Defect structure of Cu2+ center in K2SO4‒Na2SO4‒ZnSO4 glasses

The spin Hamiltonian parameters (g factors g _//, g _⊥ and hyperfine structure constants A _//, A _⊥) of Cu²⁺ in K₂SO₄?Na₂SO₄?ZnSO₄ glasses are calculated from the high-order perturbation formulas of 3d⁹ ion in tetragonal octahedral sites. The calculated results are in agreement with the observed values. Since the EPR parameters are sensitive to the local structure of a paramagnetic impurity center, the defect structure of Cu²⁺ center in K₂SO₄?Na₂SO₄?ZnSO₄ glasses is estimated. The validity of results is discussed.     

Stress-assisted nucleation and growth of γ″ and γ′ precipitates in a Cu–1.2 wt%Be–0.1 wt%Co alloy aged at 320°C

An investigation by high-resolution transmission electron microscopy of the precipitation process during ageing a Cu–1.2?wt%Be–0.1?wt%Co alloy at 320°C has revealed that the transition phases follow a γ″→ γ″?+?γ′?→?γ sequence. The γ′ phase heterogeneously precipitates on the γ″ phase. The effects of an external stress on the nucleation and growth of disc-shaped γ″ and plate-shaped γ′ precipitates have been examined for the alloy aged at 320°C. A compressive stress applied in the [001] direction during ageing preferentially accelerates the nucleation and growth of the γ″ variant normal to the [001] axis among three crystallographically equivalent variants and the specific four γ′ variants formed on the γ″ variant normal to the [001] axis. A tensile stress does not significantly affect those of γ″ and γ′ precipitates. The critical diameter of the disc-shaped γ″ nucleus is estimated as about 1?nm from evaluation of the interaction energy between the applied stress and the misfit strains of γ″ precipitates. It is proposed that applied external stress does not affect the diffusion rate but the interphase boundary velocity.     

Fractal and structural aspects of adhesion in particulate-filled polymer composites

Two types of composites based on poly(hydroxy ether) and graphite with various amounts of a filler have been investigated by various methods. The methods have been used to estimate the characteristics of adhesion and interfacial layer, including its thickness and tensile strength and interdependence between these values and adhesion. The results are treated on the basis of the theory of irreversible aggregation, cluster theory of the polymer structure and fractal analysis. It is established that all important characteristics of adhesion, interfacial layer and mechanical properties are interconnected with the difference between fractal dimensions of the surface of the aggregates of filler particles and of a polymer matrix, whose structure is distorted under the influence of the filler surface.     

一维守恒的Lagrangian ADER格式

基于欧拉框架下ADER格式,构造一维守恒只有一个时间步的、高精度中心型拉格朗日ADER(LADER)格式.构造r阶LADER格式包括:从欧拉方程出发推导拉格朗日框架下积分形式的方程、采用WENO方法高精度重构节点处守恒量和从1阶到r-1阶的空间导数、求拉氏框架下这些变量的Godunov值,并计算1阶到r-1阶的时间全导数,最后高精度离散积分形式的流通量函数.对光滑流场的模拟表明,LADER格式达到设计的精度;对含强间断的流场模拟表明,数值解在间断附近基本无振荡.     

模型飞行验证系统测控与信息传输技术研究

模型飞行验证系统是为更加有效地开展模型自由飞试验研究而设计的通用试验系统,测控(TT C)与信息传输系统是其信息保障的核心。本文在充分考虑模型自由飞试验特点的基础上,重点研究了模型飞行验证系统研制过程中的测控与信息传输技术,介绍了其工作原理及实现方法,并对部分结果进行分析。     

Optimization of Neutrino Oscillation Parameters Using Differential Evolution

We show how the traditional grid based method for finding neutrino oscillation parameters m2 and tan 2θ can be combined with an optimization technique,Differential Evolution(DE),to get a significant decrease in computer processing time required to obtain minimal chi-square(χ2) in four different regions of the parameter space.We demonstrate efficiency for the two-neutrinos case.For this,the χ2 function for neutrino oscillations is evaluated for grids with different density of points in standard allowed regions of the parameter space of m2 and tan 2θ using experimental and theoretical total event rates of chlorine(Homestake),Gallex+GNO,SAGE,Superkamiokande,and SNO detectors.We find that using DE in combination with the grid based method with small density of points can produce the results comparable with the one obtained using high density grid,in much lesser computation time.     

Structure and NMR properties of 6‐substituted‐5,6‐dihydrobenzo[c]phenanthridine alkaloids

We report a preparation of new 6‐substituted‐5,6‐dihydrobenzo[c]phenanthridines by the reaction of azoles with quaternary benzo[c]phenanthridine alkaloids sanguinarine and chelerythrine. The prepared compounds have been characterized by NMR spectroscopy, mass spectrometry, and single‐crystal X‐ray diffraction. Conformational behaviors of carbazole derivatives in solution have been investigated by low‐temperature NMR experiments. Barriers to rotation around newly formed C6–N bonds were determined to be 12–13 kcal/mol. Quantum chemical calculations have been used to reproduce the experimental observations. Large structural effects on several ¹H NMR resonances were observed experimentally, analyzed by Density Functional Theory (DFT) calculations at B3LYP/6‐311+G(d,p)/PCM level, and interpreted by ring‐current effects of the benzo[c]phenanthridine and carbazole units. Copyright © 2013 John Wiley & Sons, Ltd.     

Maximum entropy principle for rarefied polyatomic gases

The aim of this paper is to show that the procedure of maximum entropy principle for the closure of the moments equations for rarefied monatomic gases can be extended also to polyatomic gases. The main difference with respect to the usual procedure is the existence of two hierarchies of macroscopic equations for moments of suitable distribution function, in which the internal energy of a molecule is taken into account. The field equations for 14 moments of the distribution function, which include dynamic pressure, are derived. The entropy and the entropy flux are shown to be a generalization of the ones for classical Grad’s distribution. The results are in perfect agreement with the recent macroscopic approach of extended thermodynamics for real gases.     

Mdm2生成速率调控的p53-Mdm2振子的全局动力学和稳定性

肿瘤抑制蛋白p53的动力学在一定程度上可以决定DNA损伤后的细胞命运.p53的动力学行为与p53信号通路中p53-Mdm2振子模块密切相关.然而,p53的负调控子Mdm2的生成速率的增加使其在一些癌细胞中过表达.因此探讨Mdm2生成速率对p53动力学的影响有重要意义.同时,PDCD5作为p53的激活子也调控p53的表达.因此,本文针对PDCD5调控的p53-Mdm2振子模型,通过分岔分析获得了Mdm2生成速率所调控的p53的单稳态、振荡以及单稳态与振荡共存的动力学行为,且稳定性通过能量面进行了分析.此外,噪声强度对p53动力学的稳定性有重要的影响.因此,针对p53的振荡行为,探讨了噪声强度对势垒高度和周期的影响.本文所获得的结果对理解DNA损伤后的p53信号通路调控起到一定的指导作用.     

Electro-optic properties of nematic and ferroelectric liquid crystalline nanocolloids doped with partially reduced graphene oxide

Flakes of partially reduced graphene oxide (PRGO) were doped in nematic liquid crystals (NLCs) and ferroelectric liquid crystals (FLCs), respectively. The dielectric and electro-optical properties of NLCs doped with those flakes have been investigated. Threshold voltage and switching times are reduced by 30%–50%. This is primarily due to the decrease of the elastic properties of the nanocolloids compared to the non-doped nematics. The influence of the PRGO flakes on the spontaneous polarization, tilt angle and switching time of FLCs was investigated too. Such flakes reduce the response time by 40%–60%, increases spontaneous polarization by 20%–25% and increase the tilt angle by 15%–20%.