有机锡化合物掺杂聚乙烯基甲苯基塑料闪烁体的制备、光学和闪烁性能EI北大核心CSCD

传统的塑料闪烁体由于其低有效原子序数和密度,不适用于能谱探测领域。有机重金属化合物掺杂塑料闪烁体的制备为塑料闪烁体实现能谱探测提供了一种有效途径。而有机锡化合物掺杂塑料闪烁体具有高光峰灵敏度,并保留了塑料闪烁体的快衰减特性。本文通过自由基聚合的方法成功制备了不同浓度2-(三丁基锡烷基)呋喃掺杂的聚乙烯基甲苯(PVT)基塑料闪烁体,并对其光学和闪烁性能进行了测试和比较。其中掺杂20%2-(三丁基锡烷基)呋喃的PVT基塑料闪烁体的透光率可达90%,X射线激发发射光谱主峰位于425 nm处,光产额为6700 ph/MeV,能量分辨率为15.8%@662 keV,衰减时间约为4.3 ns。我们也制备了1英寸直径、掺杂20%2-(三丁基锡烷基)呋喃的塑料闪烁体,具有6300 ph/MeV的光产额和15.8%@662 keV的能量分辨率。     

氙(Xe)原子在铂(Pt)表面吸附与脱附的分子动力论方法研究

运用分子动力论方法研究单原子气体分子(Xe)在固壁表面(Pt)的吸附与脱附。在构造了合理的气体分子与固壁表面相互作用势模型之后,运用随机经典轨道方法求解气体分子及固壁原子的运动方程,得到气体分子的运动轨迹及状态。结果表明,气体分子在固壁表面的吸附几率与分子的入射平动能量、壁面温度及气-固相互作用势模型的选取等因素有关,气体分子在固壁表面的脱附速率基本满足Arrhenius关系式。     

气体-表面相互作用的分子动力学模拟研究

采用分子动力学模拟方法研究了气体分子Ar在光滑和粗糙Pt表面上的散射规律.提出了一种速度抽样方法,计算了不同温度条件下气体分子对光滑和粗糙表面的切向动量适应系数和吸附概率.结果显示：光滑表面条件下,气体分子的切向动量系数和吸附概率都随着温度的升高而降低;粗糙度对气体分子切向动量与表面的适应具有极大的促进作用,当粗糙度足够大时,切向动量适应系数的大小趋近于1.0,对温度的敏感性也逐渐降低.采用粒子束方法对气体分子在光滑和粗糙表面上的散射规律进行了定量分析.总结了散射过程中气体分子的典型轨迹和动量变化规律,将气体分子在光滑表面的散射分为两种类型：单次碰撞后散射和多次碰撞后散射.单次碰撞后散射的气体分子平均切向动量有所减小,而经过多次碰撞后散射的气体分子则倾向于保持原有的平均切向动量.对于粗糙表面,粗糙度的存在使气体分子与表面间的动量和能量适应更加充分,导致气体分子在较粗糙表面上散射后的平均切向动量大幅减小并接近于0,且气体分子在表面上经历的碰撞次数越多,其散射后的能量损失越严重.     

气体分子在石墨表面的吸附与扩散特性

采用分子动力学方法模拟研究气体分子在石墨表面上的吸附和扩散特性,结果表明气体分子在石墨表面上的吸附强度跟石墨中碳原子和气体分子之间的微观作用力密切相关,不同分子在石墨表面上的吸附强度不同。气体分子在石墨表面上的吸附特性符合Langmuir等温吸附模型,压力越高吸附层内分子的密度越高。通过分子的表面扩散系数随着压力的增加而降低的现象以及特定时间内分子运动距离的正常概率分布,发现石墨表面上分子的扩散主要由分子之间的碰撞控制,趋近于体相扩散。分子在石墨表面吸附层内的密度对表面扩散系数的影响非常显著,导致吸附性强的CO_2和H_2S分子扩散系数要明显低于吸附性弱的CH_4和N_2分子.     

Al原子在Ni基衬底表面的扩散及团簇的形成

Ni Al纳米颗粒具有较高的能量密度和良好的高温力学性能,铝吸附原子在不同镍基表面上的扩散行为与不同扩散机制对铝在镍基表面沉积生长的影响有待进一步阐明.本文通过采用肘弹性带和分子动力学结合嵌入原子势的方法,系统地研究了单个铝吸附原子在镍基表面的扩散行为和纳米颗粒团簇在十面体(DEC)、立方八面体(CUB)和二十面体(ICO)结构上的生长.研究结果表明:Al吸附原子在三种Ni基底上表面扩散的交换与跳跃两种机制,最低的Ehrlich-Schwoebel(ES)势垒为0.38 e V (交换CUB{111}→100})、0.52 e V (交换DEC{111}→100})和0.52 e V (跳跃ICO{111}→111}),从{111}面扩散到{100}面主要以交换机制为主,而相邻两个{111}面之间的扩散则以跳跃机制为主.沉积的铝原子首先倾向于扩散到台阶边缘和顶点附近.随着Al原子数量的增加,沉积的Al原子开始聚集.对于Ni团簇上的Al原子,在较低温度下在镍基底表面沉积Al原子,可以获得良好的Ni核/Al壳结构.对于二十面体结构基底,其对应的核壳团簇的缺陷数最小,随后为十面体结构和八面体结构.随着生长温度的增加Ni Al纳米粒子的表面逐渐开始合金化.     

惰性气体黏度的剩余熵标度模型

黏度是能源、动力、化工等系统设计分析中常用的重要物性参数.本文探讨了5种惰性气体(He、Ne、Ar、Kr、Xe)气相和超临界黏度的计算,以实际气体与同温度稀薄气体的黏度之比作为无量纲对比黏度,发现5种惰性气体的无量纲对比黏度与剩余熵之间满足同一单值函数关系,据此建立了惰性气体的气相和超临界黏度模型,其中稀薄气体黏度关联式借助气体动理论建立,剩余熵由Soave-Redlich-Kwong (SRK)状态方程计算.对比了183~2150 K、380 MPa以内的1819个实验数据,模型计算偏差小于1.5%的数据点占89%,偏差较大的数据点主要分布于10 MPa以上的高压区域,最大偏差为4.4%.本文模型可用于实验数据缺乏区域惰性气体黏度性质的准确预估。     

Preparation and Unimolecular-Micellization Behavior of Homopolymer of Surface-Active Monomer AMC14AB

采用水溶液均聚合方法,制备了阳离子型表面活性单体(2-丙烯酰胺基)乙基十四烷基二甲基溴化铵(AMC14AB)的均聚物,使用荧光探针法、表面张力测定及电导测定法,重点考察了均聚物P(AMC14AB)在水溶液中的胶束化行为与表面吸附现象. 在水溶液中,均聚物P(AMC14AB)呈现单分子链胶束的聚集形态,具有零临界胶束浓度,从开始加入P(AMC14AB)起,水溶液中随即产生单分子链胶束,不存在Krafft温度. P(AMC14AB)在溶液表面也发生表面吸附,使水的表面张力下降,即P(AMC14AB)也具有表面活性;随着浓度增大,表面吸附量增大,水的表面张力持续下降;当表面吸附达饱和时,表面张力～浓度曲线上出现突变点,该点定义为饱和的表面吸附浓度,而不应该再称为临界胶束浓度. P(AMC14AB)单分子链胶束溶液对疏水有机物(甲苯)的增溶情况,明显不同于普通小分子表面活性剂十六烷基溴化铵(CTAB)的多分子胶束溶液,甲苯增溶量～P(AMC14AB)浓度的关系曲线上无突变点,而且对甲苯的增溶能力高于CTAB的多分子胶束溶液.     

ITO负载单原子钇吸附NO和CO的第一性原理研究

基于密度泛函理论，对氧化铟锡(Indium Tin Oxide,ITO)表面负载单原子Y模型的表面性能进行了第一性原理计算.根据表面能计算结果可知，单原子Y最稳定负载位置为空位(H)，即确定了ITO负载单原子钇(Single-atom Y supported on ITO,Y/ITO)稳定模型.对ITO和Y/ITO表面吸附气体分子(NO和CO)模型的吸附性能进行了第一性原理计算.根据对比ITO和Y/ITO表面的吸附能和态密度计算结果可知，单原子钇负载提高了ITO表面的稳定性和吸附性能.根据对比Y/ITO表面吸附NO和CO气体分子的吸附能和态密度计算结果可知，NO和CO气体分子吸附均为自发行为，过程放热.且NO气体分子更容易吸附在Y/ITO表面，即Y/ITO对NO气体分子更敏感.     

二维材料WTe_2用于气体传感器的性能研究

二维过渡金属硫族化合物由于具有大的比表面积、高的载流子迁移率以及快速响应等特性,在高性能气体传感器应用方面具有显著优势.本文通过密度泛函理论计算,研究了CO,CO_2,NH_3,NO,NO_2气体分子在单层WTe_2表面的吸附构型、吸附能、电荷转移、电学及磁学特性.结果表明,N基气体分子的吸附能小于C基气体分子的吸附能,说明WTe_2对N基气体分子的吸附更敏感.电荷分析结果表明,NH_3气体分子吸附在WTe_2表面时表现为给电子体,而其他四种气体分子都表现为得电子体.能带结构方面,与CO,CO_2,NH_3气体分子相比,磁性气体分子NO和NO_2的吸附在费米能级附近引入了杂质能带,杂质能带主要来源于O原子和N原子的p轨道.此外,NO和NO_2气体分子分别诱导了0.99μB和0.80μB的磁矩.本文的研究结果为实验上制备基于WTe_2的超灵敏气体传感器提供理论指导.     

ST-401薄塑料闪烁体中子能量响应测量技术研究

利用中国原子能科学研究院核工业放射性计量测试中心的5SDH-2串列加速器进行了ST-401薄塑料闪烁体的能量响应实验.选用T(p,n)³He反应和D(d,n)³He反应作为中子源，子源，中子束流采用复合屏蔽体进行准直，源强采用正比计数管和半导体望远镜进行监测，实验测量了厚度从0.16mm到2.00mm的八种规格薄闪烁体的能量响应曲线，对实验的结果的不确定度进行了分析.结果表明探测器的灵敏度随着晶体厚度的增加而增加，对于一定厚度的薄闪烁体，随着中子能量的增加，探测器的能量响应曲线坡度不大. 关键词： 塑料闪烁体 能量响应 正比计数器 半导体反冲质子望远镜     

Emission from impurity molecular centres in binary solutions of inert crystals

The structure of impurity excitations in solid binary solutions XeKr, XeAr, KrAr has been studied using the luminescence vacuum u.v. spectroscopy. Emission from biatomic heteronuclear molecules of inert elements was separated. The existence of two excited states of heteronuclear molecules of different atomic configurations is predicted. The pair potential of inert element interaction in the excited and ground states are analysed and force constants found. The peculiarities of the heteronuclear molecule formation as a function of concentration and temperature for solid binary solutions of inert gases have been discussed.     

一种惰性气体回收器的研制

文中介绍了一种从空气中针对惰性气体氪和氙的回收纯化装置。包括回收纯化惰性气体氪和氙的方法选择、原理、流程介绍及设计计算,并根据原理流程及设计计算进行了设计选型和结构设计。     

Spectroscopic diagnostics of barrier discharge plasmas in mixtures of zinc diiodide with inert gases

The spectral characteristics of the emission of gas discharge atmospheric pressure plasmas in mixtures of zinc diiodide vapor with inert gases (He, Ne, Ar, Kr, and Xe) are investigated. The formation of a gas discharge plasma and the excitation of the components of a working mixture were performed in a high-frequency (with a repetition frequency of sinusoidal voltage pulses of 100 kHz) barrier discharge. The gas discharge emission was analyzed in the spectral range 200–900 nm with a resolution of 0.05 nm. Emission bands of ZnI(B-X) exciplex molecules and I₂* excimer molecules, lines of inert gases, and emission bands of XeI* exciplex molecules (in Xe-containing mixtures) were revealed. It is ascertained that the strongest emission of ZnI* molecules is observed in ZnI₂/He(Ne) mixtures. The regularities in the spectral characteristics of the gas discharge plasma emission are considered.     

页岩气在粗糙纳米孔中吸附和输运的分子模拟

从微观上理解固气表面的吸附和注气驱替原理，有助于完善页岩气开采理论.本文通过运用蒙特卡洛和分子动力学方法，模拟了甲烷在粗糙壁面结构孔隙中的吸附和流动行为.研究结果显示粗糙结构对甲烷的吸附量有显著影响，压力小于20 MPa时，粗糙模型中的吸附量更大.注气驱替时，粗糙模型中二氧化碳的突破时间和甲烷的采收率，相比光滑壁面模型明显增加.这是由于粗糙结构模型的页岩壁面表面积更大，在低压下气体吸附能力更强.矩形粗糙结构页岩模型的选择吸附性强于三角粗糙结构模型和光滑模型.研究阐明了甲烷吸附和驱替的微观机理，为提高页岩气采收率提供了指导.     

Investigation of electron-beam-excited molecular gas lasers

Physical processes are investigated in active media of high-pressure gas lasers operating on electronic transitions of molecules. Lasing was obtained in the VUV ( = 172 nm) region of the spectrum by exciting compressed xenon and an Ar:Xe mixture. The effect of the temperature and pressure on the kinetics of the processes in the active laser media Ar:N₂, Xe:0₂, and Ar:Kr:F₂ are investigated. A new class of excimers, consisting of one halide and two inert atoms, is observed for the first time ever, and the temperature dependence of the spontaneous and laser emissions of XrF* is investigated; this dependence is due to the redistribution of the energy drawn from the electron beam among the excimers KrF^* and Kr2^F*.Translated from Trudy Ordena Lenina Fizicheskogo Instituta im. P. N. Lebedeva, Vol. 142, pp. 172–202, 1983.     

Independent yields of Kr and Xe isotopes in the photofission of heavy nuclei

The yields of Kr (A = 87–93) and Xe (A = 138–143) primary fission fragments produced in ²³²Th, ²³⁸U, and ²⁴⁴Pu photofission upon the scission of a target nucleus and neutron emission were measured in an experiment with bremsstrahlung from electrons accelerated to 25 MeV by a microtron, and the results of these measurements are presented. The experimental procedure used involved the transportation of fragments that escaped from the target by a gas flow through a capillary and the condensation of Kr and Xe inert gases in a cryostat at liquid-nitrogen temperature. The fragments of all other elements were retained with a filter at the capillary inlet. The isotopes of Kr and Xe were identified by the γ spectra of their daughter products. The mass-number distributions of the independent yields of Kr and Xe isotopes are obtained and compared with similar data on fission induced by thermal and fast neutrons; the shifts of the fragment charges with respect to the undistorted charge distribution are determined. Prospects for using photofission fragments in studying the structure of highly neutron-rich nuclei are discussed.     

Two dimensional band-gap restricted diffusion of negatively charged excitons in rare gas solids

We present measurements of electron stimulated desorption (ESD) yields of D⁻, obtained from sub-monolayer amounts of C₂D₆ physisorbed on rare gas substrates; the latter consisting of alternating layers of Xe and Kr adsorbed at 20 K on Pt. Negatively charged excitons (NCE), for example, Xe*⁻ or Kr*⁻, which are produced by electron impact, may couple to dissociative anion states of C₂D₆, resulting in sharp resonance enhancements in the D⁻ ESD yields. Our measurements suggest that resonant diffusion of the Xe NCEs can be restricted to a single Xe layer, by placing a Kr multilayer spacer between the Xe and the metal substrate. This is attributed to the 1.85 eV insulating band-gap difference at the Xe---Kr interface.     

Current characteristics of barrier discharges in inert gases (Ar,Kr, Xe)

The current characteristics of barrier discharges in inert gases (Xe, Kr, and Ar) are compared. It is shown that the shape of the current curve (the number of peaks and their amplitudes) depends on the kind of gas (breakdown voltage) and the frequency of the sinusoidal supply voltage; as the frequency of the voltage decreases, the number of breakdowns tends to increase. It is found that, under the experimental conditions (P = 300 Torr, d = 4 mm), the amplitude of the discharge current in Xe is two to three times higher, its time is tenfold shorter, and the diameter of the discharge channel is five to ten times smaller compared to other inert gases. These differences can be explained by a considerable difference of the transfer coefficients in Xe from those in Ar and Kr.     

Independent yields of Kr and Xe fragments in the photofission of <Superscript>237</Superscript>Np and <Superscript>243</Superscript>Am odd nuclei

Results are presented that were obtained by measuring the independent yields of Kr (A = 89–93) and Xe (A = 135–142) appearing as fragments in the photofission of ²³⁷Np and ²⁴³Am odd nuclei. The respective experiments were performed in a beam of bremsstrahlung photons from electrons accelerated to an energy of 25 MeV at the microtron of the Laboratory of Nuclear Reactions at the Joint Institute for Nuclear Research (JINR, Dubna). Use was made of the procedure involving the transportation of fragments emitted from the target by a gas flow along a capillary and the condensation of inert gases in a cryostat at liquid-nitrogen temperature. The identification of Kr and Xe appearing as fragments was performed by the gamma spectra of their daughter products. The mass-number distributions of the independent yields of Kr and Xe isotopes were obtained, along with those for the complementary fragments (Y and La in the fission of ²³⁷Np and Nb and Pr in the fission of ²⁴³Am).