铟(Ⅲ)-向红菲啰啉络合物的吸附伏安法研究

运用1 5次微分伏安法 ,常规溶出伏安法及循环伏安法研究了铟(Ⅲ) -向红菲啉络合物在汞电极上的电化学行为 ,讨论了络合物的形成机理及条件 ,建立了测试痕量铟的新方法 ,运用该法对样品中痕量铟进行了测试 ,结果令人满意。     

硅烷功能化石墨烯/硅树脂纳米复合材料的制备与表征

先用乙烯基三甲氧基硅烷(A-171)和二甲肼改性并还原氧化石墨烯(GO),制备A-171功能化的石墨烯(FG).研究结果表明A-171与GO上的羟基发生了反应,以共价键连接到了石墨烯的表面;FG能在四氢呋喃中均匀分散并且剥离成厚度约为0.9 nm的单一片层,其干燥后表面呈褶皱状.然后将FG与双组分硅树脂用溶液共混法制备了FG/硅树脂纳米复合材料.运用X射线衍射、扫描电子显微镜、动态热机械分析、拉伸试验等手段分析了复合材料的形态与性能,结果表明,与未处理过的石墨烯相比,FG在复合材料中有更好的分散和更强的界面作用.含0.5 wt%FG的复合材料的拉伸强度较硅树脂提高了87.7%,玻璃化温度提高了23.9℃,失重5%时的温度也提高了20.1℃.     

C_nAl_m~+(n=1～12,m=1,2)团簇几何结构特征与稳定性的量子化学研究

采用密度泛函理论(DFT)的B3LYP方法,在6-311++G**水平上对CnAlm+(n=1～12,m=1,2)团簇的几何和电子结构进行了理论计算,讨论了混合团簇的结构与成键特征,以及振动频率与电荷转移.结果表明,CnAl+团簇的基态结构分别为Al原子与Cn链端基配位形成的直线或折线状结构,以及Al原子与Cn环上1个C原子端位相连或打开Cn环与2个C原子相连形成的环状结构;分子总的平均键长随着n的增大逐渐趋于定值0.138nm.CnAl+2团簇基态结构可以看作是两个较小的Cn/2Al+分子碎片通过端位C原子相互结合形成CcoreAlshell的直线或顺式与反式折线状结构;分子总的平均键长随着n的增大逐渐趋于定值0.141nm.通过对基态结构的能量分析,得到了CnAl+和CnAl+2团簇的稳定性信息.     

固载离子液体刷/过氧磷钨酸盐催化剂催化H2O2选择性氧化硫醚

以二氧化硅为载体,合成了一种新型的双层离子液体刷固载过氧磷钨酸盐催化剂.采用元素分析、IR和SEM-EDAX等手段对催化剂进行了表征.室温下,考察了该催化剂催化30％(质量分数)H2O2溶液选择性氧化硫醚为亚砜或砜的催化性能.结果表明,该催化剂具有很高的催化活性和选择性.采用1.1倍H2O2时,反应选择性地生成亚砜,仅...     

选区激光熔化及热处理工艺对钴铬合金力学性能的影响

系统研究了选区激光熔化（SLM）及热处理工艺对钴铬合金组织与性能的影响。通过设计正交实验,利用EOS M290选区激光熔化设备,优化钴铬合金成型的工艺参数;利用XRD、扫描电镜（SEM）、硬度仪及万能材料试验机对选区激光熔化钴铬合金的显微组织结构、物相组成及力学性能进行观察与测试。研究结果表明,选区激光熔化成型的最佳工艺参数为:扫描间距0.08 mm,扫描速度1110 mm/s,激光功率335 W,能量密度4.8 J/mm2,获得的致密度高达99.18%,且最佳的填充角度为67。SLM成型的钴铬合金的物相主要由相及少量相共存,微观组织由细小均匀的胞状晶及柱状晶构成;其硬度、抗拉强度及延伸率分别为41.0HRC,1032 MPa,10%,断裂机制主要为穿晶脆性断裂。热处理后显微组织发生相变,主要为相及少量相,并产生少量强化相M23C6(M=Cr,Mo,W);其硬度、抗拉强度及延伸率分别提升了6.1%,35.9%和17.6%,断裂机制主要为准解理断裂。     

纳米多晶铜中冲击波阵面的分子动力学研究

冲击波阵面反映材料在冲击压缩下的弹塑性变形行为以及屈服强度、应变率条件等宏观量, 还与冲击压缩后的强度变化联系. 本文使用分子动力学方法, 模拟研究了冲击压缩下纳米多晶铜中的动态塑性变形过程, 考察了冲击波阵面和弹塑性机理对晶界存在的依赖, 并与纳米多晶铝的冲击压缩进行了比较. 研究发现: 相比晶界对纳米多晶铝的贡献而言, 纳米多晶铜中晶界对冲击波阵面宽度的影响较小; 并且其塑性变形机理主要以不全位错的发射和传播为主, 很少观察到全位错和形变孪晶的出现. 模拟还发现纳米多晶铜的冲击波阵面宽度随着冲击应力的增加而减小, 并得到了冲击波阵面宽度与冲击应力之间的定量反比关系, 该定量关系与他人纳米多晶铜模拟结果相近, 而与粗晶铜的冲击压缩实验结果相差较大.     

Al_2S_n~±(n=2—10)团簇结构特征和稳定性的密度泛函理论研究

采用密度泛函理论的B3LYP方法,在6-311G**水平上对Al2S±n(n=2—10)团簇的几何结构和电子结构进行了理论计算.讨论了铝硫二元离子混合团簇基态结构的变化规律、电荷转移和成键特征.结果表明,在S簇中掺杂Al原子会使Sn结构发生明显改变.Al2S±n团簇基态结构是以Al2S2四元环为骨架或桥梁,分别与S原子或S簇相结合形成单环到三环的平面和立体结构.结构中化学键键型和成键数目影响团簇的稳定性.通过对基态结构的解离能和能量二次差分值的分析得到了Al2S±n团簇的稳定性信息.     

固体吸附剂对CO_2的高压吸附性能研究

在高压吸附仪上研究了硅胶、MCM-41、13X、SBA-15四种固体吸附剂对CO_2的高压吸附性能,考察了温度、压力、结构性质和吸附热对吸附剂吸附量的影响.结果表明,高压下四种吸附剂对CO_2的吸附均属于物理吸附,且随着压力增大吸附剂的吸附性能增强。吸附量的大小变化分为两个阶段,不同阶段影响吸附量的因素不同。四种固体吸附剂的高压吸附实验表明,理想吸附剂的选择需要从吸附量、对温度的敏感性以及孔径大小和分布等综合考虑.     

质子数Z 分别位于Ru 之上和之下的A~(100~126) 丰中子原子核三轴形变在原子核形状变迁和共存中的重要作用(英文)

基于Ru (Z = 44) 丰中子同位素中存在最大三轴形变的理论预言和实验证据,综述了近年来Rh (Z = 45),Pd (Z =46), Ag (Z =47), Cd (Z =48)(质子数Z 位于Ru,Z =44 之上)及Zr (Z =40), Nb (Z =41), Mo (Z =42),Tc (Z =43)(质子数Z 位于Ru,Z =44 之下) 的A~ (100~126) 丰中子同位素中关于三轴形变的形状变迁和形状共存系统性研究的重要进展。252Cf 自发裂变瞬发 射线-- 三重符合、特别是新建立的--- 四重符合数据的系统观测和研究,在Ru, Pd, Cd 和Nb 丰中子同位素中显著扩展或首次观测到了一系列能带,为这个核区原子核形状的研究提供了新的、重要的实验数据。联系此前报道的有关进展,使用PES, TRS, PSM, CCCSM 和SCTAC 理论模型计算拟合新的实验数据,在该核区沿同中素和同位素链,并随自旋和激发能变化各自由度,跟踪原子核形状渐进变化,获得了新的系统性研究成果,显著扩展和深化了人们对原子核形状变迁和形状共存的认知。对于Ru 及其上的Rh (Z = 45), Pd (Z = 46), Ag (Z = 47) 和Cd (Z = 48) 丰中子同位素的研究表明:Rh 丰中子核具有比最大值稍小的三轴形变,γ = 28°,并在103{106Rh 同位素链上鉴别出了手征对称破缺;在三轴形变核112Ru和114Pd(N = 68)中发现了三轴原子核的摆动运动,该摆动运动也可能在114Ru (N = 70)中存在;观察到了从具有最大三轴形变的110,112Ru 中手征破缺到稍小三轴形变的112,114,116Pd 中扰动的手征破缺的过渡;在较软的Ag 核中观察到了丰富的谱学结构,在104,105Ag 中鉴别出了可能的手征对称破缺,在较重的115,117Ag 中提出了趋于三轴形变的软度;具有小形变的Cd核的能级结构被解释为准粒子耦合、准转动和软三轴形变;最近的库伦激发的研究提供了Z = 50, N = 82满壳附近122,124,126Cd 核中出现核集体性的实验和理论证据;上述研究成果展现出从Ru中的最大三轴形变(γ=30°,三轴形变极小增益为0.67 MeV), 经具有大三轴形变的Rh核γ=28°),到Pd核中的稍小、但稳定于中等自旋到高自旋区的三轴形变(γ~41°,三轴形变极小增益为0.32 MeV),再经Ag核中的软度,最后到具有很小形变、但仍出现集体性质、包括软三轴形变的Cd核的过渡。对于Pd核转动带交叉系统性的研究揭示了其第一带交叉(νh_11/2)2 中子转动顺排的上行驱动,和第二带交叉(πg_9/2)2质子转动顺排的下行驱动效应,成功地解释了114Pd 中的三轴摆动运动,并给出了110-118Pd同位素链中理论早已预言、而比早期理论预言更为完整准确的形状渐进变迁和形状共存的图像。根据该核区的系统研究,发现最大三轴形变出现在112Ru,而在相邻的偶Z(Pd)同位素链,三轴形变极小的中心在114Pd, 两者均为N = 68。上述系统性研究沿相邻的Ru和Pd偶Z同位素链,在N =68同中素中鉴别出最大三轴形变,均比理论预言的108Ru 和110Pd 多4个中子。在Z值位于Ru (Z = 44) 之下的Zr (Z = 40), Nb (Z = 41), Mo (Z = 42) and Tc (Z = 43) 丰中子同位素中,Y和Zr核具有很强的轴对称四极形变,而在较重的Zr同位素中出现了自由度;较重的Nb核(A = 104~106) 基态具有中等程度的软三轴形变和强四极形变,随着自旋和激发能的增加,过渡到接近于轴对称的强四极形变;而较轻的Nb核(A≤103) 基态均接近轴对称形状;在Nb同位素链上基态由球形到强四极形变的形状突变发生在100Nb(N = 59),在100-106Nb同位素链中基态的软三轴形变随中子数增加而增加;在Nb核中还观察到关于软三轴形变的形状共存;Mo核具有大的三轴形变,观察到了振动和手征对称破缺;Tc核具有比最大值稍小的三轴形变,γ=26°,并观察到了手征对称破缺。质子数Z从41到48的A~(100~126)丰中子同位素,特别是Pd和Nb 同位素,呈现出关于三轴形变的过渡特征。This paper reviews the systematic investigations and understanding for the shape transitions and coexistence with regard to triaxial deformations in A s 100 to 126 neutron-rich Rh (Z = 45), Pd (Z = 46), Ag (Z = 47), Cd (Z = 48) and Zr (Z = 40), Nb (Z = 41), Mo (Z = 42), Tc (Z = 43) isotopes with Z beyond and below Ru (Z = 44), respectively, in Ru the maximal triaxial deformation having been predicted and deduced. The recent measurements and studies of prompt triple- and four-fold, γ-γ-γ and γ-γ-γ-γ, coincidence data from the spontaneous fission of 252Cf using Gammasphere have yielded considerable expansion and extension or first observation of the bands in Ru, Pd, Cd, and Nb isotopes,which provided important data for the studies of nuclear shapes in this region. Combined with previous investigations, recent systematic studies of the new data well reproduced by PES, TRS, PSM, CCCSM and SCTAC model calculations have traced shape changes along the isotonic and isotopic chains, respectively,and with changing excitations/spins as well, significantly expanding our knowledge of shape transitions/coexistence in nuclei.For the neutron-rich Ru and beyond, Rh, Pd, Ag and Cd isotopes, triaxial deformations γ= 28°,slightly smaller than the maximal value, were deduced in Rh (Z = 45) isotopes, with chiral symmetry breaking proposed in 103-106Rh; onset of wobbling motions were identified in 112Ru and 114Pd (N =68),and probably also in 114Ru (N =70); evolution from chiral symmetry breaking in 110,112Ru with maximal triaxial deformations to disturbed chirality in 112,114,116Pd with less pronounced triaxial deformations was proposed; rich nuclear structure was proposed in soft Ag isotopes with possible chiral doubling structure suggested in 104,105Ag, and softness towards triaxial deformation proposed in heavier 115,117Ag;quasi-particle couplings, quasi-rotations and soft triaxiality were suggested in Cd (Z =48) isotopes with small deformations; onset of collectivity was recently suggested in 122,124,126Cd in the vicinity of Z =50 and N = 82 closed shells by studies of Coulomb excitations; shape evolutions from maximal triaxial deformations in Ru (γ=30°, with triaxial minimum energy gain of 0.67 MeV), through Rh with large triaxial deformations ( γ=28°), to less pronounced triaxiality in Pd (with triaxial minimum energy gain of 0.32 MeV), then soft triaxiality in Ag, and finally to slightly deformed Cd isotopes but with emergence of collectivity and soft triaxiality were proposed. The systematic studies of the band crossings in Pd revealed up-rising drivings of the first band crossings caused by (νh_11/2)2 and down-sloping drivings of the second band crossings by (πg_9/2)2, explained the onset of wobbling motions in 114Pd,and showed a long-sought picture of shape evolution and coexistence in the Pd isotopic chain which is more complete but complex than earlier predictions. Based on the systematic studies in the mass region,maximal triaxial deformation is found to be reached in 112Ru and less-pronounced triaxiality centered at 114Pd, both for N =68, four neutrons more than predicted in earlier theoretical calculations.In the neutron-rich Zr (Z =40), Nb (Z =41), Mo (Z =42) and Tc (Z =43) isotopes with Z just below Ru, large quadrupole deformations of axially symmetric shapes were deduced in Y and Zr isotopes, with emergence of the degree of freedom having been suggested for heavier Zr isotopes; medium triaxial deformations were deduced for the ground states of heavier (A > 104) Nb isotopes, and, with increasing excitations and spins, evolution from medium triaxial deformations with strong quadrupole deformations at ground states to nearly axially-symmetric shapes were deduced; light Nb isotopes (A6103) have near axially-symmetric shapes with strong quadrupole deformations; combining with the identification of onset of strong quadrupole deformation at 100Nb in the Nb isotopic chain, an increase of soft triaxiality with increasing neutron number was proposed in 100-106Nb. Shape coexistence with regard to soft triaxiality is also proposed in Nb isotopes; large triaxial deformations, vibrations and chiral doublets were proposed in Mo isotopes; chiral doubling and large triaxial deformations (γ ~26°) slightly smaller than the maximal triaxiality were suggested in Tc isotopes.The neutron-rich nuclei with Z ranging from 41 through 48 and A ~100 to 126, especially the Pd and Nb isotopes are thus found to be transitional nuclei with regard to triaxiality.     

A BOUNDARY-ELEMENT METHOD FOR NONLINEAR SLAMMING

The nonlinear condition of water-surface is considered，and by virtue of the boundary element method，the slamming problem is treated as an impact／contact model，where the impactor and water are regarded as a coupling system．The gradually iterative method is used to make that water-surface satisfies the nonlinear condition untill it achives a steady value．For solving of the slamming force，the gradually iterative approach connected with the free water-surface is used to calculate the steady value．Two-dimensional rigid cylinder slamming problems are analysed numerically．The results show the reliability and effectiveness for solving the fluid-structure impact problems with serious nonlinearities．