology. As a function of the crystallization temperature, PLLA can form different crystal modifications, namely α′‐crystals below about 120 °C and α‐crystals at higher temperatures. The α′ modification is therefore of special importance as it may be the preferred polymorph developing at processing‐relevant conditions. It is a metastable modification which typically transforms into the more stable α‐crystals on annealing at elevated temperature. The structure, kinetics of formation and thermodynamics of α′‐ and α‐crystals of PLLA are reviewed in this contribution, together with the effect of α′‐/α‐crystal polymorphism on the properties of PLLA. © 2018 Society of Chemical Industry     

Direct and controlled device integration of graphene oxide on Quartz Crystal Microbalance via electrospray deposition for stable humidity sensing

Integration of advanced and functional materials onto conventional sensing platforms can improve the device performances and even discover new applications. For piezoelectric resonant sensors, an addition of sensing materials can induce damping and hinder a stable device operation. Hence, the development of efficient method for materials integration is important to ensure high-performance and reliable sensor operation. This work presents a direct and precisely controlled integration of graphene oxide (GO) using the electrospray deposition (ESD) onto a 10 MHz Quartz Crystal Microbalance (QCM) for humidity sensing. The proposed ESD method achieves a high mass resolution of a few nanograms. Moreover, the GO uniformly coats across the sensing electrode region as it acts as a ground electrode during ESD. The proposed ESD method also works for a wide range of nanomaterials, such as carbon nanotubes, tin oxide, and silicon carbide micro-and nano-powders. Compared to the conventional drop-casting and dip coating approaches, our method ensures minimal GO agglomeration, resulting in a stable QCM-oscillator operation in a wide range of relative humidity from 11% to 97%. The measurement sensitivity increases with an amount of GO, but less GO results in better noise and detection limit performances. The results shed light on the importance of selecting an optimal amount of sensing materials for stable sensor operations.     

月桂酰肌氨酸钠搭建阿尔法凝胶的方法研究及结构表征

阿尔法凝胶作为一种特殊的液晶结构，能够在清洁或调理皮肤的过程中给皮肤毛发提供更好的湿润感和调理性。由于阿尔法凝胶结构的搭建传统方法需要不少于14个碳原子的烷基表面活性剂，其实际应用一直受到限制。提供了一种由月桂酰肌氨酸钠作为烷基碳链为12个碳原子的氨基酸型表面活性剂搭建阿尔法凝胶的方法，并对其产物进行结构表征和分析。     

Features of crystal structures and thermo-mechanical properties of weberites RE3NbO7 (RE=La,Nd, Sm,Eu, Gd) ceramics

The features of crystal structures, thermo-mechanical properties and their dominant mechanisms of weberites RE₃NbO₇ were studied as high-temperature oxides. We concentrated on connections between structures and thermo-mechanical properties, the influences of bond lengths, lattice distortion degrees and microstructures on these properties were estimated. The shortening of bond length and increment of bonding strength would lead to the increase of mechanical properties. The Vickers hardness (4.5-7.8 GPa) and toughness (0.5-1.6 MPa·m^1/2) of weberites RE₃NbO₇ are enhanced by grain refinement and increment of bond strength, while crystal structures, bond lengths, and lattice distortion degrees influenced their Young's modulus (100-170 GPa). Nano-indentation was applied to test the influence of microstructures on modulus and hardness. The dominant mechanisms for mechanical properties and thermal conductivity were proposed, which was conducive to properties tailoring and engineering applications of weberites RE₃NbO₇ oxides.     

利用菊池衍射花样鉴定晶体结构的方法研究

电子背散射衍射(Electron Backscatter Diffraction, EBSD)是研究材料显微结构的重要手段之一, 通过EBSD获取的菊池衍射花样是材料内部微观晶体结构的直观反映。本研究通过识别菊池花样中的对称轴, 结合晶体对称定律, 提出了一种利用菊池花样进行晶体对称性分析和晶体结构鉴定的方法。通过该方法成功对三个未知样品的对称性和晶体结构进行了判断。其中一个样品确定到所属晶系, 另两个样品锁定到部分点群, 通过确定晶系和点群排除了部分不符合对称性的相鉴定结果。研究结果表明, 利用菊池花样进行对称性分析是判断晶体结构的有效方法。同现有方法相比, 菊池衍射花样法大大缩小了相鉴定的检索范围, 显著提高了相鉴定的准确性和可靠性, 是一种有望用于新一代EBSD设备的标定技术。     

Optical properties of gadolinia-doped cubic yttria stabilized zirconia single crystals

Cubic zirconia single crystals stabilized with yttria and doped with Gd₂O₃ (0.10–5.00 mol%) were prepared by the optical floating zone method, and characterized by a combination of X-ray diffraction (XRD), and Raman, electron paramagnetic resonance (EPR), ultraviolet–visible (UV–Vis), photoluminescence excitation (PLE) and photoluminescence (PL) spectroscopic techniques. XRD and Raman spectroscopy showed that the crystal samples were all in the cubic phase, whereas the ceramic sample consisted of a mixture of monoclinic and cubic phases. The absorption spectrum showed four peaks at 245, 273, 308, and 314 nm in the ultraviolet region, and the optical band gap differed between samples with ≤3.00 mol% and those with >3.00 mol% Gd₂O₃. The emission spectrum showed a weak peak at 308 nm and a strong peak at 314 nm, which are attributed to the ⁶P_5/2 → ⁸S_7/2 and ⁶P_7/2 → ⁸S_7/2 transitions of Gd³⁺, respectively. The intensities of the peaks in the excitation and emission spectra increased with Gd³⁺ concentration, reached a maximum at 2.00 mol%, then decreased with higher concentrations. This quenching is considered to be the result of the electric dipole-dipole interactions, and this interpretation is supported by the Gd³⁺ EPR spectra, which showed progressive broadening with increasing Gd³⁺ concentration throughout the concentration range investigated.