分子一阶超极化率溶剂效应的理论研究

基于一维谐振子模型建立了极性溶剂对光学二阶非线性分子一阶超极化率产生影响的简化理论模型,推导出了非线性分子的线性极化率α和一阶超极化率β的表达式. 以对硝基苯胺为例,所建立的理论模型计算结果较好地解释了实验获得的溶剂极性对其分子线性吸收峰波长（λ_p）和β值的影响. 关键词： 二阶非线性 溶剂效应 谐振子     

溶剂中一、二维电荷转移分子二阶非线性光学性质理论研究

以典型的一、二维电荷转移分子,对硝基苯胺(pNA),1,3-二氨基-4,6-二硝基苯(DADB)分子为例,运用密度泛函理论(DFT)B3LYP和含时耦合微扰(TDHF)方法在6-31+G(d,p)水平上研究了溶剂和入射光频率对目标分子的非线性光学性质的影响.研究发现溶剂分子对分子一阶超极化率β和紫外吸收光谱的影响很大,但对一阶超极化率各向异性比η和退偏比D的影响很小,这是由于随着溶剂相对介电常数的增加,一阶超极化率的分量︱βxxy︱和︱βyyy︱不断增加,且二者具有很好的线性相关性.然而,考虑色散效应后,不同溶剂中分子的一阶超极化率及其各向异性参数都不相同,色散效应对分子一阶超极化率及其各向异性性质均有很大影响.考虑溶剂效应和色散效应后得到的计算结果与实验结果符合得较好.     

不同溶剂中硝基苯胺分子非线性光学性质的研究

在含时密度泛函理论水平上研究了溶剂对硝基苯胺分子非线性光学性质的影响 .溶剂效应通过极化连续模型来研究 .首先采用极化连续模型在密度泛函理论水平上优化了硝基苯胺分子在溶剂中的几何结构 ,从而研究了溶剂引起硝基苯胺分子几何结构的变化 .然后采用极化连续模型在含时密度泛函理论水平上计算了不同溶剂中硝基苯胺分子的激发态能量和电偶极矩 ,并利用两态模型首次给出了不同溶剂中二次谐波振荡过程的一阶非线性超极化率的色散关系 .计算结果表明 ,极性溶剂对硝基苯胺分子的非线性光学性质有较大的影响 .在低的辐射场频率下 ,理论给出的一阶非线性超极化率的色散关系和实验结果符合得较好 .最后对所得结果从理论上给出了可能的解释并讨论了两态模型的可靠性 .     

色散效应对光学参量放大器量子起伏特性的影响

解析求解了包含色散、损耗和抽运吃空的含时的Fokker-Planck方程,通过数值计算首先获得了色散时简并参量放大(DOPA)系统的光压缩特性.研究结果表明：色散效应是由非线性极化率从χ″增大到χ″/{1+σ²/}/+2而引起的.随着色散效应的逐渐增大,压缩曲线的形状基本相同,且整体向左收缩,最大压缩趋近于线性理论的结果1/(1+μ).还获得了色散时非简并参量放大(NOPA)系统的光纠缠特性.研究发现：当σ给定,随着抽运参数μ的增大,相应的相位变化也增大,非线性极化率的极性发生多次变化,极性为正阶段的增益大部分被极性为负阶段的衰减所抵消,净增益不大,压缩也不大,最小均方差V₁的值逐渐减小,且整体向右移动,接近于线性理论的结果1/(1+μ).     

一种时间序列的弱非线性检验方法

时间序列的非线性是判定该时间序列具有混沌特性的必要条件.提出一种基于线性和非线性AR模型归一化多步预测误差比值的非线性检验量δ_NAR,采用替代数据法来检测时间序列中的弱非线性.以Lorenz时间序列为例,分析了估计非线性检验量δ_NAR时各相关参数对弱非线性检测性能的影响.通过混沌时间序列非线性检测试验,对4种混沌时间序列中的3种,非线性检验量δ_NAR都表现出比基于AIC模型选择准则的非线性检验量相似文献   

一种新型的多模虚偶相干态光场的等阶N次方Y压缩与等阶N次方H压缩

本文利用新近建立的多模压缩态理论,详细研究了一种新型的多模虚偶相干态光场|Ψ_i,e⁽²⁾>_q的广义非线性等阶N次方Y压缩与等阶N次方H压缩特性.结果发现:1)态|Ψ_i,e⁽²⁾>_q是一种典型的多模非经典光场,当压缩阶数N为奇数时,态|Ψ_i,e⁽²⁾>_q在一定条件下总可呈现出周期性变化的、任意阶的等阶N次方Y压缩效应;当腔模总数q与压缩阶数N这两者的乘积q·N为奇数时,则在一定条件下态|Ψ_i,e⁽²⁾>_q又可呈现出周期性变化的、任意阶的等阶N次方H压缩效应.2)态|Ψ_i,e⁽²⁾>_q的等阶N次方Y压缩与等阶N次方H压缩效应这两者的压缩程度和压缩深度分别与几率幅γ_q^(e)、压缩参数R_j、各模的初始相位φ_j(或者各模的初始相位和 φ_j)、压缩阶数N以及腔模(指纵模)总数q等呈较强的非线性关联,等阶N次方H压缩效应与上述诸参量之间的非线性关联程度要比等阶N次方Y压缩效应的更强.3)多模虚偶相干态光场|Ψ_i,e⁽²⁾>_q与多模偶相干态光场|Ψ_,e>_q及多模复共轭偶相干态光场|Ψ*_,e⁽²⁾>_q这后两者的等阶N次方Y压缩效应和等阶N次方H压缩效应的压缩条件和压缩特性正好相反,这种现象就称为相反压缩.     

第V类两态叠加多模叠加态光场的广义非线性等阶N次方Y压缩

本文构造了由多模真空态|{0_j}>_q和多模虚相干态的相反态|{-iZ_j}>_q这两者的线性叠加所组成的第V类两态叠加多模叠加态光场|ψ₅⁽²⁾>_q.利用多模压缩态理论,研究了态|ψ₅⁽²⁾>_q的广义非线性等阶N次方Y压缩特性.结果发现:1)态|ψ₅⁽²⁾>_q是一种典型的多模非经典光场;无论压缩阶数N取奇还是取偶,只要各模的初始相位φ_j(j=1,2,3,…,…,q)和态间的初始相位差(θ_nq^(I)-θ_oq^(o))等满足一定的取值条件,态|ψ₅⁽²⁾>_q总可呈现出周期性变化的、任意奇数阶和任意偶数阶的广义非线性等阶N次方Y压缩效应.2)态|ψ₅⁽²⁾>_q所分别呈现的任意奇数阶和任意偶数阶的等阶N次方Y压缩效应,其压缩条件、压缩特征以及压缩程度和压缩深度等各不相同.3)无论压缩阶数N取奇还是取偶,态|ψ₅⁽²⁾>_q的第一和第二这两个正交分量的等阶N次方Y压缩效应总是呈现出周期性的互补关系.     

多模虚共轭相干态与多模真空态的叠加态光场的等阶N次方Y压缩

利用多模压缩态理论,研究了多模虚共轭相干态|{iZ_j^*}〉q与多模真空态|{O_j}〉q的叠加态|{Ψ_p⁽²⁾}〉q的广义非线性等阶N次方Y压缩特性.结果发现态|{Ψ_p⁽²⁾}〉q是一种典型的多模非经典光场,它在一定的条件下,可呈现出周期性变化的、任意奇数阶和任意偶数阶的等阶N次方Y压缩效应,而在另外的条件下,则可呈现出等阶N次方Y相似压缩现象.     

一种强度不等的新型两态叠加多模叠加态光场的等阶N次方Y压缩效应

本文构造了由多模虚共轭相干态{iZ_j^(a)*}>_q与多模虚共轭相干态的相反态|{-iZ_j^(b)*}>_q这两者的线性叠加所组成的一种强度不等的新型两态叠加多模叠加态光场 |Ψ^(ab)>_q.利用多模压缩态理论,对态|Ψ^(ab)>_q的等阶N次方Y压缩特性进行了详细研究.结果发现:该态在一定条件下可呈现出周期性变化的任意奇数阶和任意偶数阶的等阶N次方Y压缩效应,而在特殊条件下,则呈现出等阶N次方Y压缩简并现象.     

多模复共轭虚偶相干态光场的等阶N次方Y压缩与等阶N次方H压缩

本文利用新近建立的多模压缩态理论,详细研究了一种新型的多模复共轭虚偶相干态光场|Ψ_i,e^*(2)>_q的广义非线性等阶N次方Y压缩与等阶N次方H压缩特性.结果发现:1)当压缩阶数N为奇数时,态Ψ_i,e^*(2)>_q在一定条件下总可呈现出周期性变化的、任意阶的等阶N次方Y压缩效应;当腔模总数q与压缩阶数N两者之乘积q·N为奇数时,则在一定条件下态|Ψ_i,e^*(2)>_q又可呈现出周期性变化的、任意阶的等阶N次方H压缩效应.2)态|Ψ_i,e^*(2)>_q与多模偶相干态光场|Ψ_i,e^*(2)>_q与多模虚偶相干态光场|Ψ_i,e⁽²⁾>_q的压缩幅度、压缩条件和压缩特征等完全相同.这一结果再次从理论上证实了多模压缩光中的确存在着“相反压缩”和“压缩简并”这两类新的物理现象.     

Lake Baikal neutrino experiment: Selected results

We review the present status of the Lake Baikal neutrino experiment and present selected physics results obtained during the consecutive stages of the stepwise upgrade of the detector: from NT-36 to NT-96. The results cover atmospheric muons, neutrino events, neutrinos of very high energy, searches for neutrino events from WIMP annihilation, searches for magnetic monopoles, and environmental studies. We also describe an air Cherenkov array developed for studying the angular resolution of NT-200. From Yadernaya Fizika, Vol. 63, No. 6, 2000, pp. 1027–1036. Original English Text Copyright ? 2000 by Balkanov, Belolaptikov, Bezrukov, Budnev, Chensky, Danilchenko, Dzhilkibaev, Domogatsky, Doroshenko, Fialkovsky, Gaponenko, Garus, Gress, Kiss, Klimov, Klimushin, Koshechkin, Kuznetzov, Kulepov, Kuzmichev, Lovzov, Laudenskaite, Lubsandorzhiev, Milenin, Mirgazov, Moseiko, Netikov, Osipova, Panfilov, Parfenov, Pavlov, Pliskovsky, Pokhil, Popova, Rozanov, Sokalski, Spiering, Streicher, Tarashansky, Toht, Thon, Vasiliev, Wischnewski, Yashin. This article was submitted by the authors in English.     

Elemental analysis of fertilizer using laser induced breakdown spectroscopy

In recent years, the use of fertilizers has increased to achieve high growth rate of agriculture products. With this increase the chemical impact of agricultural activities on the environment has also been enhanced. In order to keep the environment healthy, and clean, it is necessary to identify contaminants and characterize the sources of contamination. In this study, a comprehensive chemical characterization of a DAP fertilizer has been carried out using laser induced breakdown spectroscopy. Phosphorous, manganese, magnesium, iron, titanium, molybdenum, nickel, cobalt, aluminum, chromium, lead, and uranium traces are detected. Relative abundances of Phosphorous, manganese, magnesium, molybdenum, iron, titanium, nickel, vanadium, calcium, cobalt, cadmium, tin are 26.64, 17.75, 13 97, 8.25, 7.97, 7.11, 5.07, 3.15, 2.94, 1.94, 1,55, 1.73 percent, respectively, whereas relative abundances of sulfur, aluminum, chromium, lead, and uranium are less than 1% and their sum is 1.93% of the total sample.     

The Lake Baikal neutrino experiment

We review the present status of the Baikal neutrino experiment. The structure and parameters of the neutrino telescope NT-200, which was put into operation in April 1998, are described. Selected methodological results are presented. Physics results cover separating up-going muons from atmospheric neutrinos, searches for neutrino events from WIMP annihilation, searches for magnetic monopoles, and high-energy neutrinos. From Yadernaya Fizika, Vol. 66, No. 3, 2003, pp. 530–535. Original English Text Copyright ? 2003 by Balkanov, Belolaptikov, Bezrukov, Budnev, Chensky, Danilchenko, Dzhilkibaev, Domogatsky, Fialkovsky, Gaponenko, O. Gress, T. Gress, Il'yasov, Klabukov, Klimov, Klimushin, Koshechkin, Konischev, Kulepov, Kuzmichev, Kuznetsov, Lubsandorzhiev, Micheev, Milenin, Mirgazov, Moseiko, Osipova, Panfilov, Pan'kov Parfenov, Pavlov, Pliskovsky, Pokhil, Poleshuk, Popova, Prosin, Rosanov, Rubzov, Semenei, Spiering, Streicher, Tarashansky, Vasiliev, Wischnewski, Yashin, Zhukov. This article was submitted by the authors in English.     

The majorana neutrinoless double-beta decay experiment

The proposed Majorana double-beta decay experiment is based on an array of segmented intrinsic Ge detectors with a total mass of 500 kg of Ge isotopically enriched to 86% in ⁷⁶Ge. A discussion is given of background reduction by material selection, detector segmentation, pulse shape analysis, and electroformation of copper parts and granularity. Predictions of the experimental sensitivity are given. For an experimental running time of 10 years over the construction and operation oft he Majorana setup, a sensitivity of T _1/2 ^0ν ∼4×10²⁷ yr is predicted. This corresponds to 〈mν〉∼0.003−0.004 eV according to recent QRPA and RQRPA matrix element calculations. From Yadernaya Fizika, Vol. 67, No. 11, 2004, pp. 2025–2032. Original English Text Copyright ? 2004 by Aalseth, Anderson, Arthur, Avignone III, Baktash, Ball, Barabash, Brodzinski, Brudanin, Bugg, Champagne, Chan, Cianciolo, Collar, Creswick, Doe, Dunham, Easterday, Efremenko, Egorov, Ejiri, Elliott, Ely, Fallon, Farach, Gaitskell, Gehman, Grzywacz, Hazma, Hime, Hossbach, Jordan, Kazkaz, Kephart, King III, Kochetov, Konovalov, Kouzes, Lesko, Macchiavelli, Miley, Mills, Nomachi, Palms, Pitts, Poon, Radford, Reeves, Robertson, Rohm, Rykaczewski, Saborov, Sandukovsky, Shawley, Stekhanov, Tornow, van de Water, Vetter, Warner, Webb, Wilkerson, Wouters, Young, Yumatov. This article was submitted by the authors in English. The authors represent the Majorana Collaboration     

Vacuum arc ion charge-state distributions

Vacuum arc ion charge-state spectra have been measured for a wide range of metallic cathode materials. The charge-state distributions were measured using a time-of-flight diagnostic to monitor the energetic ion beam produced by a metal vapor vacuum arc ion source. Data were obtained for 48 metallic cathode elements: Li, C, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn Fe, Co, Ni, Cu, Zn, Ge, Sr, Y, Zr, Nb, Mo, Pd, Ag, Cd, In, Sn, Ba, La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, Er Yb, Hf, Ta, W, Ir, Pt, Au Pb, Bi, Th, and U. The arc was operated in a pulsed mode with pulse length 0.25 ms: arc current was 100 A throughout. The measured distributions are cataloged and compared with earlier results. Some observations about the performance of the various elements as suitable vacuum arc cathode materials are also presented     

A Rapid Method for the Determination of Trace Element Impurities in Silicons Oils by ICP-MS After Microwave-Assisted Digestion

Abstract

A microwave-assisted digestion procedure has been developed for the treatment of silicone oil samples. Inductively coupled plasma mass spectrometry (ICP-MS) was used to determine the concentration level of 40 trace element impurities, like Li, Na, Mg, Al, P, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, As, Se, Sr, Rb, Zr, Nb, Mo, Ag, Cd, Sn, Sb, Ba, La, Ce, Nd, Hf, W, Au, Pb, Hg, Th, Bi and U in these samples, having obtained average relative standard deviation values of 9.6%. The methodology developed has been tested by recovery studies on different natural samples spiked with known amounts of Mg, Cr, Mn, Fe, Zn and Pb at concentration levels of 10, 0.5, 5, 5, 10 and 1 μg g^?1 and recovery percentage values varies from 97 to 105 %.     

ICP-AES法测定玉米秸秆中的微量元素含量

采用高压硝化罐处理样品,以ICP-AES法测定了我国山西、北京、新疆、山东、内蒙、甘肃、陕西、吉林、云南、江苏10个不同省区不同品种玉米秸秆中Zn,Mg,Mn,Sr,Fe,Co,Ni和Se八种微量元素的含量。实验确定加入5 mL硝酸、3 mL高氯酸以及3 mL氢氟酸,将硝化罐置于130 ℃油浴中4 h,即可将样品完全消解。此方法测定各地区玉米秸秆中Zn的回收率在96.5％～103.8％之间,Mg的回收率在98.0％～102.5％之间,Mn的回收率在95.7％～104.1％之间,Sr的回收率在97.1％～103.2％之间,Fe的回收率在95.1％～101.3％之间,Co的回收率在95.1％～104.5％之间,Ni的回收率在97.0％～103.5％之间以及Se的回收率在95.9%～104.6％之间。所有元素测定结果的相对标准偏差均小于5.00%。方法简便、快速、灵敏度高、准确性好、可多元素同时测定,且对环境污染小。     

不同糖类化合物的太赫兹光谱特性

选取对人体有重要作用的三种糖类化合物,采用高分辨率太赫兹时域光谱系统与傅里叶变换红外光谱系统,在较宽的频谱范围内,对样品进行测谱分析;实验发现无水葡萄糖在1.10,1.30,1.45,1.79,1.88,1.97,2.08,2.40,2.55,2.70,2.84 ,2.96,3.24,3.64和4.23 THz频率处存在特征吸收,无水果糖在1.09,1.33,1.65,2.14,2.62,2.97,3.24,4.75,6.97,7.35,7.98,8.36,9.16,9.32,9.53和9.73 THz频率处存在特征吸收,无水半乳糖在2.21,2.33,2.70,2.82,3.17,3.42,3.93,4.51,5.07,5.96,6.60,6.91,8.03,8.71和9.01 THz频率处存在特征吸收。对掺杂不同比例葡萄糖、果糖、半乳糖与聚乙烯样品的实验结果做定量分析,发现在测得的上述特征吸收频率处,随化合物样品质量分数的增加,样品的吸收系数或吸光度呈线性递增。实验进一步得到无水葡萄糖与无水果糖在2.96 THz存在共同的特征吸收,无水葡萄糖与无水半乳糖在2.33,2.70和2.82 THz三处存在共同的特征吸收,无水果糖与无水半乳糖在8.00 THz处存在共同的特征吸收,而无水葡萄糖、果糖、半乳糖三者在3.20 THz处存在共同的特征吸收。三种化合物具有相同的分子式,所以三者都具有的3.20 THz特征吸收频率主要源于分子内相互作用,反应同分异构体相同的化学键或者基团。三者特征吸收频率的差异主要源于分子结构以及分子间相互作用的不同,代表同分异构体结构以及分子间振动模式的差异。通过分析三种糖类样品的实验测量结果,预测了葡萄糖在4.70,5.30,5.60,5.98,7.03,7.85,8.26,8.71和9.01 THz处存在特征吸收。基于密度泛函理论,采用CASTEP量子化学计算软件对三种化合物进行理论模拟,对样品在THz波段的特征吸收进行指认,计算得到的结果与实验结果吻合,这表明了CASTEP晶体模拟软件在化合物的THz光谱模拟方面应用的可行性。     

Physics beyond Standard Model: Working group 3 report

This is a summary of the beyond the Standard Model (including model building) working group of the WHEPP-X workshop held at Chennai from January 3 to 15, 2008. Participants: Neelima Agarwal, S K Agarwalla, C S Aulakh, A Belyaev, S S Biswal, B Bhattacharjee, G Bhattacharyya, L Calibbi, D Choudhury, E J Chun, D Das, A De Roeck, N G Deshpande, E Dudas, A Giri, D Grellshceid, R Godbole, S Goswami, M Guchait, M Hirsch, R Kaul, B Kodrani, M C Kumar, A Kundu, Y Mambrini, P Mathews, B Mellado, R Mohanta, S Mohanty, A Nyffeler, S Pakvasa, M K Parida, M Passera, C Petridou, S Poddar, P Poulose, A Rajaraman, G Rajasekaran, V Ravindran, Kumar Rao, D P Roy, Probir Roy, K A Saheb, V H Satheeshkumar, T Schwetz, A Tripathi, R Vaidya and S Vempati