Relating glass formation to eutectic composition in Cu100-xZrx alloy by molecular dynamics simulation

The relationship between eutectic compositions and glass-forming ability (GFA) in Cu_100-xZr_x (x = 8–83) system is studied by molecular dynamic (MD) simulation based on the embedded atom method (EAM). Local maxima of GFA occur in Cu₅₆Zr₄₄, Cu₄₇Zr₅₃ and Cu₃₁Zr₆₉ alloys, close to eutectic points in Cu-Zr binary phase diagram. The structural parameters indicate that the heterogeneous Cu-Zr pairs exhibit stronger and more stable interaction than that of homogeneous pairs. The small peak with a negative amplitude ahead of the main peak in S_CuZr(Q) also implies the preference of Cu-Zr pairs. The avoidance of Cu-Cu neighbours and Zr-Zr neighbours, which correspond to the prepeak prior to the main peak of S_CuCu(Q) and S_ZrZr(Q), leads to structural order on intermediate length scales. Perfect and defect icosahedra constitute medium range order (MRO) clusters by sharing atoms, which promotes the glass formation.     

Total synthesis of (+)-davidiin

Quite strained: The total synthesis of (+)-davidiin, an ellagitannin with more substituents in axial than in equatorial positions, requires a conformational lock of the glucose, induced by steric repulsion between adjacent bulky silyloxy groups. This conformational lock played a pivotal role in 1)?the β-selective formation of the glycosyl ester at the anomeric position, 2)?the formation of the 1,6-HHDP bridge, and 3)?the complete control of axial chirality in the aryl-aryl coupling.     

超临界二氧化碳中甲基-β-环糊精与聚丙二醇的包合

探索了超临界二氧化碳介质中甲基-β-环糊精和两种线型聚丙二醇间的穿合(threadinginclusion);并和相同温度下空气中的固态包合反应进行了比较。在无溶剂状态下,原处于无定形态的甲基-β-环糊精可与聚丙二醇链作用形成具有圆筒状结构的结晶态包合物,引入适量二氧化碳可明显增大包合反应的程度;将聚丙二醇链两端的羟基换为丙烯酸酯基可使反应进一步加强。     

Flow Injection Chemiluminescence Determination of Phenol in Neutral Medium

A new flow injection chemiluminescence method for the determination of phenol was proposed, based upon the chemiluminescence reaction of phenol, N-bromosuccinimide, and hydrogen peroxide in neutral aqueous medium in the presence of cetyltrimethylammonium bromide surfactant micelles. The chemiluminescence signal was proportional to the concentration of phenol in the range of 1.0 × 10^?7?8.0 × 10^?6 g/mL with a detection limit of 3 × 10^?8 g/mL. The relative standard deviation for 1.0 × 10^?6 g/mL phenol solution was 2.0% (n = 11). The proposed method was successfully applied to the determination of phenol in phenol ear drops. A possible CL reaction mechanism was also discussed briefly.     

SmS phase transition in thin films prepared by reactive evaporation

Preparation and analysis of thin films containing samarium sulfide (SmS) is presented along with a review of relevant SmS properties. Films were deposited onto unheated substrates by the reactive evaporation of samarium in a backpressure of hydrogen sulfide. This technique yields films that contain significant quantities of impurities; however high-quality SmS crystals are also formed. A phase transition in the SmS crystals was observed both by spectrophotometry and x-ray diffraction. The film optical properties can be modeled with an effective medium calculation. The predicted spectra successfully reproduce the observed qualitative features over a wide range of wavelengths.     

Effective electrical and thermal conductivity of multifilament twisted superconductors

The effective electrical and thermal conductivity of composite wire with twisted superconducting filaments embedded into normal metal matrix is calculated using the extension of Bruggeman method. The resistive conductivity of superconducting filaments is described in terms of symmetric tensor, whereas the conductivity of a matrix is assumed to be isotropic and homogeneous. The dependence of the resistive electrical conductivity of superconducting filaments on temperature, magnetic field, and current density is implied to be parametric. The resulting effective conductivity tensor proved to be non-diagonal and symmetric. The non-diagonal transverse–longitudinal components of effective electrical conductivity tensor are responsible for the redistribution of current between filaments. In the limits of high and low electrical conductivity of filaments the transverse effective conductivity tends to that of obtained previously by Carr. The effective thermal conductivity of composite wires is non-diagonal and radius-dependent even for the isotropic and homogeneous thermal conductivities of matrix and filaments.     

Accuracy analysis of simplified and rigorous numerical methods applied to binary nanopatterning gratings in non-paraxial domain

A set of simplified and rigorous electromagnetic vector theories is used for analyzing the transmittance characteristics of diffraction phase gratings. The scalar diffraction theory and the effective medium theory are validated with the exact results obtained via the rigorous coupled-wave theory and the finite-difference time-domain method. The effects of surface profile parameters and also the angle of incidence is demonstrated to be a limiting factor in the accuracy of these theories. Therefore, the error of both simplified theories is also analyzed in non-paraxial domain with the intention of establishing a specific range of validity for both simplified theories.