基于第一性原理的石榴石型Li7La3Zr2O12 固态电解质的设计与合成

基于密度泛函理论（DFT）的第一原理方法计算了四方相和立方相中2种不同的Li₇La₃Zr₂O₁₂（LLZO）固体电解质材料的能带结构,晶格参数,态密度和成键特性。基于理论计算结果,通过电子结构特性解释了四面体相的离子电导率低于立方相的离子电导率的原因。基于LLZO的第一性原理计算,设计了2种晶体结构的LLZO材料,并通过高温固相法制备并分析了不同烧结时间的LLZO颗粒的性能。探索了合成工艺参数对Li₇La₃Zr₂O₁₂性能的影响。立方晶Li₇La₃Zr₂O₁₂（C-LLZO）的平均晶格大小为a=b=c=1.302 246 nm,而四方Li₇La₃Zr₂O₁₂（T-LLZO）的平均晶格大小为a=b=1.313 064 nm,c=1.266 024 nm。在1000 ℃下烧结12 h的C-LLZO为纯立方相,在室温（25 ℃）下最大离子电导率为9.8×10^-5 S·cm^-1。T-LLZO在室温（25 ℃）下的离子电导率为5.96×10^-8 S·cm^-1,在800 ℃下烧结6 h具有纯的四方相结构,与计算结果基本吻合。     

分段钨丝/锆基非晶复合材料穿甲试验研究

为了研究不同结构和材料弹芯的侵彻能力,实验中采用80%体积分数、钨丝/锆基非晶复合材料(钨丝直径0.3mm)弹芯,在1450-2100m/s范围内,对不同方案的弹芯垂直侵彻均质靶板进行了实验研究。根据实验结果可以发现：(1)材料的性能和结构都可以影响弹丸的侵彻效率,突破了传统认识,为复合材料杆式穿甲弹设计提供了重要依据;(2)弹芯结构不同,其侵彻深度-着靶速度变化曲线也是不同,对于两段和三段结构弹芯其侵彻曲线变化是凸的,其侵彻深度峰值分别出现在1750m/s~1800m/s和1850m/s附近,最大侵彻穿深均为x=1.7L;对于未分段弹芯,其侵彻深度-速度变化曲线呈渐进线变化,在速度大于1850m/s时接近于流体动力学极限穿甲深度L*(r_p/r_t)_1/2,约为1.5L;(3)结合单向纤维复合材料的动态破坏特点、动态裂纹传播和弹芯高速撞击的侵蚀速度特性,给出了最优分段概念,分析了(2)中发现的问题的原因,为分段弹芯结构设计提供了参考。     

Mn1-xZnxFe2O4 (0≤x≤1)纳米粉体的模板辅助溶胶凝胶法制备及其磁性能研究

通过模板辅助溶胶-凝胶法制备了一系列的Mn_1-xZn_xFe₂O₄(0≤x≤1,步长为0.2)纳米粉体。利用XRD和VSM对材料的物相和磁性能进行了表征,主要研究了Mn_1-xZn_xFe₂O₄分子式中Zn含量的变化对样品的微观结构和磁性能的影响。实验结果表明,具有不同Zn含量的Mn_1-xZn_xFe₂O₄样品均为尖晶石结构;随着Zn含量的增加,样品的晶面间距d、平均晶粒尺寸D、饱和磁化强度M_s和居里温度T_c都呈现出下降的趋势,而样品的矫顽力H_c则呈现出先升高后降低的趋势。分析认为,M_s的下降可以用Yafet-Kittel倾角理论解释,T_c的降低归因于晶格中反铁磁性耦合的降低,而H_c的变化则主要是由于材料的磁晶各向异性常数K₁的变化引起的。     

STRAIN EFFECT ON TRANSPORT PROPERTIES OF Nb3Sn MULTIFILAMENT STRANDS PREPARED BY INTERNAL TIN ROUTE

采用Pacman弹簧装置测量了4.2 K, 12 T条件下Nb₃Sn多芯股线的I_c--ε特征曲线. 材料轴向应变变化范围在-0.9%---+0.6%. 通过偏量比例模型模拟了材料临界电流I_c随应变状态的变化规律. 研究了轴向应变条件下超导材料载流能力(I_c)的衰退和lg V--lg I曲线斜率n值的变化, 通过临界电流随轴向应变的变化规律比较了不同制备工艺Nb₃Sn股线的轴向应变敏感性.     

镁扩散制备Pr6O11掺杂的 MgB2块体临界电流密度和磁场性能研究

采用镁扩散方法制备了Pr₆O₁₁纳米颗粒添加的MgB₂超导块体,研究了Pr₆O₁₁掺杂对其临界电流密度(J_c),不可逆磁场(H_irr)和上临界磁场(H_c2)的影响。实验结果表明Pr₆O₁₁纳米颗粒掺杂明显提高了块体的J_c,H_irr和H_c2,但没有降低其超导转变温度T_c。在20 K自场条件下,质量比为1 wt.% Pr₆O₁₁掺杂的MgB₂块体的J_c较没掺杂样品提高了将近5倍, J_c=3.61×10₅A/cm₂。在10 K温度下,MgB₂块体H_c2 和H_irr较没掺杂样品分别提高了1.9 T and 2.6 T。同时讨论了Pr₆O₁₁纳米颗粒掺杂对MgB₂块体的电性能和磁通钉扎机制的影响。     

双主相混合稀土基RE-Fe-B磁体的磁性能和抗腐蚀性改进

为了实现稀土资源的平衡应用且降低RE-Fe-B稀土永磁材料的价格,针对混合稀土基永磁材料进行研究,分别采用单、双主相工艺制备了名义成分[(Pr,Nd)_1-xMM_x]_30.3(Fe,Co)_balM_0.73B_0.98 （x=0.3,0.5和0.7,质量分数）的磁体,对比研究其磁性能和抗腐蚀性。研究发现：双主相工艺制备的磁体相比单主相工艺制备的同成分磁体展现了优越的磁性能和抗腐蚀性。当x=0.5,双主相磁体的磁性能为B_r=1.308 T,H_cj=799.98 kA/m和(BH)_max=325.6436 kJ/m³,远高于同成分的单主相磁体的性能（B_r=1.297 T,H_cj=746.8868 kA/m 和(BH)_max=317.8428 kJ/m³）。这种改进源于富稀土相分布的改进以及主相晶粒间和晶粒内部耦合作用的增强。当双主相磁体暴露在湿热环境下时,磁体中不仅存在富稀土相腐蚀,也存在主相晶粒的腐蚀成粉现象,这主要是由于富稀土相与水蒸气和氧气反应时产生氢气,导致主相晶粒被氢化,由于主相晶粒间和晶粒内部的镧铈分布差异,产生大的应力,导致其表现出区别于单主相磁体的腐蚀行为。     

采用低氟溶胶-凝胶法在725℃煅烧温度下制备YBCO超导薄膜的研究

采用低氟溶胶-凝胶法在LaAlO₃(100)基板上制备了YBa₂Cu₃O_7-x (YBCO)薄膜,研究了725℃的煅烧过程中氧含量对最终所得到YBCO薄膜的临界电流密度J_c的影响。研究发现,煅烧过程中氧气含量在100-1700 ppm范围内时,所获得的YBCO薄膜均具有良好的双轴织构特征。然而,当氧气含量较小时,所获得的YBCO薄膜致密性差,J_c较低。随着氧气含量的增大,YBCO薄膜表面逐渐变得致密。当氧气含量增加到300ppm时,YBCO薄膜表面较致密,J_c值达到4.3MA/cm₂。继续增大氧含量,薄膜表面出现富铜的第二相颗粒并逐渐增多,导致薄膜J_c降低。     

B4Cp/6061Al复合材料动态再结晶临界条件

通过等温热压缩实验对25vol.% B₄C_p/6061Al复合材料的热变形行为和动态再结晶临界条件进行了研究,采用的温度范围为350℃-500℃,应变速率范围为0.001s_-1-1s_-1。应力-应变曲线显示动态再结晶是复合材料热变形过程中主要的软化机制,并利用峰值应力构建了基于Arrhenius形式的本构方程。基于加工硬化率曲线,求解了表示动态再结晶发生的临界应变与临界应力值。结果表明,临界应力与峰值应力存在线性关系：σ_c=0.8374σ_p-0.33708。此外,引入Zener-Hollomon 参数描述变形条件对临界条件的影响,得到临界应变与Z参数的关系：ε_c=2.39×10_-4Z_0.11022。最后,通过θ-ε曲线得到了复合材料完成动态再结晶时的稳态应变,并绘制了动态再结晶图。     

快淬参数对Nd9.5Fe84B6.5合金磁性能和微观结构的影响

本文采用直接快淬法制备了Nd_9.5Fe₈₄B_6.5合金,研究了腔室压力和甩带速度这两个快淬参数对其磁性能和微观结构的影响,建立了两者之间的关联性。研究发现：熔体快淬过程中在其它条件保持不变时,腔室压力和甩带速度之间存在着互相补偿的关系。腔室压力为0.03 MPa、快淬速度为19 m/s时制备的条带样品与腔室压力为0.05 MPa、快淬速度为15 m/s时制备的样品厚度和磁性能的数值相近。X 射线衍射和透射电子显微镜的结果表明：这两种条件下得到的条带样品具有相同的相组成和相似的微观结构。因此,通过调整腔室压力和甩带速度可以得到微观结构和磁性能相近的条带样品,这将为制备高性能的稀土永磁材料及其工业化生产提供指导。     

气化冲击焊飞板碰撞速度测量及影响因素分析

气化冲击焊接技术可广泛用于难以焊接成形的钛、镁和铝等有色金属材料与钢材的连接。铝箔作为气化冲击焊接过程能量转换的载体,它的工作效率对气化冲击焊接工艺起到至关重要的作用。本文分析了气化冲击焊接过程中能量转换的过程,采用光子多普勒测速系统分析了三种不同厚度的铝箔在不同能量输入条件下铝箔的工作效率和对飞板与靶板碰撞速度的影响规律。当飞板与靶板间距（碰撞角度5 °）为2.5 mm时,铝箔的气化能量是影响飞板与靶板碰撞速度的关键因素。通过碰撞速度的分析可以发现,0.051 mm铝箔在输入能量小于3 kJ时效率最高,0.076 mm铝箔在3 kJ-6 kJ效率最高, 6 kJ-12 kJ时,0.127 mm的铝箔可以获得最佳效率。     

Effect of spherically converging stress waves on the phase composition,structure, and physicochemical transformations of the mixture of aluminum and quartz powders

The phase composition and structure of a mixture of aluminum and quartz powders taken in a ratio of 1:1 have been studied after loading by spherical converging shock waves. A number of concentric layers (zones) have been observed in a meridian section of the sample after shock-wave loading. The pressures in the converging shock wave and in the diverging shock wave reflected from the center of the sample have been estimated as a function of the radial position of Lagrangian particles on the basis of the calculation of pressure profiles P(R, t). The data on the phase composition of different zones are considered in respect to the pressures induced by the converging and diverging shock waves at their boundaries. It has been established that pressures below ～45 GPa cause only additional compacting of the material and deformation of aluminum and quartz. In this case, the quartz grain size substantially decreases up to the transition into the X-ray amorphous state. The attainment of a pressure of ～45 GPa initiates the solid-state reaction of SiO₂ decomposition, which leads to the precipitation of pure silicon and the evolution of oxygen. The beginning of the silicon precipitation and the chemical reaction of Al₂O₃ formation are separated over the pressure scale. The critical pressure, which is necessary for the solid-state chemical reaction of the Al₂O₃ formation is about 50 GPa.     

Effect of oxygen impurity on long-term thermal stability of Zr-based metallic glasses below glass transition temperature

1Introduction Metallic glasses as disordered solids are thermo-dynamically metastable at the temperature below theirglass transition temperatures,Tg.Phase transformation ofdevitrification being activated by time and temperaturecan occur not only above Tg …     

激光冲击悬臂薄板变形的理论分析和实验研究

目的激光喷丸技术是一种利用激光诱导等离子体冲击波产生的力学效应来改善材料的机械性能的表面强化技术,但是在激光喷丸过程中,由于高压冲击波的作用会使薄壁件发生宏观变形,造成零件失效,为了控制激光冲击板料宏观变形过程,因此有必要对激光冲击下板料的力学变形特性进行研究。方法通过对激光冲击载荷作用下悬臂板变形过程的理论分析,建立了板料在激光冲击下的受力变形模型,对激光作用下板料的变形量公式进行了理论推导计算,研究了板料变形量与板料厚度、激光能量等之间的相互关系,并通过单点冲击与多点搭接冲击实验和有限元分析相结合的方式验证了理论公式的准确性。结果依据所建立的板料变形理论计算得到的理论值、实验值和有限元分析结果都较为接近,其中板料变形量对厚度的变化十分敏感,在设定条件下,当板材厚度大于3 mm时,板材变形很小,几乎不产生明显的变形。结论板料变形量随着激光能量和光斑数量的增大而增大,板材的厚度对变形量的影响很大,是设计激光喷丸参数时必须考虑的要素。     

Electron tunneling measurements on TSeF-TCNQ and TTF-TCNQ

Using a point contact geometry we realized tunnel junctions between single crystals of TTF-TCNQ, TSeF-TCNQ and an oxidized aluminum plate; we studied the dynamic conductance of these junctions as a function of temperature between 4.2 K and room temperature.Above the transition temperature T_c, i.e., in the metallic regime, dI/dV(V) is remarkably well fitted by a parabolic function, in agreement with theoretical considerations. Below the critical temperature, both with TTF-TCNQ and TSeF-TCNQ we observed a flattering of the dI/dV curves, and thus a clear deviation from the parabola.From the low-temperature results, a more sophisticated fit of the curves enabkes an upper limit value of the Peierls gap in these compounds to be calculated which is in good agreement with known values.     

N18锆合金氢致裂纹延迟开裂临界温度研究

研究了N18锆合金(Zr-1Sn-0.3Nb-0.3Fe-0.1Cr)发生氢致延迟开裂(DHC)临界最大开裂温度(Tc)和临界最小止裂温度(Th)随氢含量的变化规律;同时对裂纹尖端偏聚氢含量及静水应力和发生DHC的临界氢含量进行了理论分析,建立理论模型对临界温度进行理论计算.结果表明:N18合金发生氢致延迟开裂的临界温度介于相同氢含量下溶解固溶温度与析出固溶温度之间,且最大开裂温度小于最小止裂温度,计算的临界温度值与实验值相当吻合,因此该理论模型能够真实反映N18锆合金的氢致延迟开裂的物理过程.     

铝合金与不锈钢电阻点焊接合界面区的组织特性

采用热补偿工艺垫片电阻点焊法对铝合金A5052与不锈钢SUS304异种材料进行了焊接．通过电子显微镜对接合界面区进行了观察，并分析了所生成反应物的微观结构及分布等组织特性．结果表明，一锯齿状反应层在接合界面生成，其主要由Fe2Al5和FeAl3组成；反应层厚度随焊接电流以及界面上位置的变化而变化．另外，在界面附近的铝合...     

Glass formation,thermal and mechanical properties of ZrCuAlNi bulk metallic glasses

The glass forming ability, thermal and mechanical properties of some ZrCuAlNi bulk metallic glasses were analyzed. The compositions of the alloys were theoretically determined with the dense packing and kinetic fragility index models. Cylindrical and conical ingots were produced by copper mould suction-casting under Ar atmosphere. The conical ingots were characterized by means of X-ray diffraction in order to determine the glassy structure. It was found that both alloys have a critical glassy diameter, D_c, of 3 mm. Thermal behaviours were investigated by differential scanning calorimetry at heating rates of 0.5, 0.67 and 0.83 K/s. The gamma parameter γ, supercooled liquid region ΔT_x, and reduced glass transition temperature T_rg, of the experimentally obtained glasses indicated high glass forming ability. The glassy compositions showed a fragility index of ～40 GPa. The compression test of the investigated alloys was carried out at a strain rate of 0.016 s^?1, obtaining a elastic modulus of ～83 GPa, total deformation of ～5%, yield strength of 1.6 GPa and hardness of 4 GPa. It was concluded that the use of the dense packing and kinetic fragility index models helped to predict glass-forming compositions in the family alloy investigated.     

Structural behaviour of Pd40Cu30Ni10P20 metallic glass under high pressure

The structural behaviour of Pd₄₀Cu₃₀Ni₁₀P₂₀ bulk metallic glass as a function of hydrostatic pressure up to 47.4 GPa was investigated by means of in situ high energy synchrotron X-ray diffraction patterns. Monotonic changes are observed in the diffraction data without any indication of a phase transition. In real space all maxima of the atomic pair correlation function including the nearest neighbour distance are decreasing and scale with pressure. The volume as function of hydrostatic pressure is extracted from the diffraction data. For the largest hydrostatic pressure of 47.4 GPa the volume is reduced by 18%. The bulk modulus B₀ = 178 GPa was calculated from the diffraction data. The dependence of volume on pressure of Pd₄₀Cu₃₀Ni₁₀P₂₀ metallic glass can be well described by the Birch–Murnaghan equation of state.     

静压法合成金刚石的成核研究

针对静高压合成技术中片状样品的组装工艺特点,分析了在高温（约1500K)高压（约5GPa）下石墨与触媒之间的相互扩散过程和金刚石在合成腔中的成核几率。根据外界提供给石墨的能量大小,判断出纳米石墨微晶是形成金刚石晶核的基本单元。金刚石成核很可能是纳米石墨微晶转化为金刚石晶核的结构相变过程。讨论了在触媒的参与下金刚石的成核率与温度压力变化的关系,证明了压力是控制金刚石成核的有效参数,而温度不宜作为金刚石成核的控制参数。     

Thermal effects in mixtures of aluminum with polyvinyl chloride after plastic deformation under high pressure

PVC and mixtures of PVC with aluminum of different compositions were subjected to plastic deformation under a pressure of 0.5–3.0 GPa using setups of Bridgman anvil type. DSC data showed that ΔC _p in the polymer was doubled and T _c increased by 20°C. Chemical reactions occurred on the interfaces of freshly opened metal surface/polymer phase under pressure treatment in the mixtures. They were accompanied by formation of volatile and soluble products. When metal-polymer mixtures were heated under pressure after deformation, chemical reactions occurred in them starting at 40°C and reaching the maximum intensity in the temperature range of polymer transition from the vitreous to highly elastic state. Thermogravimetric studies of mixture samples of different compositions were carried out.