Synthesis of Hollow Three-Dimensional Channels LiNi_(0.5)Mn_(1.5)O_4 Microsphere by PEO Soft Template Assisted with Solvothermal Method

A appropriate size with three-dimension(3 D) channels for lithium diffusion plays an important role in constructing highperforming LiNi_(0.5)Mn_(1.5)O_4(LNMO) cathode materials, as it can not only reduce the transport path of lithium ions and electrons, but also reduce the side effects and withstand the structural strain in the process of repetitive Li~+ intercalation/deintercalation. In this work, an e fficient method for designing the hollow LNMO microsphere with 3 D channels structure by using polyethylene oxide(PEO) as soft template agent assisted solvothermal method is proposed. Experimental results indicate that PEO can make the reagents mingle evenly and nucleate slowly in the solvothermal process, thus obtaining a homogeneous distribution of carbonate precursors. In the final LNMO products, the hollow 3 D channels structure obtained by the decomposition of PEO and carbonate precursor in the calcination can provide abundant electroactive zones and electron/ion transport paths during the charge/discharge process, which benefits to improve the cycling performance and rate capability. The LNMO prepared by adding 1 g PEO possesses the most outstanding electrochemical performance, which presented an excellent discharge capacity of 143.1 mAh g~(-1) at 0.1 C and with a capacity retention of 92.2% after 100 cycles at 1 C. The superior performance attributed to the 3 D channels structure of hollow microspheres, which provide uninterrupted conductive systems and therefore achieve the stable transfer for electron/ion.     

Intrinsic Defect Limit to the Growth of Orthorhombic HfO2 and (Hf,Zr)O2 with Strong Ferroelectricity: First-Principles Insights

It is believed that promoting the fraction of ferroelectric orthorhombic phase (o-phase) through O-poor growth conditions can increase the spontaneous polarization of HfO₂ and (Hf,Zr)O₂ thin films. However, the first-principles calculations show that the growth may be limited by the easy formation of point defects in the orthorhombic and tetragonal phases of HfO₂, ZrO₂, and (Hf,Zr)O₂. Their dominant defects, O interstitial (O_i) under O-rich conditions and O vacancy (V_O) under O-poor condition, have low formation energies and quite high density (10¹⁶–10¹⁹ cm⁻³ for 800–1400 K growth temperature). Especially, O_i has negative formation energy in tetragonal HfO₂ under O-rich condition, causing non-stoichiometry and limiting the crystalline-seed formation during o-phase growth. High-density defects can cause disordering of dipole moments and increase leakage current, both diminishing the polarization. These results explain the experimental puzzle that the measured polarization is much lower than the ideal value even in O-poor thin films and highlight that controlling defects is as important as promoting the o-phase fraction for enhancing ferroelectricity. The O-intermediate condition (average of O-rich and O-poor conditions) and low growth temperature are proposed for fabricating HfO₂ and (Hf,Zr)O₂ with fewer defects, lower leakage current, and stronger ferroelectricity, which challenges the belief that O-poor condition is optimal.     

Influence of the SiC matrix introduction time on the microstructure and mechanical properties of Cf/Hf0.5Zr0.5C-SiC ultra-high temperature composites

C_f/Hf_0.5Zr_0.5C-SiC composites were prepared by introducing Hf_0.5Zr_0.5C matrix (11 cycles) and SiC matrix (9 cycles) into the carbon cloth preform through precursor impregnation and pyrolysis (PIP) process. The influence of the introduction time of SiC matrix on the microstructure and mechanical properties of C_f/Hf_0.5Zr_0.5C-SiC composites was studied, and the results show that with the increase of the PIP cycles of the SiC matrix introduced before Hf_0.5Zr_0.5C matrix, the composite open porosity decreased, and the flexural strength and modulus presented an obvious upward trend. CS45 sample, which has 4 cycles of PIP SiC introduced in advance, has the highest flexural strength, flexural modulus and interfacial shear strength of 402.73 ± 35.73 MPa, 56.92 ± 3.97 GPa and 100.88 ± 7.79 MPa, respectively. Hf_0.5Zr_0.5C matrix has a loose and porous structure, so when more SiC matrix was introduced in advance, its covering effect on the surface of fibers led to less intra-bundle pores and thusly denser composite structure, and due to the compactness of SiC matrix, better overall bonding of fiber, interface and matrix was achieved, as well as better load transfer effect, which led to obvious interfacial debonding and cracking based on the in-situ SEM observation during flexural tests. While in the sample without pre-introduced SiC, the cracking occurred mainly between the interface and porous matrix and the overall performance of the material was poor.     

Hit to Leads with Cytotoxic Effect in Leukemic Cells: Total Synthesis Intermediates as a Molecule Treasure Chest

A previously designed and developed 12-step total synthesis that includes [1,1′-biphenyl]-2-amine and carbazole intermediates and that ultimately produces the carbazole alkaloid carbazomycin G was exploited as a screening compound library with the goal of identifying potential lead compound(s) with cytotoxic effect. These compounds were investigated by using in-vitro tests involving the two human cell lines HL-60 and MOLM-13, which both model acute myeloid leukaemia (AML). The in-vitro biological test results were used together with the molecular structures of the various intermediates in a concise SAR analysis. Several of the intermediates revealed cytotoxicity (IC₅₀<10⁻⁴ M), although the final natural product carbazomycin G did not reveal cytotoxicity versus the two said human cell lines.     

Mn在2297铝锂合金中的微合金化作用

利用金相显微镜、拉伸测试、SEM、TEM、STEM-HAADF等手段研究了微量Mn的添加对2297铝锂合金微观组织与力学性能的影响。结果表明,Mn在2297铝锂合金中主要以AlCuMn棒状弥散粒子和Al(CuMnFe)粗大相形式存在,并且相比Mn-free合金,2297合金中粗大相尺寸较小、分布均匀,因而合金的抗拉强度得到提高。研究表明,Mn的添加没有影响Al_3Zr粒子的析出行为,尽管析出了AlCuMn棒状弥散相,但整体上没有改变2297合金的再结晶程度。     

Microstructural characteristics of as-forged and β-air-cooled Zr–2.5Nb alloy

Multiple characterization and analysis techniques including electron backscatter diffraction (EBSD), electron channeling contrast (ECC) imaging, transmission electron microscopy (TEM) and microhardness test were jointly employed to investigate microstructural characteristics such as local composition, morphology, grain boundary characteristics and interphase orientation relationship of a forged Zr–2.5Nb alloy before and after β-air-cooling. Results show that the as-forged specimen is composed of equiaxed and lamellar α grains and continuous net-like β-Zr films. After the β-air-cooling, the microstructure of the specimen is featured by basket-weave Widmanstätten structure, in which the inter-α-plate second phases are nanoscale β-Zr. Analyses for crystallographic orientations reveal that the Burgers relationship has been strictly followed during the β→α cooling. Compared to the as-forged specimen, the hardness of the β-air-cooled specimen is higher, which could be attributed to the decreased structural sizes of both α and β phases, and the increased fraction of high angle boundaries as well.     

超高强7055铝合金铸锭均匀化工艺优化

采用光学显微镜、扫描电镜、差热分析及透射电镜等手段,对一种航空用超高强7055铝合金大尺寸铸锭的均匀化工艺进行分析与优化。提出分级提高均匀化温度的方法,在确保不发生过烧的情况下,最大限度改善铸锭质量。结果显示:低温预均匀化时,铸锭中析出大量的Al₃Zr相,能够大幅度降低对后续挤压变形的再结晶比例;对铸锭采用400 ℃×4 h+465 ℃×16 h+474 ℃×8 h的分级均匀化处理工艺,能够显著消除铸锭中低熔点相的含量,提高铸锭质量,同时相比于原工艺节省约13 h。新的均匀化处理工艺,不仅提高了生产效率,还能够为后续工艺提供良好的铸锭。     

Y_2P_4O_(13):Eu~(3+)荧光材料的制备及其性能

采用湿化学法制备了Eu~(3+)掺杂Y_2P_4O_(13)荧光材料,通过X射线粉末衍射(XRD)、傅里叶变换红外光谱(FT-IR)和荧光光谱(FL)等手段表征制备产物的物相结构、荧光性能,并对合成原料中稀土与磷的比例(n(Y+Eu)/n(P))和pH调节剂种类对制备样品的物相结构及性能的影响进行分析。结果表明:合成原料中n(Y+Eu)/n(P)比值和pH调节剂种类直接影响着制备产物的物相结构与性能。在n(Y+Eu)/n(P)=12.1、以NH_4HCO_3为pH调节剂调节pH为6的条件下可获得正交晶系的Eu~(3+)掺杂Y_2P_4O_(13)荧光材料。所制备的Y_2P_4O_(13):2at%Eu~(3+)荧光材料在395nm光的激发下可发射出橙红光。     

Phase equilibria of the Cu–Zr–Si system at 750 and 900 °C

Phase equilibria in the ternary Cu–Zr–Si system at 750 and 900 °C have been experimentally investigated via electron probe micro-analyzer (EPMA) and X-ray diffraction (XRD) analysis on the equilibrated alloys. The results show the presence of eight three-phase regions at 750 °C and seven three-phase regions at 900 °C. Four ternary phase: τ₁ (Zr₃Cu₄Si₆, tI26-Zr₃Cu₄Si₆), τ₄ (Zr₃Cu₄Si₄, oI22-Gd₃Cu₄Ge₄), τ₅ (ZrCuSi, oP12-Co₂Si), and τ₆ (Zr₃Cu₄Si₂, 2hP9-Fe₂P) were confirmed to exist in the Cu–Zr–Si ternary system at 750 and 900 °C. At 900 °C, the dark gray phase, the chemical composition of which is close to η-Cu₃Si, is confirmed to be the liquid phase. Moreover, the solubilities of Cu in ZrSi₂, SiZr and Zr₃Si₂ are considerably small. The solubility of Zr in η-Cu₃Si is determined to be negligible. The newly determined phase equilibria of the Cu–Zr–Si system in this work can provide important experimental data for the thermodynamic assessment of the Cu–Zr–Si system and to develop the Cu–Zr–Si alloys and related transition metal silicides.