INAA for determination of trace elements in bottom sediments of the Selenga river basin in Mongolia

Instrumental neutron activation analysis (INAA) was used for the determination of major, minor and trace elements in samples of bottom sediments of the inflows of the Selenga river basin to assess the impact of the contamination from the industrial complex Erdenet and other industrial enterprises in Mongolia. A total of 42 elements (Na, Mg, Cl, K, Ca, Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Br, Sr, Rb, Sr, Zr, Nb, Sb, Cs, Ba, La, Ce, Nd, Sm, Eu, Tb, Dy, Tm, Hf, Ta, W, Au, Hg, Th, and U) was determined by combination of conventional and epithermal neutron activation analysis at the IBR-2 reactor, FLNP JINR, Dubna. For the first time such a large set of elements was used for characterization of the bottom sediments as accumulating media which may reflect industrial contamination of the water basin. The concentrations of heavy metals and other trace elements in the samples from three inflows of the Selenga river basin were compared with data from the previous studies. It was shown that the industrial zone of the Erdenet Mining Corporation (EMC) and gold mining zone Zaamar are the sources of strong environmental contamination. The concentrations of Cu and Sb determined in sediment samples of the River Khangal and Govil near the EMC exceed average crustal rock and soil values by factors of 50 and 15, respectively. In the area of the gold mining zone Zaamar concentrations of Au, As, and Sb exceed crustal rock and soil values by factors of 4, 25, and 6, respectively. The relatively high levels of As, V, Zn, V, and Sr in the sediments of the studied rivers are obviously due to the discharges of untreated wastewater of desalination plant, electrical power station, textile industry and mining activities as well as domestic wastewater.     

Holstein极化子能带和有效质量的温度依赖性

使用正则变换方法,考察了一维Holstein极化子能带和有效质量的温度依赖性。结果表明,对于一定的电子声子耦合强度,Holstein极化子能带宽度随温度升高而变窄,有效质量随温度升高而增大。特别是当电子声子耦合强度足够大时,极化子能带宽度在很小的温度范围内会迅速地变为零,我们认为这种情况实际上是极化子从能带状态向自陷局域态的迅速转变,这与通常的相变现象有点相类似。当电子声子耦合常数越大时,极化子有效质量随温度的升高而增加得越快。很显然,研究电子声子相互作用,对理解固体的光学和输运等性质将有重要的意义。     

指纹识别技术的发展

指纹识别技术由于具有独特的防伪性、可靠性、方便性、实时性、灵活性、可接受性、安全性和兼容性，因而可广泛应用于公安、保安、机要军事、商业等领域。本文首先对指纹识别技术的技术背景做了较为详细的介绍，包括个人识别和特征识别、指纹识别及其优点、指纹识别的发展历史、其它识别办法的限制、指纹自动识别系统的发展现状等，然后对指纹识别技术的市场前景做了综述，包括指纹锁和指纹卡的潜在应用。总之，随着市场的推动和技术的提高，指纹识别应用领域将会越来越广泛，在人们生活中的作用也会越来越重要。     

Classical theory of the octonian field

We develop a nonassociative classical theory of the octonion spinor field. We construct the Lagrange function, the field equations, the solutions, the energymomentum tensor, the spin, and the associator, which is a new quantum characteristic. We consider the interaction of the octonion spinor field with the electromagnetic field. We show that, in the case of a massless field, the energy, the spin, and the associator can be measured simultaneously, while in the case of a field with rest mass, only either spin and energy or spin and associator can be measured simultaneously.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 58–62, December, 1986.     

Bond dissociation energies in organometallic systems: substituent effects

A knowledge of the factors determining the magnitude of the bond dissociation enthalpy (BDE) is of importance to the advancement of theoretical organometallic chemistry and from the practical standpoint. The central atom and the substituents bound to it influence the BDE values; however, the interplay between the BDE and the substituent effects remains unknown. In this work, the literature data on substituent influence on the BDE of lithium, sodium, copper, silver, mercury, aluminium, gallium, silicon, germanium, tin, lead, phosphorus, antimonium, chromium, iron, cobalt, nickel, rhodium, and iridium compounds (37 series) have been analyzed, using the correlation analysis. Generally, the BDE values were first established to depend on the joint influence of the inductive, resonance, polarizability, and steric effects of substituents. The contribution of the polarizability effect ranges up to about 40%. Copyright © 2014 John Wiley & Sons, Ltd.     

无回热混合制冷剂循环(MRC)液化天然气流程的系统模拟

针对混合制冷循环液化天然气流程的热力学研究进行流程的系统模拟。系统介绍了第一个多股换热器前高低压制冷剂之间不进行回热的典型混合制冷循环液化天然气流程的计算方法;指出了进行此类流程计算时应注意的事项:针对特定的参数进行了全流程的模拟,得到了流程各节点压力、温度、焓、熵、汽液两相流量、总流量、汽液两相摩尔分率;同时得到了流程中压缩机耗功、丙烷预冷量、制冷剂流量、各换热器的换热量等表示流程性能的参数     

Magneto-electronic properties of the AA- and ABC-stacked graphites

In this study, we apply the tight-binding method to magneto-electronic properties of the AA- and ABC-stacked graphites, which are strongly dependent on the interlayer interactions, the magnetic field, and the stacking sequences. First of all, the interlayer interactions induce the significant changes in the energy dispersions, the band symmetry about the Fermi level, the overlap between valence and conduction bands, the band width, and the band-edge states or the symmetry points. Then, the magnetic field induces the Peierls phase in the Bloch functions and thus strongly affects the energy dispersions of the Landau Levels, the subband spacings, the energy width, and the special structures in density of states (DOS). Finally, the stacking sequences dominates over the low-energy band overlap and the anisotropy of energy bands. The effects mentioned above are exactly reflected in the density of state. Here, DOS exhibits the 3D, 2D, and 1D characteristics.     

Use of homogeneous neuron-like media for image processing

A homogeneous neuron-like medium with close nonlocal coupling between the positive center and the negative surroundings is used for image processing. The input image is transformed into a stationary structure dependent on the form of the coupling function and the type of the element's response to external action. Using the idea of plausible activity structures, we can determine the model parameters needed to extract the features of the medium such as the contour, the lines of definite direction, the ends of lines, the central axes of the image, the negative, the points of intersection of lines, the texture boundaries, and the objects of definite scale as well as the parameters that permit reconstruction of broken lines, smoothing of lines, automatic determination of image scales, and binarization of the initial image by a medium with a tunable coupling function.Institute of Applied Physics, Russian Academy of Sciences, Nizhny Novgorod. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 37, No. 8, pp. 1053–1061, August, 1994.     

X射线荧光光谱结合判别分析识别铁矿石产地及品牌：应用拓展

铁矿石是钢铁工业的重要原材料,我国是铁矿石进口需求型国家,是世界铁矿石消费第一大国。海关对进口铁矿石检验的主要目标是预防进口铁矿石中涉及安全、卫生、环保、欺诈等方面的风险。对进口铁矿石产地及品牌进行符合性验证,可以快速筛选掺杂、掺假、以次充好,支撑进口铁矿石的风险管理,保障贸易便利化。在前期研究基础上进行应用拓展,研究对象为澳大利亚、南非、巴西、哈萨克斯坦、印度5个国家、21个品牌的422份进口铁矿石样品。考察了波长色散-X射线荧光光谱无标样分析方法的准确度,对于测量过程中未检出的元素含量,选择了用检测限替代缺失值。对于测量过程中的异常值,使用基于剩余方差的F检验进行异常值的剔除,皮尔巴拉混合块、纽曼混合块铁矿、纽曼混合粉铁矿各有一组数据计算得出的F统计量大于F检验临界值（a=0.01）,因此将这3组数据剔除。采用逐步判别法筛选出Fe,O,Si,Ca,Al,Mn,Ti,Mg,P,Na,Cr,K,Sr,S,Zn,V,Cu,Ba,Ni,Mo,Pb共21个元素的含量作为产地识别模型的特征变量,建立四维Fisher判别模型,实现了对铁矿石产地的识别;采用逐步判别法筛选出Fe,O,Si,Ca,Al,Mn,Ti,Mg,P,Na,Cr,K,Sr,S,Zr,Zn,V,Cu,Ba,Cl,Ni,Mo和Pb共23种元素含量作为品牌识别模型的特征变量,建立二十维Fisher判别模型,实现对21种品牌铁矿石的识别。考察了特征元素对分类识别模型的贡献,并分析了误判品牌铁矿石的元素特征。总结出进口铁矿石产地及品牌判别分析模型的整体数据处理流程。     

Elemental Analysis of Tea Leaves (Camellia Sinensis) and Their Own Soils at Eastern Black Sea Region in Turkey

People consume tea brewed from the leaves of the Camellia sinensis plant for about 50 centuries. Health benefits of the tea have been investigated for about three decades. Especially green tea shows antitoxic and lots of properties with its determined ingredients. Turkey is not only the one of the best consumer and but also good producer of the tea as being 5 th producer all over the world. It grows eastern region of the Turkey and high quality tea is imported and exported. To have quality tea, grooving soils are also crucial. In the current research, Tea leaves and their own grown soils were collected from 20 stations where the most tea producer cities as Trabzon, Rize and Artvin tea fields of the eastern of Black Sea Region in Turkey. The cultivated tea and their own grown soil samples were analysed by using EDXRF Spectrometry. In the soil samples, the elements Mg, Al, Si, P, S, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, Sr, Ba, Pb on percent level and the elements Mg, Al, Si, P, Cl, K, Ca, Ti, Mn, Fe, Ni, Cu, Zn and Sr in the tea leaves were detected by using SKRAY 3600-EDXRF.and also the obtained data were evaluated with the Kriging interpolation of geostatistical method. Element content were investigated in the soil and tea samples according to the geological situations and also the relation of elemental difference between the tea and the own grown soil. Pb/Zn ratio was also anaysed in the samples.     

ICP-AES测定铜电解液中的Fe、Ni、Pb、Bi、Sb、Zn和As

利用ICP-AES分析技术,通过对样品处理、元素分析谱线、酸度等因素进行试验研究,综合确定了分析条件,对铜电解液中杂质元素（Fe、Ni、Pb、Bi、Sb、Zn、As）进行了ICP-AES测定。结果表明,ICP-AES测定铜电解液中Fe、Ni、Pb、Bi、Sb、Zn和As,可以满足铜电解生产的需要,为高纯阴极铜的生产起了指导作用。     

天然杂质对黄铁矿的电子结构及催化活性的影响

采用密度泛函理论和平面波赝势方法对含天然杂质黄铁矿的电子结构和光学性质进行了计算,并讨论了二十种天然杂质:钴、镍、砷、硒、碲、铜、金、银、钼、锌、铊、锡、钌、钯、铂、汞、镉、铋、铅和锑,对黄铁矿催化活性的影响.结果表明在过渡金属杂质中,杂质能级主要由它们的d轨道产生,而在主族金属及非金属杂质中,杂质能级主要由它们的s或p轨道产生.含铜、钼、砷、金、银或镍的黄铁矿对氧的还原的电催化能力增强.除锌、钼、钌、砷、锑、硒和碲外,其余杂质能增强黄铁矿表面俘获电子的能力,使光生电子和空穴复合的概率减小.光学性质计算表 关键词： 天然黄铁矿 杂质 电子结构 光学性质     

基于紫外光谱法和有监督模式识别技术对氯化钠、氢氧化钠和β-苯乙胺种类的鉴别

β-苯乙胺(PEA)是一种重要的有机合成中间体,在PEA生产过程中,最终的生成物中常常为含有氯化钠(NaCl)、氢氧化钠(NaOH)和PEA三者的混合物。因此,对NaCl,NaOH,PEA和混合物种类进行鉴别,有利于PEA的合成以及定性检测,需建立紫外光谱快速鉴别NaCl,NaOH,PEA和混合物种类的方法。利用紫外光谱法分别测量了NaCl,NaOH,PEA和混合物在190～400 nm范围的吸收光谱。首先,采用偏最小二乘法(PLS)提取紫外光谱的主成分信息,用少数的主成分信息取代原始变量,减少模型的复杂度。用PLS提取NaCl,NaOH和PEA在前三个主成分空间中得分向量值的分布。可知NaCl,NaOH和PEA前三个主成分累计贡献率分别是96.64%,99.44%和99.95%。因此,NaCl、NaOH和PEA的前三个主成分基本包含了大部分的光谱信息。其次,用获得的三个主成分作为输入变量,采用线性判别分析（LDA）,Sigmoid SVM,RBF-SVM,RBF-ANN,BP-ANN和人工蜂群(ABC)优化神经网络(ABC-BP-ANN)等模式识别方法对NaCl,NaOH和PEA种类进行判别,获得总的敏感性分别为95.6%,95.6%,95.9%,95.8%,96.9%和99.6%。由于NaCl和NaOH特征吸收峰很相似,主成分得分向量会出现重叠现象,导致NaCl和NaOH的种类鉴别出现误判。通过对比六种分类方法,可知ABC-BP-ANN效果最优,BP-ANN次之,RBF-SVM和RBF-ANN结果相似,但比BP-ANN稍差,LDA和Sigmoid-SVM效果最差。最后,配制7种不同摩尔分数的混合物(混合物摩尔分数是指PEA物质的量占混合物总物质的量百分比),浓度范围为0%mol·L-1～60%mol·L-1,然后采用RBF-SVM,BP-ANN和ABC-BP-ANN三种方法对混合物种类进行判别。从敏感性和特异性结果可以得知,ABC-BP-ANN分类效果最好,BP-ANN次之,RBF-SVM分类效果最差, 由混合物得到的结果与单组分的结果相一致。结果表明,紫外光谱结合ABC-BP-ANN模式识别方法可以成功区分NaCl,NaOH,PEA和混合物的种类。该方法可作为一种简便、快速、可靠的方法用于NaCl,NaOH,PEA和混合物的种类判别,并为PEA的合成和质量控制提供理论依据和技术支撑。     

拉曼光谱技术的汽油组分含量测定

为实现汽油中所含组分含量的快速测定,对93号、97号汽油,芳烃、烯烃、苯、甲醇、乙醇等几类物质,以及往汽油中添加几类物质后的410个汽油混合物进行拉曼光谱检测。将获取的原始拉曼光谱经过有效波段提取、平滑去噪、基线扣除、数据归一化等一系列预处理过程,最终提取出每个汽油混合样品光谱中所含的33个特征峰信息,依据现行的国标检测方法,以气相色谱法测定的汽油中各组分含量值为基础,结合化学计量学多重回归分析方法,建立了汽油组分含量测定模型。经过比较,使用多输出最小二乘支持向量回归机(MLS-SVR)建立的模型优于偏最小二乘(PLS)模型。MLS-SVR模型对汽油中芳烃、烯烃、苯、甲醇、乙醇测定精度均较好,预测均方根误差(RMSEP)分别为0.27%,0.30%,0.16%, 0.17%, 0.12%;相应的相关系数(r)为0.999 2,0.998 4,0.998 5,0.992 6,0.996 8。通过对未知混合汽油样品的测定,证明了该方法具有较好的推广预测精度,预测均方根误差不超过0.5%,能够满足工业中的测量需求。拉曼光谱结合多输出最小二乘支持向量机为汽油组分测定提供了一种高精确、快捷、方便的测定方法。     

基于ICP-MS法的苹果酒发酵过程矿质元素的动态分析

利用电感耦合等离子质谱仪(ICP-MS)测定苹果酒发酵的不同时期主要矿质元素含量,分析在苹果酒发酵过程中主要矿质元素的吸收和释放的动态变化。结果表明：发酵液中含有的主要矿质元素有钾、钠、钙、镁、铁、锰、铜、锌、锶、硼等十种,其中钾元素的含量最高,在苹果汁中达到1 853.83 mg·L-1,经过发酵后的含量为1 654.38 mg·L-1。在发酵过程中,各种矿质元素的含量处于不断的动态变化之中,整体看来,在发酵进行72～120 h以及144～216 h,大部分矿质元素的含量变化波动较大;尤其在发酵进行到192 h,大部分矿质元素的含量都达到峰值或谷值,其中铁和锌元素的含量达到峰值,钾、钠、钙、镁、锰、硼六种元素的含量达到谷值。但在随后发酵结束前的24 h内,矿质元素的含量又剧烈反弹。经过发酵过程后,钾、镁、铜、锌、硼等元素的含量显著降低,钠、钙、锰、铁、锶等元素含量变化不显著。对十种元素进行相关性分析,结果表明钙元素和锰元素之间的相关性最高,pearson相关系数达到0.924。试验结果为调控酿酒过程,控制产品质量提供了理论依据。     

大气中目标背景对比度及其影响因素的数值分析

 从辐射传输理论出发，利用离散纵标法软件包（DISORT），计算了典型大气条件下0.55μm波长的目标背景对比度，分析了观察者的天顶角和方位角、水平能见度、垂直高度、太阳的天顶角和方位角以及气溶胶单次散射反照率对目标背景对比度的影响。结果表明：目标背景对比度随着观察者天顶角余弦的增加而增加；随着太阳天顶角余弦的增加而减小；随着观察者和太阳方位角差的增加而增加；随着高度的增加而减小；随着水平能见度的增加而增加；随着单次散射反照率的增加而减小。     

磁化溶液样品对ICP发射光谱的增敏效应

利用磁感应强度为0.24T的磁场处理含乙醇的水溶液,研究了样品溶液的物理性质和雾化特性以及样品溶液中元素的谱线强度随磁化时间的变化情况,并且讨论了磁化机理。实验结果表明,随着磁处理时间的延长,分析样品的有效利用率提高了;当样品中加入乙醇时,元素的谱线强度较早地出现了峰值。在磁化时间为2 h的条件下,不含乙醇的样品溶液中,元素Zn, Pb, Cd, Fe, Si, Cu, Cr和Sr的谱线强度比溶液未磁化时分别提高了22.9%, 38.8%, 25.6%, 48.3%, 52.4%, 6.0%, 22.3%和22.7%;含6%乙醇的样品溶液中,元素Zn, Pb, Cd, Fe, Si, Cu, Cr和Sr的谱线强度比溶液未磁化时分别增加了22.4%, 42.6%, 39.4%, 43.9%, 72.4%, 9.7%, 16.1%和17.1%。样品溶液磁化后进行分析, 有利于降低光谱分析检出限。     

Tasting nuclear pasta made with classical molecular dynamics simulations

Recently the AMS-02 reported the precise measurements of the energy spectra of medium-mass compositions (Neon, Magnesium, Silicon) of primary cosmic rays, which reveal different properties from those of light compositions (Helium, Carbon, Oxygen). Here we propose a nearby source scenario, together with the background source contribution, to explain the newly measured spectra of cosmic ray Ne, Mg, Si, and particularly their differences from that of He, C, O. Their differences at high energies can be naturally accounted for by the element abundance of the nearby source. Specifically, the abundance ratio of the nearby source to the background of the Ne, Mg, Si elements is lower by a factor of ~ 1.7 than that of the He, C, O elements. Such a difference could be due to the abundance difference of the stellar evolution of the progenitor star or the acceleration process/environment, of the nearby source. This scenario can simultaneously explain the high-energy spectral softening features of cosmic ray spectra revealed recently by CREAM/NUCLEON/DAMPE, as well as the energy-dependent behaviors of the large-scale anisotropies. It is predicted that the dipole anisotropy amplitudes below PeV energies of the Ne, Mg, Si group are smaller than that of the He, C, O group, which can be tested with future measurements.

     

激光多模式毛细管电泳检测器的光学设计及优化

提出一种基于毛细管电泳的激光多模式检测器.为设计并优化其光路构型,进行了理论分析和数学推导,并采用Matlab仿真,得到光路中各参量优化取值范围.在热透镜通道,激发光束腰半径越小,则热透镜效应越强.而探测激光束腰半径、束腰与样品距离、样品与探测面距离三个参量综合决定检出信号强度;在回射干涉通道,聚焦透镜焦距应较短,它与毛细管距离对检测影响很大,而与激光器、与探测面的两距离对检测影响相对较小;热透镜效应对回射干涉检测影响不明显,如要严格消除,可将两通道错开一适当距离.     

塔河地区主要岩石金属元素含量、物性参数与光谱特征间的关系研究

测试了采集自黑龙江省塔河地区的300块并进行抛光处理后的岩石样本350~2 500nm间光谱反射率、磁化率、密度、孔隙率和金属元素含量(Fe,Mn,Ti,Zr,V,Zn,Pb,Nb,Co,Bi),并计算了其光谱吸收深度。在此基础上,以相关性分析方法为依据,探讨了所采集岩石样本的金属元素含量、物性参数、反射光谱间的特征响应关系,计算了岩石样本金属元素和光谱吸收深度间的相关性系数、物性参数与光谱反射率的相关性系数,获得成果如下:(1)在410nm附近,闪长玢岩各金属元素与吸收深度间的相关系数都存在尖锐的波峰和波谷,相关系数达到极值。(2)岩石样本金属元素和吸收深度的相关性研究中,侵入岩的相关系数则显著高于其他岩石类型。(3)1 400nm附近,岩石样本金属元素与吸收深度、各物性参数与光谱反射率的相关性都存在尖锐的波峰和波谷。其中磁化率、密度、视孔隙率与光谱反射率的相关系数在可见光范围内波动变化较大。(4)在1 900~2 500nm范围内,金属元素与光谱吸收深度、各物性参数与光谱反射率间的相关系数波动较大,其中金属元素和光谱吸收深度呈显著相关,相关系数达到极值。进一步研究了岩石金属元素和物理特性与其光谱特征的关系,对于不同岩性的不同波段的反射率与不同金属元素间分布状态的探测,具有一定意义。