Modification of the lunar surface by solar wind ion bombardment

Trivalent osmium ions are substitutionally incorporated into aqueous precipitates and melt-grown single crystals of AgBr and AgC1. The ions are distributed between three structurally inequivalent lattice sites in both salts. From epr studies, we have inferred that these sites are distinguished by the arrangement of charge-compensating silver ion vacancies in the two closest cation subshells. The most reasonable dopant-vacancy configurations have been deduced from the epr data. These configurations persist up to at least 300 K, and are compared with those observed in other trivalent metal ion doped systems.     

ZnAl2O4：Tb3+荧光粉的合成、结构及其光学性能研究

通过溶胶-凝胶法制备出不同Tb³⁺掺杂浓度和不同二次煅烧温度下的ZnAl₂O₄:Tb³⁺荧光粉, 并利用X射线衍射(XRD)和荧光光谱等对样品进行了表征。由XRD结果可知,当Tb³⁺掺杂的摩尔分数不大于9%,二次煅烧温度在600℃以上时,所得粉体为结晶性良好的尖晶石相。在紫外光激发下,ZnAl₂O₄:Tb³⁺荧光粉的发射光谱由位于488 nm(⁵D₄→⁷F₆)、542 nm(⁵D₄→⁷F₅)、587 nm(⁵D₄→⁷F₄ )和621.5 nm(⁵D₄→⁷F₃)的4个发射峰组成。研究发现,Tb³⁺的掺杂浓度和二次煅烧温度对样品发光强度有着重要影响,当Tb³⁺的摩尔分数为5%,二次煅烧温度为900℃时,ZnAl₂O₄:Tb³⁺荧光粉的发光最强,继续增加Tb³⁺掺杂浓度或提高煅烧温度,分别会出现浓度猝灭和温度猝灭现象。     

Quantum anomalous Hall effect and related topological electronic states

Over a long period of exploration, the successful observation of quantized version of anomalous Hall effect (AHE) in thin film of magnetically doped topological insulator (TI) completed a quantum Hall trio—quantum Hall effect (QHE), quantum spin Hall effect (QSHE), and quantum anomalous Hall effect (QAHE). On the theoretical front, it was understood that the intrinsic AHE is related to Berry curvature and U(1) gauge field in momentum space. This understanding established connection between the QAHE and the topological properties of electronic structures characterized by the Chern number. With the time-reversal symmetry (TRS) broken by magnetization, a QAHE system carries dissipationless charge current at edges, similar to the QHE where an external magnetic field is necessary. The QAHE and corresponding Chern insulators are also closely related to other topological electronic states, such as TIs and topological semimetals, which have been extensively studied recently and have been known to exist in various compounds. First-principles electronic structure calculations play important roles not only for the understanding of fundamental physics in this field, but also towards the prediction and realization of realistic compounds. In this article, a theoretical review on the Berry phase mechanism and related topological electronic states in terms of various topological invariants will be given with focus on the QAHE and Chern insulators. We will introduce the Wilson loop method and the band inversion mechanism for the selection and design of topological materials, and discuss the predictive power of first-principles calculations. Finally, remaining issues, challenges and possible applications for future investigations in the field will be addressed.     

Microstructure,Rheology, and Potential Oil Absorbency of Poly(Butyl Methacrylate) and Poly(Hydroxyethyl Methacrylate) Blends

To prepare oil-absorptive polymers with moderate cross-linking structure, poly(butyl methacrylate) (PBMA) was synthesized as a linear hydrophobic polymer by suspension polymerization. In addition, hydroxyethyl methacrylate (HEMA), as a monomer, which could construct a network structure among the macromolecules via hydrogen bond interactions, was solution polymerized in dimethylacetamide (DMAc) with PBMA, yielding a polymer blend of PBMA and PHEMA. The solution of the polymer blend was investigated by rotational viscometry and extended rheometry. The results showed that the viscosity varied greatly with the temperature and shear rate for three different compositions. Fourier transform infrared (FTIR) spectra indicated that an entanglement or interlocking cross-linking structure of molecular chains was constructed by hydrogen bonds. The results from nuclear magnetic resonance (NMR) spectra exhibited a downfield movement of the proton peak as influenced by end groups or hydroxyls in the polymer chains. The rheological measurements demonstrated that the cross-linking structure greatly affected the rheological behavior of the blend solution. In addition, the cross-linking structure was also evaluated by oil absorbency of films.     

On the molecular mechanism of the crystal transformation (tetragonal-hexagonal) in polybutene-1

The phase transformation from the tetragonal to the hexagonal crystal modification in highly oriented lamellae of poly-butene-1 has been followed by transmission electron microscopy (TEM). It is found that the reaction-controlling step is the nucleation process. No lattice orientation relationship (besides the [001]-direction, which is parallel in both crystal modifications) exists between non-transformed and transformed crystals. The nucleation is strongly enhanced by thermal or external stresses. Crystal growth, nucleated by external stresses, was observed at temperatures as low as — 150°C. The molecular mechanisms of the transformation are discussed.     

Harmonics in the stress response of a WCA-Lennard-Jones liquid under oscillatory elongational flow

The WCA fluid shows a nonlinear behaviour toward a periodic elongational flow through the presence of higher harmonics in stress responses. At the same time the liquid remains purely viscous and isotropic. The absence of numerical artefacts is checked and the physical origin of the harmonics is discussed.     

Crystal Structure and Interaction of 6-Amino Coumarin with Nitrite Ion for Its Selective Fluorescence Detection

ABSTRACT

6-Amino coumarin has been established as an efficient nitrite ion selective fluorescent sensor. The developed method shows linearity up to 1.6 × 10^?6 mol L^?1 of nitrite ion concentration. Interference from other common anions is almost negligible. The reagent shows strong binding affinity towards nitrite ion as evident from its binding constant value (5.8 × 10⁴), estimated by Stern-Volmer method. Some real samples were analyzed. Single crystal X-ray structure of the reagent is reported. Preliminary computational studies on the molecular level interaction between the reagent and nitrite ion were performed by density functional theory (DFT, B3LYP) method.     

Epoxy/Silica Nanohybrids or Nanocomposites: Atomic Force Microscopy and X-ray Photoelectron Spectroscopy Investigation of the Processing–Structure–Property Relationships

The structural and morphological features influencing the glass transition temperature of epoxy/silica nanohybrid and nanocomposite materials containing 25–30 phr of nanoscale silica phases are discussed in this letter to answer the questions related to the processing–structure–property relationships. X-ray photoelectron spectroscopy and atomic force microscopy are used to study the surface chemical structure and morphology of epoxy/silica nanohybrids and nanocomposites. Nanohybrids are synthesized via in situ sol-gel process, while the respective nanocomposites are prepared by mechanical blending of preformed silica nanoparticles into epoxy resin. Differential scanning calorimetry is used to determine glass transition temperature of different materials. The surface analytical characterizations reveal that in situ sol-gel process is more suitable for producing organic–inorganic hybrid materials with superior glass transition temperature owing to the achievement of stronger interfacial compatibility and greater crosslink density. A number of other factors affecting glass transition temperature are explored and discussed with reference to surface chemistry, microstructure, and morphology of epoxy/silica nanohybrids and nanocomposites, respectively.     

Structure refinement of sub-cubic-mm volume sample at high pressures by pulsed neutron powder diffraction: application to brucite in an opposed anvil cell

Neutron powder diffraction measurements of 0.9 mm³ of mixture of deuterated brucite and pressure medium were conducted at pressures to 2.8 GPa, using an opposed anvil cell and a medium-resolution diffractometer at Japan Proton Accelerator Research Complex pulsed neutron source. Spurious-free diffraction patterns were successfully obtained and refined to provide all structural parameters including Debye–Waller factors. Tilting of hydroxyl dipoles of brucite toward one of the three nearest-neighbor oxygen anions was confirmed to be substantial at pressure as low as 1.5 GPa. By this application, technical feasibility to analyze such a small sample has been newly established, which would be useful to extend the applications of neutron diffraction at high pressures.