Phonon Dispersion and Thermodynamics Properties of CaF2 via Shell Model Molecular Dynamics Simulations

The phonon and thermodynamics properties of face-centered cubic CaF2 at high pressure and high temperature are investigated by using the shell model interatomic pair potential within General Utility Lattice Program （GULP）. The phonon dispersion curves and the corresponding density of state （PDOS） in this work are consistent with the experimental data and other theoretical results. The transverse optical （TO） and longitudinal optical （LO） mode splitting as well as heat capacity at constant volume Cv and entropy S versus pressure and temperature are also obtained.     

METHANE OXIDATIVE COUPLING ON ThO_2/CaF_2CATALYST

The oxidative coupling of methane(OCM)over ThO_2/CaF_2 catalystwas investigated.The catalyst was found to be active and selective for OCMreaction.At 1153 K,the C_2~ yield was 19.9% with 61.7% C_2~ selectivityand 32.1% CH_4 conversion.XRD results indicated that F~-(?)O~(2-)exchangehappened between ThO_2 and CaF_2 phases.XPS and Raman results suggestedthat the active oxygen species were generated and suitable for OCM reactionover the catalyst.     

新型“CaF2(Eu)+液闪”复合WIMP探测器的实验研究

介绍北京组新近提出的“CaF2 (Eu) +液闪”复合WIMP探测器的设计特点 .通过对探测器单元内部光收集效率的研究 ,初步确定了复合探测器的设计结构 .另外 ,对探测器内部放射性杂质衰变在复合探测器单元中形成的本底情况进行模拟 ,结果表明了复合探测器具有良好的排除本底的能力 .     

透明SiO2-Al2O3-CaO-CaF2 微晶玻璃中Tb3+的发光性能研究

通过对1.0 mol;Tb2O3掺杂45SiO2-20Al2O3-10CaO-25CaF2玻璃进行热处理制备出透明微晶玻璃,经XRD分析微晶玻璃内析出了大小约为27 nm 的CaF2颗粒.并分别在紫外和X射线激发下研究了Tb3+在基质玻璃和透明微晶玻璃中的发光行为.结果表明:微晶玻璃中CaF2纳米晶颗粒的析出有利于提高Tb3+的发光性能,紫外激发时,Tb3+的545 nm特征发光强度增强了4倍;而X射线激发时,Tb3+的545 nm特征发光强度增加了3.5倍.     

氟化钙单晶炉温场的计算机模拟及改进

对氟化钙晶体生长炉的顶部保温、加热器和下保温装置进行了改进研究.结合数值模拟,对改进前后晶体的轴向温度梯度、径向温度梯度和固液界面附近温度分布进行了对比分析.模拟结果表明,改进了顶部保温后增加了晶体炉内的辐射传热,有效降低了温度梯度,减小了晶体内热应力从而避免了晶体开裂;对加热器和底部保温进行改进后,减少了坩埚底部的热损失,相同温度时降低了加热功率.     

激光窗口热效应对光束发散角的影响

以DF激光器CaF_2输出窗口为例计算了三种输出功率(10~3W,10~4W,10~5W)情况下,窗口材料的温升、波阵面畸变及对光束发散角的影响。计算中窗口直径为40mm,厚度为10mm,光束直径为20mm。     

非化学计量金属间化合物DO3型Fe3Al热力学性质

用以CaF2单晶为固体电解质的电池电动势(EMF)法测定了720～850 K温度区间内(－)Pt|Ir|Al_0.85Sn_0.15,Na₃AlF₆|CaF₂|Al_xFe_1－x(x=0.23～0.33),Na₃AlF₆|Ir|Pt(＋)电池电动势,通过DO₃型Fe₃Al的粉末化以及选用富Al合金Al_0.85Sn_0.15作为参比电极,使电池反应较快地达到热力学平衡,EMF测量前后工作电极的X射线衍射分析证明没有化学变化发生.计算了DO₃型Fe₃Al非化学计量金属间化合物均相范围内组元Al的活度及Al的偏摩尔热力学函数ΔG_Al、ΔH_Al、ΔS_Al ,基于Gibbs-Duhem方程计算了DO₃型Fe₃Al中另一组元Fe的活度和偏摩尔Gibbs自由能.计算了750 K时DO₃型Fe₃Al相中Al的扩散热力学因子,在化学计量比成分(xAl=0.25)附近Fe₃Al相中Al扩散的热力学因子达到最大值.     

LD泵浦Nd-La共掺和Nd-Sc共掺CaF_2无序晶体的激光性能

对790nm激光二极管泵浦Nd-La共掺和Nd-Sc共掺CaF_2无序晶体激光器的特性进行了研究,比较了掺杂不同浓度La~(3+)和Sc~(3+)的Nd∶CaF_2晶体的吸收光谱和输出激光特性.在5 W泵浦功率下,将0.5at.%Nd~(3+)与5at.%La~(3+)∶CaF_2,0.5at.%Nd~(3+)与3at.%Sc~(3+)∶CaF_2掺杂,分别获得1.10W和0.64 W的连续激光输出,斜效率分别为23.0%和12.8%,阈值泵浦功率仅为10mW.实验结果表明,Nd-La共掺和Nd-Sc共掺的CaF_2晶体是一种可用于二极管泵浦且可获得高功率高效率激光输出的激光介质.     

基于CaF2靶样的加速器质谱测量生物样品中41Ca的方法研究

为满足⁴¹Ca生物示踪样品测量的需要, 在北京HI-13串列加速器质谱(Accelerator Mass Spectrometry, AMS)系统上建立了以CaF₂为靶样的⁴¹Ca AMS分析方法.生物样品和⁴¹Ca标准样品经过化学分离和纯化, 制备成CaF₂作为靶物质. AMS测量⁴¹Ca时, 离子源引出CaF₃-负离子, 膜剥离后的电荷态选择为7⁺态, 加速器端电压选定为8.5MV, 用充有140mbar P10气体的多阳极电离室探测⁴¹Ca. 结果显示探测器可实现对⁴¹Ca与同量异位素干扰⁴¹K的分辨, 粒子谱中⁴¹K的计数率很低,对⁴¹Ca不形成干扰. 对制备的4个标准样品(⁴¹Ca/⁴⁰Ca在1.785×10^－8—1.750×10^－10范围)的测量结果显示⁴¹Ca/⁴⁰Ca绝对测量值与标称值之间的线性关系良好(r²=0.997),经⁴¹Ca/⁴⁰Ca为1.785×10^－8的标准样品归一化后, S2, S4两个标样的测量值与标称值吻合较好, 但标样S3的测量值与标称值有较大偏离. 估计生物样品的⁴¹Ca/⁴⁰Ca本底值低于8.2×10^－13.     

Observation of triangular terraces and triangular craters of CaF2 film on Si(1 1 1) substrate

We have investigated the growth mode and surface morphology of CaF₂ film on Si(1 1 1)7×7 substrate by reflection high-energy electron diffraction (RHEED) using very weak electron beam and atomic force microscopy (AFM). It was found by RHEED intensity oscillation measurements and AFM observations that three-dimensional (3D) islands grow at RT; however, rather flat surface appears with two-dimensional (2D) islands around 300 °C. Especially, at high temperature of 700 °C, characteristic equilateral triangular terraces (or islands) with flat and wide shape grow with the tops directed toward [1 1 −2] of substrate Si(1 1 1). On the other hand, the desorption process of the CaF₂ film due to electron stimulated desorption (ESD) was also examined. It was found that the ESD process at 300 °C forms characteristic equilateral triangular craters on the film surface with the tops (or corners) directed toward [−1 −1 2] of substrate Si(1 1 1), provided that the film was grown at 700 °C.