含色心BaMgF4晶体电子结构的研究

运用相对论性的密度泛函离散变分法(DV-X)研究BaMgF4晶体中F型色心的电子结构.计算中采用冻结原子核的H原子模拟F心,在DV-Xα源程序增加H原子2p态,使F心激发态的计算结果在物理上更加合理.计算结果表明,F心的基态和激发态均出现在禁带中;并用过渡态的方法计算得到F心的电子从基态到激发态的光学跃迁能量为5.12eV,对应242nm处的吸收带,计算结果与实验结果吻合得很好,因此,推测F心在BaMgF4晶体中引起236～274 nm的吸收.     

Wn C0,±(n=1,…,6)团簇结构与电子性质的理论研究

利用密度泛函理论(DFT)中的杂化密度泛函B3LYP在Lanl2dz基组水平上对WnC0.±(n=1,…,6)团簇的各种可能构型进行几何结构优化,得出它们的基态构型,并对基态构型的稳定性和电子性质进行理论研究.结果表明,当n＞3时,稳定构型从平面转变成立体结构,同时C原子趋向于表面最稳定;C原子的掺入使得Wn团簇的稳定...     

大庆油田和南阳油田采出水的分析

采用高压消解罐法消解处理样品,对大庆油田和南阳油田几个驱块的采出水样品进行了全离子分析.用ICP-AES测定了其中Na、K、Ca、Mg、Al、Ba、Sr、Mn、Si元素的含量.方法回收率在95.00%-106.00%,相对标准偏差小于2.15%.采用离子色谱测定了各驱采出水中Cl<'->、SO<,4><'2->含量,方...     

弯管和文丘里管组合燃烧器的颗粒分布特性

本文给出一种弯管和文丘里管组合结构的新型浓淡煤粉燃烧器,并分别对弯管、文丘里管和这种弯管和文丘里管组合结构燃烧器内的气固两相流动进行了数值模拟。采用Euler-Lagrange方法和离散相模型（DPM）研究气固两相流动,气相湍流采用分离涡（DES）模拟方法,固相湍流采用离散随机游动（DRW）模型。结果表明,这三种结构对...     

大分离条件下风力机叶片三维定常数值模拟研究

为了改善失速条件下风力机气动特性的CFD模拟精度,采用定常的RANS求解方法和一方程S-A湍流模型,数值模拟定桨距型风轮叶片LM19在高风速(18m/s)条件下的气动特性.首先讨论了由流动大尺度分离导致计算收敛曲线大幅度振荡时数值结果的处理方法,然后分析了计算域尺度和网格密度对数值模拟结果的影响,为失速条件下风力机气动...     

基于DES方法的平板孤立冷却孔数值模拟研究

本文运用DES(Detached-Eddy Simulation)分离涡方法,对吹风比为0.51和1.04的平板孤立直圆孔和弯圆孔下游的换热特性和漩涡结构进行了数值研究,并简要分析了下游涡量场的结构。模拟结果显示,预测的壁面温度场的趋势与实验值吻合较好;与RANS方法相比,DES方法得到了更加丰富的流场细节和旋涡结构,同时再现了冷却孔下游具有流场的间歇性,对进一步理解和研究冷却孔下游流场内的旋涡结构提供了参考。     

A Monte Carlo study for the shielding of γ backgrounds induced by radionuclides for CDEX

The CDEX (China Dark matter EXperiment) Collaboration will carry out a direct search for WIMPs (Weakly Interacting Massive Particles) using an Ultra-Low Energy Threshold High Purity Germanium (ULE-HPGe) detector at the CJPL (China JinPing deep underground Laboratory). A complex shielding system was designed to reduce backgrounds and a detailed GEANT4 Monte Carlo simulation was performed to study the achievable reduction of γ rays induced by radionuclides and neutron backgrounds by D(γ,n)p reaction. Furthermore, the upper level of allowed radiopurity of shielding materials was estimated under the constraint of the expected goal. Compared with the radiopurity reported by other low-background rare-event experiments, it indicates that the shielding used in the CDEX can be made out of materials with obtainable radiopurity.     

A study of the active thermal control for the high energy detector on the HXMT

A thermal control system (TCS) based on the resistance heating method is designed for the High Energy Detector (HED) on the Hard X-ray Modulation Telescope (HXMT). The ground-based experiments of the active thermal control for the HED with the TCS are performed in the ambient temperature range from -15 to 20 ℃ by utilizing the pulse width to monitor the interior temperature of a NaI(Tl) crystal. Experimental results show that the NaI(Tl) crystal's interior temperature is from 17.4 to 21.7 ℃ when the temperature of the PMT shell is controlled within (20±3) ℃ with the TCS in the interesting temperature range, and the energy resolution of the HED is maintained at 16.2% @ 122 keV, only a little worse than that of 16.0% obtained at 20 ℃. The average power consumption of the TCS for the HED with a low-emissivity shell is about 4.3 W, which is consistent with the simulation.