冲击作用下纳米孔洞动力学行为的多尺度方法模拟研究

本文利用多尺度方法研究了包含孔洞金属材料在冲击加载条件下的动力学行为. 该多尺度方法结合了分子动力学和有限元方法,分子动力学方法运用于局部缺陷区域,而有限元方法运用于整个模型区域,两种方法之间使用桥尺度函数进行连接. 计算结果既包括了系统宏观的物理信息,如应变场、应力场、温度场等,也得到了微观原子的物理信息,如原子能量和位置坐标等. 结合以上的模拟结果,发现孔洞的坍塌与材料屈服强度和冲击强度有关,而孔洞坍塌和坍塌过程中对微喷射原子的压缩过程是形成局部热点的主要原因. 同时也发现孔洞坍塌形成的位错和局部热点可以导致局部绝热剪切带更容易形成. 关键词： 微孔洞 热点 冲击加载 多尺度方法     

Description of Rotation Bands in^157,158Er at Ultrahigh Spin

Properties of the four rotation bands, ^157Er（1,2） and ^15SEr（1,2）, at ultrahigh spin are investigated within the supersymmetry scheme including many-body interactions and possessing the SO（5） （or SU（5）） symmetry on the rotational symmetry. Quantitatively good results of the 7-ray energies and the dynamical moments of inertia in the rotation bands in ^157 Er and ^158 Er at ultrahigh spin are obtained. We theoretically predict that the competition between the anti-pairing and pairing effects may exist in ^157 Er（1,2） and ^158Et（2） bands states. In ^158Er（1） band state, the favourepairing effects may exist and the SO（5） （or SU（5）） symmetry play a dominant role. There may be sphere coexisting with headecupole deformed in ^158Et（1） rotation band state.     

Structural transformation from shish‐kebab crystals to micro‐fibrils through hot stretching process of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution

Structural evolution of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution via hot stretching process was investigated by in situ small‐angle X‐ray scattering, in situ wide‐angle X‐ray diffraction measurements, scanning electron microscopy, and differential scanning calorimetry. With the increase of stretching strain, the long period continuously increases at relative lower stretching temperature, while it first increases and then decreases rapidly at relative higher stretching temperature. The kebab thickness almost keeps constant during the whole hot‐stretching process and the kebab diameter continually decreases for all stretching temperatures. Moreover, the length of shish decreases slightly and the shish quantity increases although there is almost no change in the diameter of shish crystals during the hot stretching process. The degree of crystal orientation at different temperatures is as high as above 0.9 during the whole stretching process. These results indicate that the shish‐kebab crystals in ultra‐high molecular weight polyethylene fibers can transform continuously into the micro‐fibril structure composed mostly of shish crystals through the hot stretching process. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56, 225–238     

120 nm Bandwidth Erbium-doped Fiber Amplifier

A new dual band erbium-doped fiber amplifier configuration that provides 120 nm of optical bandwidth is simulated. This configuration employs a split-band architecture in which optical signals are splitted using a 1550/1610 nm port filter into two independent sub-bands which then pass in parallel through separate branches of the optical amplifier. Each branch may be optimized for the sub-band that traverses it. The independent sub-bands are combined and flattened before output, resulting in a 120 nm bandwidth gain-flattened optical amplifier.     

热塑料板膜工艺与热塑料教具

热塑料板膜工艺是用热成型方法制作单件塑料教具和塑料配件的一种技术，它为无塑料制品生产能力的大、中院校物理、化学、生物实验室在研制教学仪器或做仿真制品时提供可行的石膏——锡模方法．教师采用该工艺，可在无现成模具和无注塑设备的条件下生产塑料教具，并可为计算机虚拟教学，提供实体模型．     

Origin of the 330 nm absorption band and effect of doping Yb in LiYF4 crystals

The electronic structures of LiYF₄ (YLF) crystals containing F color center (YLF-F) and Yb doped YLF crystals (Yb³⁺:YLF, Yb²⁺:YLF) are systematically studied within the framework of the density functional theory. The calculated results indicate that the 330 nm absorption band originates from the F center in YLF crystals. Thus the doping of Yb³⁺ can weaken the 330 nm absorption band by competing with F vacancies in capturing free electrons arising after γ-irradiation and change to Yb². By analyzing the lattice relaxation and the electronic structure of YLF containing Yb²⁺, we can reasonably believe that once Yb²⁺ is formed in YLF crystal, its compensating hole will turn out to be shared by two F⁻ nearest to Yb²⁺ forming a diatomic fluoride molecular ion () perturbed by Yb²⁺, or to say V_F color center. According to the molecular-orbital linear combination of atomic orbital (MO-LCAOs) theory, compared to the alkali halides, e.g. LiF, the in V_F center in LiYF₄ peaks at about 340 nm, which is in agreement with the experimental results.     

二氧化铬阴离子光电子能谱的理论研究

凭借密度泛函理论,采用不同基组对中性分子CrO2的基态（ 3B1）以及阴离子CrO2‾的基态（ 4B 1）进行几何优化和振动频率分析;应用量化计算得到的力常数及结构和光谱参数,基于推得的两维四模Franck-Condon重叠积分的代数表示,对CrO2 ( 3B1)－CrO2‾ ( 4B1) 的光脱附过程进行Franck-Condon分析和光谱模拟,理论上得到光电子能谱的谱线相对强度及振动结构分布,理论谱与实验测得的二氧化铬阴离子光电子能谱达到一致,并对光电子能谱的振动结构进行归属及热带分析;另外,在光谱模拟过程中通过迭代Franck-Condon分析过程,推得CrO2‾（ 4B1）与CrO2（ 3B1）平衡几何结构之差：ΔR(Cr-O)= 0.05Å,Δ(O-Cr-O)=12o.     

The austenite microstructure evolution in a duplex stainless steel subjected to hot deformation

Abstract

The austenite microstructure evolution and softening processes have been studied in a 23Cr–6Ni–3Mo duplex stainless steel, comprising equal fractions of austenite and ferrite, deformed in uniaxial compression at 1000 °C using strain rates of 0.1 and 10 s^?1. The texture and microstructure evolution within austenite was similar in character for both the strain rate used. The observed large-scale subdivision of austenite grains/islands into complex-shaped deformation bands, typically separated by relatively wide transition regions, has been attributed to the complex strain fields within this phase. Organised, self-screening microband arrays were locally present within austenite and displayed a crystallographic character for a wide range of austenite orientations. The microband boundaries were aligned with the traces of {1?1?1} slip planes containing slip systems having high, although not necessarily the highest possible, Schmid factors. The slightly lower mean intercept length and higher mean misorientation obtained for the sub-boundaries at the higher strain rate can be ascribed to the expected more restricted dynamic recovery processes compared to the low strain rate case. Dynamic recrystallisation within austenite was extremely limited and mainly occurred via the strain-induced migration of the distorted original twin boundaries, followed by the formation of multiple twinning chains.     

Doping dependence of charge order in electron-doped cuprate superconductors

Abstract

In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped cuprate superconductors is investigated based on the t-J model. The experimentally observed momentum dependence of the electron quasiparticle scattering rate is qualitatively reproduced, where the scattering rate is highly anisotropic in momentum space, and is intriguingly related to the charge-order gap. Although the scattering strength appears to be weakest at the hot spots, the scattering in the antinodal region is stronger than that in the nodal region, which leads to the original electron Fermi surface is broken up into the Fermi pockets and their coexistence with the Fermi arcs located around the nodal region. In particular, this electron Fermi surface instability drives the charge-order correlation, with the charge-order wave vector that matches well with the wave vector connecting the hot spots, as the charge-order correlation in the hole-doped counterparts. However, in a striking contrast to the hole-doped case, the charge-order wave vector in the electron-doped side increases in magnitude with the electron doping. The theory also shows the existence of a quantitative link between the single-electron fermiology and the collective response of the electron density.     

Schrödinger operators on periodic discrete graphs

We consider Schrödinger operators with periodic potentials on periodic discrete graphs. The spectrum of the Schrödinger operator consists of an absolutely continuous part (a union of a finite number of non-degenerated bands) plus a finite number of flat bands, i.e., eigenvalues of infinite multiplicity. We obtain estimates of the Lebesgue measure of the spectrum in terms of geometric parameters of the graph and show that they become identities for some class of graphs. Moreover, we obtain stability estimates and show the existence and positions of large number of flat bands for specific graphs. The proof is based on the Floquet theory and the precise representation of fiber Schrödinger operators, constructed in the paper.