Microstructure,mechanical, tribological,and oxidizing properties of AlCrSiN/AlCrVN/AlCrNbN multilayer coatings with different modulated thicknesses

Multilayer structure design is one of the most promising methods for improving the comprehensive performance of AlCrN-based hard coatings applied to cutting tools. In this study, four types of AlCrSiN/AlCrVN/AlCrNbN multilayer coatings, with different modulated thicknesses, were deposited to investigate their microstructure, mechanical, tribological, and oxidizing properties. All multilayer coatings exhibited grain growth along the crystallographic plane of (200) with a NaCl-type face-centered cubic (FCC) structure. The results show that, as the modulation thickness decreases from ～35 nm to ～10 nm, (1) the grain refinement effect is increasingly evident; (2) all multilayer coatings show a hardness of >30 GPa and an elastic modulus of >300 GPa. Both the ability to resist elastic strain to failure and the plastic deformation of multilayer coatings increase. In addition, their resistance to cracking reduces; (3) the wear rates of these multilayer coatings reduce successively from 1.78 × 10^?16 m³ N^?1 m^?1 to 7.7 × 10^?17 m³ N^?1 m^?1. This is attributed to an increase in self-lubricating VO_x and a decrease in adhesives from the counterparts; (4) the best high-temperature oxidation resistance was obtained for the multilayer coating with a modulated thickness of ～15 nm.     

Comparison of co-current and counter-current flow in a bifunctional reactor containing ammonia synthesis and 2-butanol dehydrogenation to MEK

In this study, a multi-tubular thermally coupled packed bed reactor in which simultaneous production of ammonia and methyl ethyl ketone (MEK) takes place is simulated. The simulation results are presented in two co-current and counter-current flow modes. Based on this new configuration, the released heat from the ammonia synthesis reaction as an extremely exothermic reaction in the inner tube is employed to supply the required heat for the endothermic 2-butanol dehydrogenation reaction in the outer tube. On the other hand, MEK and hydrogen are produced by the dehydrogenation reaction of 2-butanol in the endothermic side, and the produced hydrogen is used to supply a part of the ammonia synthesis feed in the exothermic side. Thus, 30.72% and 31.88% of the required hydrogen for the ammonia synthesis are provided by the dehydrogenation reaction in the co-current and counter-current configurations, respectively. Also, according to the thermal coupling, the required cooler and furnace for the ammonia synthesis and 2-butanol dehydrogenation conventional plants are eliminated, respectively. As a result, operational costs, energy consumption and furnace emissions are considerably decreased. Finally, a sensitivity analysis and optimization are applied to study the effect of the main process parameters variation on the system performance and obtain the minimum hydrogen make-up flow rate, respectively.     

Low shear rheological behaviour of two-phase mesophase pitch

The low shear rate rheology of two phase mesophase pitches derived from coal tar pitch has been investigated. Particulate quinoline insolubles (QI) stabilised the mesophase spheres against coalescence. Viscosity measurements over the range 10–10⁶ Pa s were made at appropriate temperature ranges. Increasing shear thinning behaviour was evident with increasing mesophase content. At low mesophase contents the dominant effect on the near Newtonian viscosity was temperature but at higher contents it was the shear rate; temperature dependence declined to near zero. The data indicated that agglomeration could be occurring at intermediate mesophase volume fractions, 0.2–0.3. The Krieger–Dougherty function and its emulsion analogue indicated that in this region the mesophase pitch emulsions actually behaved like ‘hard’ sphere systems and the effective volume fraction was estimated as a function of shear rate illustrating the change in extent of agglomeration. At the higher volume fractions approaching the maximum packing fraction, which could only be measured at higher temperatures, the shear thinning behaviour changed in character and it is considered that this is possibly due to shear induced deformation and breakup of dispersed drops in the shear field.     

Theoretical study of the structural,elastic and thermodynamic properties of chalcopyrite ZnGeP2

The structural, elastic, and thermodynamic properties of ZnGeP₂ with chalcopyrite structure are investigated using the pseudo-potentials plane wave method based on the density functional theory with the generalized gradient approximation. The lattice parameters (a, c and u) are directly calculated and agree well with previous experimental and theoretical results. The obtained negative formation enthalpy shows that ZnGeP₂ crystal has strong structural stability. We have also calculated the bulk modulus B and the elastic parameters (C₁₁, C₁₂, C₁₃, C₃₃, C₄₄, and C₆₆) which have not been measured yet. The accuracy and reliability of the calculated elastic constants of ZnGeP₂ crystal are discussed. In addition, the pressure and temperature dependencies of the lattice parameters, bulk modulus, Debye temperature, Grüneisen parameter, entropy, volume thermal expansion coefficient, and specific heat capacity are obtained in the ranges of 0–20 GPa and 0–1200 K using the quasi-harmonic Debye model. To our knowledge this is the first quantitative theoretical prediction of the thermodynamic properties for ZnGeP₂ compound and still awaits experimental confirmations.     

Structure,dielectric properties of novel Ba(Zr,Ti)O3 based ceramics for energy storage application

(1-x) Ba(Zr_0.2Ti_0.8)O₃-x Na_0.5Bi_0.5TiO₃ (x = 0, 10, 20 30, 40, 50 mol%) (BZTN) ceramics are prepared by the traditional solid phase method. All BZTN ceramics exhibit a pseudo-cubic BZT based perovskite structure. Both the average grain size and the relaxor ferroelectricity of BZTN ceramics gradually increase with increasing NBT content. The W_rec of 3.22 J/cm³ and η of 91.2% is obtained for the BZTN40 ceramic at 241 kV/cm. BZTN40 ceramic also exhibits good temperature stability from room temperature to 150 °C and frequency stability from 1 Hz to 100 Hz. A P_D of 0.621 J/cm³ and a t_0.9 of 82 ns is obtained for the BZTN40 ceramic at 120 kV/cm. BZTN ceramics show application potential in energy storage and pulse power capacitors.     

含氮金刚石结构中Jahn-Teller畸变效应的计算

研究了由J.Bourgoin和M.Lannoo提出的半导体内Jahn-Teller畸变效应的计算理论。应用Bourgoin和Lannoo的方法研究了含中心氮杂质金刚石结构的Jahn-Teller畸变问题,计算了34C+N簇团的T2模耦合沿%111&晶向的Jahn-Teller畸变效应,结果与实验相符。     

二维谐振子与二维氢原子的能量及波函数

借助于ＳＵ(１,１)代数,找出了二维谐振子与二维氢原子的能量及波函数间的关系．     

11B and 15N solid state NMR investigation of a boron nitride preceramic polymer prepared by ammonolysis of borazine

A poly(aminoborazine), precursor for hexagonal boron nitride (h-BN) obtained by reaction of borazine B₃N₃H₆ with ammonia, and its pyrolysis derivatives have been extensively characterised by ¹⁵N and ¹¹B MAS NMR. The various B and N sites have been identified according to their first neighbouring atoms, as well as to the second ones in the case of ¹⁵N, and have also been quantified. This study demonstrates that a suitable choice of NMR techniques together with the use of isotopic enrichment can lead to a large improvement in spectral resolution, which allows a better understanding of such complex BN preceramic polymer structures and permits to follow the polymer-to-ceramic transformation.     

The influence of Johnson–Cook material constants on finite element simulation of machining of AISI 316L steel

In literature, five different sets of work material constants used in the Johnson–Cook's (J–C) constitutive equation are implemented in a numerical model to describe the behaviour of AISI 316L steel. The aim of this research is to study the effects of five different sets of material constants of the J–C constitutive equation in finite-element modelling of orthogonal cutting of AISI 316L on the experimental and predicted cutting forces, chip morphology, temperature distributions and residual stresses. Several experimental equipments were used to estimate the experimental results, such as piezoelectric dynamometer for cutting forces measurements, thermal imaging system for temperature measurements and X-ray diffraction technique for residual stresses determination on the machined surfaces; while an elastic–viscoplastic FEM formulation was implemented to predict the local and global variables involved in this research. It has been observed that all the considered process output and, in particular the residual stresses are very sensitive to the J–C's material constants.