Comments on the article ‘Comparison of calculations for interplanar distances in a crystal lattice’, by Ying Liu,Yue Liu & Michael G. B. Drew

Some statements in the review by Liu et al. [Liu Y, Liu Y, Drew GB. Comparison of calculations for interplanar distances in a crystal lattice. Cryst Rev. 2017] are corrected. The role of metric tensor to simplify calculations of interplanar spacings in crystal lattices is emphasized.     

Monte Carlo calculation of energy loss of hydrogen and helium ions transmitted under channelling conditions in silicon single crystal

In this work, we report on calculations of the electronic channelling energy loss of hydrogen and helium ions along Si〈1 0 0〉 and Si〈1 1 0〉 axial directions for the low energy range by using the Monte Carlo simulation code. Simulated and experimental data are compared for protons and He ions in the 〈1 0 0〉 and 〈1 1 0〉 axis of silicon. A reasonable agreement was found.Computer simulation was also employed to study the angular dependence of energy loss for 0.5, 0.8, 1, and 2 MeV channelled ⁴He ions transmitted through a silicon crystal of 3 μm thickness along the 〈1 0 0〉 axis.     

不同温度下U_3O_8结构的XRD研究

在大气环境及25～850℃条件下，用X射线衍射(XRD)法研究了八氧化三铀(U3O8)的结构变化情况。在实验温度范围内发现，U3O8存在两种相结构，相变温度约为300℃。低于300℃时，U3O8为底心正交结构(Amm2)，在300℃附近转变为对称性更高的简单六方结构(P-62m)。在两种相结构稳定的温度范围内，U3O8的点阵参数随温度的增加呈现出规律性变化。     

高压高温处理条件下钻石中晶格缺陷的演化与呈色

实验室的高压高温条件为褐黄色钻石中的晶格缺陷提供了足够的均向压力和势能,有助于Ⅰa,型,Ⅱa型褐黄色钻石中的位错发生攀移,重组,湮灭,增殖和滑移,最终转变成无色,黄绿色及蓝色钻石。研究表明,由两组细密,微波状,明暗相间,断续排列且边界渐变的变形带组成的似格状应力图案属修复型滑移面（线）系,代表了IIa型钻石中位错的攀移,重组合和湮灭,沿钻石四方生长环带方向相间有序排列的位错壁和边界突变似聚片双晶的强度形带属增强型滑移面（线）系,代表了Ia型钻石中位错的增殖和运动,3760cm^-1（低温状态下为3738cm^-1)拉曼谱峰与2087,796cm^-1拉曼谱带一道归属钻石中晶格缺陷心所致。证实晶格缺陷的形成与演化共同制约了钻石的呈色和发光。     

协调决策形式背景的属性约简

本文研究基于对象定向概念格和属性定向概念格协调决策形式背景属性约简的问题。首先介绍了协调决策形式背景属性约简的概念,讨论了其等价的定义。进一步给出了属性约简的判定定理和相应的可辩识属性矩阵,从而为概念格中协调决策形式背景属性约简提供了一种具体的方法。     

Use of solvent free-volume parameters from 13c relaxation to study polymer/solvent diffusion behavior

Variable temperature ¹³C nuclear magnetic resonance (NMR) spinlattice (T₁) relaxation studies were carried out using pure ethylbenzene, tetrahydrofuran, and methanol samples. Single correlation times, determined from an isotropic rotational diffusion model, were correlated successfully using the free-volume equation. The solvent free-volume parameters estimated in this study were comparable with those determined from viscosity measurements. The solvent free-volume parameters estimated in this study were then used to correlate and predict diffusion behavior of polymer/solvent systems. The results were comparable with those using the parameters from viscometry when the Vrentas–Duda free-volume diffusion model was used.     

组合着色锆英石型颜料的呈色机理

考察了稀土元素的呈色效果和组合着色锆英石型颜料的物相变化过程.从晶体结构和谱学特征探讨了锆英石型稀土陶瓷颜料的呈色机理.利用 XRD 内标法和分光光度计研究了Zr_(1-(x+y))Cr_xPr_ySiO_4的晶格常数、晶格畸变和分光反射率.发现 Pr~(3+)离子使晶格胀大、产生畸变,从而导致光学性质的变化.     

Phase Stability and Physical Properties of Cubic and Tetragonal ZrO2 in the System ZrO2–Y2O3–Ta2O5

The cubic ( c -ZrO₂) and tetragonal zirconia ( t -ZrO₂) phase stability regions in the system ZrO₂–Y₂O₃–Ta₂O₅ were delineated. The c -ZrO₂ solid solutions are formed with the fluorite structure. The t -ZrO₂ solid solutions having a c/a axial ratio (tetragonality) smaller than 1.0203 display high fracture toughness (5 to 14 MPa · m^1/2), and their instability/transformability to monoclinic zirconia ( m -ZrO₂) increases with increasing tetragonality. On the other hand, the t -ZrO₂ solid solutions stabilized at room temperature with tetragonality greater than 1.0203 have low toughness values (2 to 5 MPa · m^1/2), and their transformability is not related to the tetragonality.     

The far infra-red spectrum of poly(vinyl chloride)

The far infra-red spectrum of a poly(vinyl chloride) sample prepared by the urea clathrate (UC) route has been measured at various temperatures in the range 60 to 320 K. The results, taken in conjunction with those for two less highly ordered polymers, indicate that a revision of the assignments of earlier workers, based on normal coordinate calculations and on the measured spectra of secondary alkyl chlorides such as 2-chlorobutane, is required. The band at 65 cm^?1 is attributed to a lattice mode and is not indicative of weak hydrogen bonds of the type CH…ClC. However, it is suggested that the band at 185 cm^?1, which is particularly clear and sharp with the UC polymer, probably originates from an interaction of this type, occurring specifically at tight chain folds.     

Thermal expansion performance and intrinsic lattice thermal conductivity of ferroelastic RETaO4 ceramics

Ferroelastic RETaO₄ ceramics are promising thermal barrier coatings (TBCs) because of their attractive thermomechanical properties. The influence of crystal structure distortion degree on thermomechanical properties of RETaO₄ is estimated in this work. The relationship between Young's modulus and TECs is determined. The highest TECs (10.7 × 10⁻⁶ K⁻¹, 1200°C) of RETaO₄ are detected in ErTaO₄ ceramics and are ascribed to its small Young's modulus and low Debye temperature. The intrinsic lattice thermal conductivity (3.94-1.26 W m⁻¹ K⁻¹, 100-900°C) of RETaO₄ deceases with increasing of temperature due to an elimination in thermal radiation effects. The theoretical minimum thermal conductivity (1.00 W m⁻¹ K⁻¹) of RETaO₄ indicates that the experimental value is able to be reduced further. We have delved deeply into the thermomechanical properties of ferroelastic RETaO₄ ceramics and have emphasized their high-temperature applications as TBCs.