用有限元自适网格控制结构应力分析的精度

本文涉及有限元结构应务分析精度控制的三个基本方面：１）自适应的有限元网格自动生成技术；２）有限元应力分析的误差估计：３）用单元尺寸场将误差分布用于形成新网格。     

稀土高氯酸盐-缬氨酸配合物[Sm2(L-α-Val)4(H2O)8](ClO4)6的低温热容和热化学研究

以高氯酸钐和缬氨酸为原料在蒸馏水中合成了一种稀土高氯酸盐-缬氨酸配合物[Sm2(L-α-Val)4(H2O)8](ClO4)6.利用TC/DTG、化学和元素分析、FTIR等技术表征了配合物的结构,确定其组成为:[Sm2(L-αVal)4(H2O)8](ClO4)6.用精密绝热量热仪测量了它在78～371 K 温区的热容,用最小二乘法将该温区的热容对温度进行拟合,得到了热容随温度变化的多项式方程.用此方程进行数值积分,得到每隔5 K的舒平热容值和相对于298.15 K的热力学函数值.根据TG/DTG结果,推测了该配合物的热分解机理.另外,依据Hess定律,通过设计合理的热化学循环,利用等温环境溶解-反应热量计分别测量量热反应的反应物和产物在所选溶剂中的溶解焓,从而确定反应的反应焓为:△rHθm=(24.83:±0.85)kJ·mol-1.最后,利用反应的反应焓和其它反应物和产物已知的热力学数据计算出配合物的标准摩尔生成焓为:-(8010.01±3.90)kJ·mol-1.     

水合六硼酸钡的合成与热化学研究

硼原子的硼酸盐种类繁多,结构复杂多样,其中,有一些硼酸盐具有特殊的性能,如:2ZnO·3B_2O_3·3.5H_2O、2CaO·3B_2O_3·5H_2O可用作阻燃材料~([1]),β-BaB_2O_4(β-BBO)~([2])、Ba_2Be_2B_2O_7~([3])、BaAl_2 B_2O7_~([4])等因其具有良好的光学性质,被广泛用作非线性光学材料.因此,进行硼酸盐的合成及性质研究有着重要的意义.     

DFT Study on the Correlation between Thermodynamical Property and Molecular Structure of Polybromo-phenoxathiin

Complete optimization was conducted for 136 polybromo-phenoxathiin congeners(PBPTs) on the B3LYP/6-31G* level with Gaussian 03 program.The structural parameters and thermodynamical parameters of each molecule were obtained under the standard state of 298.15 K and 1.013×105 Pa.Reverse linear regression was employed to establish the quantitative structure-property correlation models between heat capacity at constant volume(CVθ),entropy(Sθ),standard heat of formation(△fHθ) and standard free energy of formation(△fGθ) of PBPTs and the structural parameters(the most negative atomic charge(q-) and molecular average polarizability(α)).These models presented better correlations(r20.97).And they were validated by variance inflation factor(VIF) and t-test,which can better explain the regularity of thermodynamical property of PBPTs,and has good stability and great prediction ability.     

20Hz～10kHz光纤水听器相移灵敏度校准

利用相位生成载波解调技术精确测量光纤水听器的光相移量,在20 Hz～10 kHz频率范围实现了光纤水听器探头相移灵敏度的校准.20 Hz～1.25 kHz频段采用驻波管比较法进行校准,1.25 kHz～10 kHz频段采用自由场脉冲比较法进行校准.利用本文建立的校准系统,对TMD 35#光纤水听器的相移灵敏度进行校准,...     

Phase-only hologram generation based on integral imaging and its enhancement in depth resolution

We introduce a phase-only hologram generation method based on an integral imaging,and propose an enhancement method in representable depth interval.The computational integral imaging reconstruction method is modified based on optical flow to obtain depth-slice images for the focused objects only.A phaseonly hologram for multiple plane images is generated using the iterative Fresnel transform algorithm.In addition,a division method in hologram plane is proposed for enhancement in the representable minimum depth interval.     

N9H9链状异构体的结构与稳定性的理论研究

采用密度泛函理论(DFT)B3LYP方法,在6-311＋＋G**基组水平上对N9H9可能存在的链状构型进行了几何优化,得到46种稳定链状异构体。应用自然键轨道理论NBO和分子中的原子理论AIM分析了这些化合物的成键特征和相对稳定性,G3MP2方法计算了各异构体的精确能量及在298K时的生成热ΔfHө(298K),并计算了由Peter Politzer等人所介绍的相对比冲量。研究结果表明：各异构体中N原子孤对电子与N＝N形成了p→π共轭作用是影响双键相邻的N－N键长变化的主要原因,并且对异构体的稳定性起着重要作用。所有异构体中N＝N位于链端的稳定性较差,其中B9最稳定, B6稳定性最差;C5是所有异构体中生成热最大的,也是相对比冲量最大的。     

∧c^＊ in a coupled-channel baryon-meson scattering

Possible structures and properties of some excited states of Λ_c⁺ dynamically generated in the coupled-channel P-wave meson-baryon scattering are studied by solving the Bethe-Salpeter(BS) equation in the framework of the Chiral Unitary Approach. It is shown that both Λ_c⁺(2765) and Λ_c⁺(2940) could be generated dynamically and could be compound states with multi-configuration molecular-like structures. The couplings of the generated states to various reaction channels are also calculated. Moreover, two highly excited states, Λ_c⁺(3024) and Λ_c⁺(3134), are predicted.     

基于弱相干态光源的非正交编码被动诱骗态量子密钥分配

基于改造的弱相干态光源,提出了一种非正交编码被动诱骗态量子密钥分配方案.该方案不主动制备诱骗态,而是根据发送端探测器是否响应,将接收端的探测结果分为响应集合和未响应集合,以此分别作为信号态和诱骗态,并利用这两个集合来估计参量和生成密钥.数值仿真表明,非正交编码被动诱骗态方案的密钥生成效率和安全传输距离都优于现有的被动诱骗态方案,且性能非常接近主动无穷诱骗态方案的理论极限值;未响应集合对密钥生成的参与使方案性能免受发送端探测效率的影响,弥补了实际探测器探测效率低下的缺陷;由于不需要主动制备诱骗态,该方案实现非常简单,适用于高速量子密钥分配的场合. 关键词： 量子光学 量子密钥分配 被动诱骗态 密钥生成效率