(W+B_4C)/Al复合材料中子屏蔽性能的蒙特卡罗模拟

使用MCNP5程序模拟了能量为14.88 Me V的快中子在(W+B_4C)/Al和W/Al复合材料中的输运过程,并与铅硼聚乙烯、聚乙烯以及钨进行对比。计算了各屏蔽材料的中子衰减性能、中子透射能谱以及中子俘获过程中释放γ射线的透射能谱,为中子屏蔽材料的选择提供了理论依据。模拟结果和实际结果吻合,证实了蒙特卡罗方法的可靠性。模拟结果也可以得出,对于快中子,高原子序数材料的屏蔽效果要好于低原子序数材料,含钨45%的复合材料的屏蔽性能与商用铅硼聚乙烯的屏蔽效能相近,但是激发γ射线能量低于铅硼聚乙烯,考虑到成分可调控性、使用温度以及力学性能等因素,(W+B_4C)/Al复合材料是一种极具应用潜力的新型中子屏蔽材料。     

中国先进研究堆瞬发γ元素成像技术研究

无损分析样品内部的元素分布,对于材料、考古、地质科学等领域的研究具有重要意义。本文基于瞬发γ活化分析方法,结合中子照相技术,分析了模拟样品的结构和对称性,首次利用中国先进研究堆(CARR)水平孔道聚焦的微束中子束流,开展了样品瞬发γ扫描分析和材料内部元素分布研究。通过蒙特卡罗软件(MCNP)对样品元素分布实验模型进行分析,模拟结果获得了样品不同区域的元素分布,基本实现了元素空间分辨。MCNP计算结果表明在瞬发γ扫描分析中,优化准直几何参数和提高中子通量能进一步提高元素空间分辨和元素测量准确度。     

差值算法在γ能谱峰面积计算中的应用

野外多道γ能谱仪在计算γ能谱峰面积时,左右边界道址取整数往往产生较大的计算误差,引入拉格朗日插值法对非整数道的道址进行插值,能有效减低这种误差。实验表明,对1024道的NaI（Tl）γ能谱仪,计数率最大校正值可达1.08 cps,测量误差则可降低10.61％。     

助剂对WN_x/TiO_2-γ-Al_2O_3催化剂物化性质及加氢脱硫性能影响

在H2和N2混合气中,采用程序升温还原氮化反应的方法,合成了分别含有助剂Ni,Co,P或V的WNx/TiO2-γ-Al2O3催化剂.通过低温氮物理吸附、氨程序升温脱附、TG-DTA和X光电子能谱技术对所合成的催化剂进行了表征.实验结果表明,4种助剂的引入分别使WNx/TiO2-γ-Al2O3催化剂前驱体更易于还原氮化以...     

过渡金属化合物的CNDO计算IV——络合物M(CO)_4~(n-)和 M(N_2)_4~(n-)的电子结构

本文对 CNDO(sp-d)方案作了新的改进,改进的要点是把过渡金属原子基函数区分成 s、p、d 三类轨道,据此选择了相应的参数.在 TQ-16机上已实现ALGOL 语言程序.文中报导了 M(CO)_4~(n-)和 M(N_2)_4~(n-)(M=Ni,Co,Fe)电子结构的计算结果,讨论了各 MO 的组成,并结合计算的 Mulliken 和 Wiberg 键序数值讨论了络离子的γ_(MC)及γ_(CO)规律.基于计算的分子轨道能级对 Ni(CO)_4的光电子能谱进行了指定.     

聚-γ-巯丙基硅氧烷羰基铑催化剂结构的XPS研究

<正> 本文报道聚-γ-巯丙基硅氧烷羰基铑催化剂结构上的研究结果。与以往作者报道的不同。这里的X-射线光电子能谱(XPS)实验结果证实这一新合成的催化剂是属于置换反应所导致的化合物型结构。同时定域在本文所研究的化合物分子中Rh离子和S离子上的Pauling计算电荷进一步支持作者的XPS试验结果。     

CoMoSx/γ-Al2O3催化剂在还原脱硫中的吸附性能和催化活性

以等体积浸渍法与原位还原硫化法相结合制备了CoMoS_x/γ-Al_2O_3催化剂。采用X射线衍射(XRD)、扫面电子显微镜/能谱(SEM/EDS)、X射线光电子能谱(XPS)、程序升温脱附/程序升温还原/程序升温表面反应-质谱分析(TPD/TPR/TPSR-MS)对催化剂进行了表征,系统地研究了CoMoS_x/γ-Al_2O_3催化剂的结构、表面CO和SO_2的吸附-脱附行为及其表面反应特性。采用微型固定床反应器评价了CoMoS_x/γ-Al_2O_3催化剂的催化特性。研究表明,CoMoS_x/γ-Al_2O_3催化剂由γ-Al_2O_3和高分散的Co-Mo-S组成,预硫化过程中不会出现CoS_2和Co_9S_8等硫化物。γ-Al_2O_3几乎不会吸附CO,CoMoS_x对CO具有强吸附作用;而γ-Al_2O_3和CoMoS_x都可以吸附SO_2,但γ-Al_2O_3的吸附作用较弱,CoMoS_x的吸附作用较强。在γ-Al_2O_3上会吸附微量的COS,而CoMoS_x不会吸附COS。在SO_2与CO的表面反应中,吸附在CoMoS_x上的SO_2会与CO发生反应,而吸附在γ-Al_2O_3上的SO_2不会发生反应。在400℃时,SO_2的转化率和硫单质的选择性都接近100%。     

大学实验教学中数据处理系统的开发和应用*

借助专业软件开发数据处理系统逐渐取代了传统的人工计算过程。以“化学海洋学实验”课程的数据自动处理为研究案例,介绍了数据处理系统的开发和应用过程。该系统的计算程序用R语言编写,用Java语言实现可视化,可以用实验数据快速得到最终结果并监测实验中间环节,简化了计算程序。教师可以及时检查学生实验数据的可靠性和准确性,有效地提高了教学效率。     

显色剂性能的量子化学方法(PPP法)研究

编制了适于有机显色剂电子结构与光谱性能研究的PPP法计算程序。用此程序计算了吡啶偶氮显色剂系列,并对部分显色剂进行实验,结果发现计算与实验的长波吸收波长有较好的一致性。     

NaP4及其正负离子的结构和光谱性质

用密度泛函理论(DFT)分析了NaP4及其正负离子的低级电子态的平衡结构、振动频率、能量、原子化能、绝热电子亲合能、绝热离子势等, 并与实验所得的阴离子光电子能谱进行比较. 根据计算结果与实验所得的激发能进行比较, 对NaP-4的阴离子光电子能谱中的峰进行了合理的归属.     

Monte Carlo simulation of Cu,Ni and Fe grade determination in borehole by PGNAA technique

A prompt gamma neutron activation analysis borehole logging method for copper, nickel and iron grade estimation is proposed. The performance of the method was simulated by MCNP5 code. Based on the theory of neutron–gamma distribution on the borehole condition, the BGO scintillator and ³He neutron tube are adopted to record gamma ray spectrum and thermal neutron simultaneously, and least square method is used for the characteristic gamma ray counts calculation in the high energy range. The results of detection limit of metal grade in borehole condition indicate that the effectiveness of this logging method.     

Remarks on detecting high-energy deuterium–tritium fusion gamma rays using a gas Cherenkov detector

As fusion ignition conditions are approached using the national ignition facility (NIF), independent high-bandwidth gamma-ray fusion burn measurements become essential complements to information obtained from neutron diagnostics. The 16.75-MeV gamma rays that accompany deuterium–tritium (d+t) fusion can be detected using a high-bandwidth gaseous carbon dioxide Cherenkov threshold detector. The detection energy threshold was set by the CO₂ gas pressure. A 1-GHz detector system was fielded successfully at the Omega laser facility, demonstrating unambiguous detection of high-energy fusion gamma rays from high-yield d+t implosions. An experiment to detect the ∼12.5 MeV d–t fusion gamma ray is described.     

Neutron conversion efficiency and gamma interference with gadolinium

Gadolinium (Gd) neutron capture plays an important role in both Gd neutron capture therapy and neutron detection. Detailed information about the low-energy electron spectrum emitted after Gd neutron capture is essential for accurately determining the dose delivery to the target and healthy tissues, as well as the effectiveness of Gd against other neutron convertors such as boron (B) and lithium (Li). Owing to issues such as charge extraction associated with the low energy of internal conversion electrons (ICEs) and high gamma interaction of Gd, its competitiveness for certain applications remains debatable. We measured the ICE spectrum of Gd, compared the energy deposition rates of neutron capture products from Gd, B, and Li compounds, and discussed issues associated with gamma sensitivity of Gd.     

聚苯乙烯闪烁微球的制备及其在β核素测量中的应用

采用悬浮聚合法和溶胀法制备了聚苯乙烯闪烁微球(PSm),通过对闪烁剂和移波剂用量的研究,确定了PSm合成的最佳比例.使用PSm对不同能量的β核素进行了测量,结果表明:PSm对β核素的探测效率与其衰变能成正相关.对于90Sr/90Y的测量,PSm的探测效率与闪烁液接近;PSm对14C的探测效率约为39.5％,但对低能β核...     

Bismuth radionuclides in the natural background gamma radiation spectrum

The natural background gamma (NBG) spectrum was accumulated inside the laboratory, with 102.88 cm³ Ge(Li) detector, to investigate bismuth natural radionuclides in the energy range of 500–1700 keV. The relative intensities of identified²¹⁴Bi gamma lines were obtained from the spectrum. The results were in good agreement with that obtained from a source of a precise strength. Out of the 25 gamma lines of²¹⁴Bi, 19 lines were established including 6 lines observed for the first time in the NBG spectrum. Most of the gamma lines of²¹¹Bi and²¹²Bi were observed. Some of these lines are new.     

Gamma spectrum analysis for in situ automatic monitoring of radioactivity in seawater

The NaI(Tl) detector has been an important research topic and application in the field of in situ marine radioactive automatic monitoring because of its advantages of low power consumption, low cost, and good efficiency. However, its energy resolution is not high enough. This paper investigated an analytical method: spectrum de-noising, background correction based on the SNIP operator, peak search based on the top-hat transform and peak fitting using Gaussian distribution. Simulation and gamma spectra measured from seawater showed that the established energy spectrum analysis method presents satisfactory automatic analytical ability for identification and quantitatively analysis.

     

高灵敏度纳喷雾正交飞行时间质谱法

研制了纳喷雾离子化技术与正交飞行时间质谱的联用接口,在电场力的作用下 ,样品流速约为30nL/min,40nmol/L细胞色素c溶液的单张图谱样品消耗量为0. 02amol、检测限约为0.8～1.2zmol.由于纳喷雾离子化技术的离子化机理与常规离 子化方法有所不同,由母液滴裂解成能被直接检测的液滴的步骤少,因此能增加检 测的灵敏度,特别适合于分析多糖类分子。通过分析SBE-β-CD获得了较满意的结 果。另外还分别对agiotensin I进行了源内CID实验和对细胞色素c的胰酶酶解图谱 进行分析,对所有酶解的多肽混合物离子作了归属。证明纳喷雾技术是一种高灵敏 度,且适合于分析复杂基质环境及微量样品的技术。     

First approach to radionuclide mixtures quantification by using plastic scintillators. Influence of the diameter of the plastic beads

Recent studies have evaluated the capability of plastic scintillation (PS) as an alternative to liquid scintillation (LS) in radionuclide activity determination without mixed waste production. In order to complete the comparison, we now assess the extent to which PS can be used to quantify mixtures of radionuclides and the influence of the diameter of the plastic scintillation beads in detection efficiency.

The results show that the detection efficiency decreases and the spectrum shrink to lower energies when the size of the plastic scintillation beads increases, and that the lower the energy of the beta particle, the greater the variation takes place. Similar behaviour has been observed for beta–gamma and alpha emitters.

Two scenarios for the quantification of mixtures are considered, one including two radionuclides (¹⁴C and ⁶⁰Co) whose spectra do not overlap significantly, and the other including two radionuclides (¹³⁷Cs and ⁹⁰Sr/⁹⁰Y), where the spectra of one the isotopes is totally overlapped by the other The calculation has been performed by using the conventional window selection procedure and a new approach in which the selected windows correspond to those with lower quantification errors. Relative errors obtained using the proposed approach (less than 10%) are lower than those of the conventional procedure, even when a radionuclide is completely overlapped, except for those samples with extreme activity ratios that were not included in the window optimization process.     

A multichannel electron energy loss spectrometer for low-temperature condensed films

We describe a wide-gap multichannel cylindrical deflection electron energy analyzer suitable for measuring the weak signals characteristic of electronically inelastic electron energy loss spectra. The analyzer has nearly ideal fringing field termination, and its resolution and energy dispersion were characterized as a function of energy by solving numerically the equation of motion of electrons in an ideal cylindrical electric field. The numerical results for the radial location of the electrons at the detector as a function of the entrance location, angle, and energy are closely approximated by a second order polynomial, and match closely with those observed. The detection efficiency of the analyzer is 100-150 times better than that of an equivalent single-channel instrument, but limited energy transmission of the zoom lens system used in our case reduced it by a factor of about 2. The performance of the new instrument was demonstrated by measuring the (3)E(1u) electronic spectrum of benzene in only 2 min and the spectrum of endo-benzotricyclo[4.2.1.0(2.5)]nonane.     

Self-calibration method for cerium-doped lanthanum bromide scintillator detector in the 0.1–2.0 MeV energy range

In recent years, the cerium-doped lanthanum bromide, LaBr₃ (Ce = 5 %) detector is increasingly playing an important role in radiation measurements because of its higher energy resolution (~3 % at 662 keV), faster luminescence decay time (~35 ns) and higher detection efficiency compared to 7.65 cm × 7.65 cm NaI(Tl) detector. Intrinsic spectra between 1,800 and 3,000 keV derived from internal radioactivity within LaBr₃(Ce) scintillators have been investigated in some literatures, and these results are confirmed by the experiments in this work. In this paper, a new method for LaBr₃(Ce) detector energy calibration from 100 to 2,000 keV is proposed using the intrinsic spectra (self-calibration) instead of the standard gamma sources. Proof-of-concept experiment results show that self-calibration can guarantee energy accuracy of better than 0.815 % and can be applied outside the laboratory. The stability and applicability of this method are also investigated systematically.