半晶态聚合物拉伸变形的微观机理

应用大规模分子动力学方法,采用粗粒化聚乙烯醇模型,模拟了晶区与非晶区随机交杂的半晶态聚合物模型系统,研究了半晶态聚合物在单轴拉伸变形过程中的应力-应变行为和微观结构演变.应力-应变曲线表现出4个典型变形阶段:弹性变形、屈服、应变软化和应变强化.在拉伸变形过程中,主要存在晶区折叠链之间的滑移、晶区破坏、非晶区的解缠结,以及分子链沿拉伸方向重新取向等4种主要的微结构演变形式.在屈服点附近,晶区分子链之间排列紧密程度减小而发生滑移,之后晶区变化需要的应力变小,从而形成应变软化现象.随着应变的增大,经各分子链段协同作用使非晶区分子链的解缠结和重新取向行为扩展到相对宏观尺度,导致拉伸应力增大而形成应变强化现象.      

Characterization of the globular oxide inclusion ratings in steel using laser-induced breakdown spectroscopy

Grade assessment of steel is generally performed via the metallographic method, which is timeconsuming and is not able to provide the elemental distribution information. In this paper, we present a method to measure the globular oxide inclusion ratings in steel using laser-induced breakdown spectroscopy (LIBS). The measurement is performed in two basic steps: steel samples are polished using metallographic sand paper and the Al₂O₃ inclusion number and size distribution in a marked area are observed using scanning electron microscope/energy dispersive X-ray spectroscopy (SEM/EDS) for further LIBS scanning analysis. The threshold intensity that distinguishes soluble aluminum and insoluble aluminum inclusions is determined using LIBS combined with the SEM/EDS statistical data. Carbon steel (the sample number is S9256) and bearing steel (the sample number is GCr15) are analyzed in scanning mode, and the number of Al₂O₃ inclusions in different size ranges is obtained from the statistical information derived from the Al₂O₃ size calibration curve. According to heavy and thin series for globular oxide inclusions grade assessment, the method we propose is comparable to the traditional metallographic method in terms of accuracy; however, the process is simplified and the measurement speed is significantly improved.     

Molecular dynamics simulations of microscopic structure of ultra strong shock waves in dense helium

Hydrodynamic properties and structure of strong shock waves in classical dense helium are simulated using non-equilibrium molecular dynamics methods. The shock speed in the simulation reaches 100 km/s and the Mach number is over 250, which are close to the parameters of shock waves in the implosion process of inertial confinement fusion. The simulations show that the high-Mach-number shock waves in dense media have notable differences from weak shock waves or those in dilute gases. These results will provide useful information on the implosion process, especially the structure of strong shock wave front, which remains an open question in hydrodynamic simulations.     

Carbon-based single atom catalyst: Synthesis,characterization, DFT calculations

Carbon-based single-atom catalysts(SACs) with atomic sizes of active sites have become the promising candidates for a variety of catalytic systems because of their high atom utilization, and unique electronic structures. Different types of single-atom sites can be fabricated via multiple preparation strategies, which would demonstrate distinct different coordination configurations and electronic features, and ultimately affected the structure-catalysis relationship of SACs in targeted reactions....     

Investigation of carbon-supported Ni@Ag core-shell nanoparticles as electrocatalyst for electrooxidation of sodium borohydride

Carbon-supported Ni@Ag core-shell nanoparticles were synthesized and used as the anode electrocatalyst for direct borohydride-hydrogen peroxide fuel cell (DBHFC). The morphology, structure, and composition of the as-prepared electrocatalysts are characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), and energy dispersive spectroscopy (EDS). Electrochemical characterizations are performed by cyclic voltammetry (CV), chronoamperometry (CA), linear scan voltammetry with rotating disk electrode (LSV RDE), and fuel cell test. The catalytic behaviors and main kinetic parameters (e.g., Tafel slope, number of electrons exchanged, exchange current density, and apparent activation energy) toward BH ₄ ^‐ oxidation on Ag/C and Ni@Ag/C electrocatalysts are determined. Results show that the as-prepared nanoparticles have a core-shell structure with the average size approximately 13 nm. The kinetics of NaBH₄ oxidation is faster for Ni@Ag/C than that for Ag/C. Among the as-prepared catalysts, the highest transition electron value and the lowest apparent activation energy are obtained on Ni₁@Ag₁/C; the values are 4.8 and 20.23 kJ mol^?1, respectively. The DBHFC using Ni₁@Ag₁/C as anode electrocatalyst and Pt mesh (1 cm²) as cathode electrode obtains the maximum anodic power density as high as 8.54 mW cm^?2 at a discharge current density of 8.42 mA cm^?2 at 25 °C.     

Visualization of Vibrational Modes in Real Space by Tip‐Enhanced Non‐Resonant Raman Spectroscopy

We present a general theory to model the spatially resolved non‐resonant Raman images of molecules. It is predicted that the vibrational motions of different Raman modes can be fully visualized in real space by tip‐enhanced non‐resonant Raman scattering. As an example, the non‐resonant Raman images of water clusters were simulated by combining the new theory and first‐principles calculations. Each individual normal mode gives rise its own distinct Raman image, which resembles the expected vibrational motions of the atoms very well. The characteristics of intermolecular vibrations in supermolecules could also be identified. The effects of the spatial distribution of the plasmon as well as nonlinear scattering processes were also addressed. Our study not only suggests a feasible approach to spatially visualize vibrational modes, but also provides new insights in the field of nonlinear plasmonic spectroscopy.     

Thermotolerant and fireproof gel polymer electrolyte toward high-performance and safe lithium-ion battery

Poly(ethylene oxide)(PEO)and its derivatives based gel polymer electrolytes(GPEs)are severely limited in advanced and safe lithium-ion batteries(LIBs)owing to the intrinsically high flammability of liquid electrolytes and PEO.Directly adding flame retardants to the GPEs can suppress their flammability and thus improve the safety of LIBs,but results in deteriorative electrochemical performance.Herein,a novel GPE with chemically bonded flame retardant(i.e.diethyl vinylphosphonate)in cross-linked polyethylene glycol diacrylate matrix,featuring both high-safety and high-performance,is designed.This as-prepared GPE storing the commercial 1 mol L^-1 LiPF6 electrolyte resists high temperature of 200℃and cannot be ignited as well as possesses a high ionic conductivity(0.60 m S cm^-1)and good compatibility with lithium.Notably,the LiFePO₄/Li battery with this GPE delivers a satisfactory capacity of 142.2 m A h g^-1 and a superior cycling performance with a capacity retention of 96.3%and a coulombic efficiency of close to 100%for 350 cycles at 0.2 C under ambient temperature.Furthermore,the battery can achieve steady charge–discharge for 100 cycles with a coulombic efficiency of 99.5%at 1 C under 80℃and run normally even at a high temperature of 150℃or under the exposure to butane flame.Differential scanning calorimetry manifests significantly improved battery safety compared to commercial battery systems.This work provides a new pathway for developing next-generation advanced LIBs with enhanced performance and high safety.     

探究性教学情景下的大学物理课堂评估策略

为了评估大学物理探究性教学情景下的学生综合素质,本文作者研究课堂评估法在探究性课题教学过程中各阶段的实施策略,并进行相应教学实验,得出针对大学物理探究性教学情景下的课堂评估实施原则、方式、标准.实践表明课堂评估法与探究性教学实现了有机融合,促进了学生综合素质的提高,是一种行之有效的评估学生综合素质的教学评价方法.     

Cerium oxide nanoparticles protect primary mouse bone marrow stromal cells from apoptosis induced by oxidative stress

The sintering of a silver (Ag) nanoparticle film by laser beam irradiation was studied using a CW DPSS laser. The laser sintering of the Ag nanoparticle thin film gave a transparent conductive film with a thickness of ca. 10 nm, whereas a thin film sintered by conventional heat treatment using an electronic furnace was an insulator because of the formation of isolated silver grains during the slow heating process. The laser sintering of the Ag nanoparticle thin film gave a unique conductive network structure due to the rapid heating and quenching process caused by laser beam scanning. The influences of the laser sintering conditions such as laser scan speed on the conductivity and the transparency were studied. With the increase of scan speed from 0.50 to 5.00 mm/s, the surface resistivity remarkably decreased from 4.45 × 10⁸ to 6.30 Ω/sq. The addition of copper (Cu) nanoparticles to silver thin film was also studied to improve the homogeneity of the film and the conductivity due to the interaction between the oxidized surface of Cu nanoparticle and a glass substrate. By adding 5 wt% Cu nanoparticles to the Ag thin film, the surface resistivity improved to 2.40 Ω/sq.     

Finite element method for viscoelastic medium with damage and the application to structural analysis of solid rocket motor grain

This paper studies the damage-viscoelastic behavior of composite solid propellants of solid rocket motors(SRM).Based on viscoelastic theories and strain equivalent hypothesis in damage mechanics,a three-dimensional(3-D)nonlinear viscoelastic constitutive model incorporating with damage is developed.The resulting viscoelastic constitutive equations are numerically discretized by integration algorithm,and a stress-updating method is presented by solving nonlinear equations according to the Newton-Raphson method.A material subroutine of stress-updating is made up and embedded into commercial code of Abaqus.The material subroutine is validated through typical examples.Our results indicate that the finite element results are in good agreement with the analytical ones and have high accuracy,and the suggested method and designed subroutine are efficient and can be further applied to damage-coupling structural analysis of practical SRM grain.