A Device for Offsetting High Level Electrical Interferences in Low Level Detectors

It is often useful to maintain an analogue output of a signal which has excessive noise. At near D.C. frequencies, this is seldom possible. However, when the noise can be identified, two ways of correcting this situation are immediately available. The first is to eliminate the interference at the source and the second is to supply appropriate offset to this interference. In the case of high-level energy sources, it is virtually impossible to eliminate their interference and it becomes necessary to fabricate electrical offsets to do this. This procedure is well-established in electronics and is used extensively in operational amplifiers.     

Decoupling multimode vibrational relaxations in multi-component gas mixtures: Analysis of sound relaxational absorption spectra

Decoupling the complicated vibrational-vibrational (V-V) coupling of a multimode vibrational relaxation remains a challenge for analyzing the sound relaxational absorption in multi-component gas mixtures. In our previous work [Acta Phys. Sin. 61 174301 (2012)], an analytical model to predict the sound absorption from vibrational relaxation in a gas medium is proposed. In this paper, we develop the model to decouple the V-V coupled energy to each vibrational- translational deexcitation path, and analyze how the multimode relaxations form the peaks of sound absorption spectra in gas mixtures. We prove that a multimode relaxation is the sum of its decoupled single-relaxation processes, and only the decoupled process with a significant isochoric-molar-heat can be observed as an absorption peak. The decoupling model clarifies the essential processes behind the peaks in spectra arising from the multimode relaxations in multi-component gas mixtures. The simulation validates the proposed decoupling model.     

Fourier Transform 13C NMR Analysis of Some Methaqualone Metabolites

The natural abundance carbon-13 nuclear magnetic resonance spectra of some methaqualone metabolites were recorded using the pulse fourier transform technique. The chemical shift of various carbon resonances have been assigned on the basis of the chemical shift theory, multiplicities observed in SFORD spectrum and comparison with the chemical shifts of the corresponding carbons of methaqualone.     

Lifshitz-like argument for low-lying states in a strong magnetic field

Localization of an electron moving in two dimensions, submitted to a strong magnetic field and scattered by randomly distributed zero-range impurities is investigated. Considering the explicit expression for the density of states obtained by Brézin, Gross and Itzykson, the Lifshitz argument is adapted in order to analyze the unusual power-law behavior of the low energy spectrum. When the impurity density is smaller than the Landau degeneracy, typical configurations of disorder responsible for low energy states are identified as cluster of impurities of well defined form. This allows for an interpretation of low-lying states, localized around these clusters, whose size diverges logarithmically as the energy goes to zero. Received 5 January 2000     

B$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;Y($lt;i$gt;n$lt;/i$gt;=1–11)团簇的结构和电子性质

利用密度泛函理论TPSSh方法对B采用6-311+G(d), 对Y采用Lanl2dz相对论有效势基组, 研究了B_nY (n=1–11)团簇的平均结合能、二阶能量差分、最高分子占据轨道和最低空轨道之间的能级间隙、极化率和第一静态超极化率等物理化学性质. 结果表明, 随着尺寸的增大, B_nY (n=1–11)团簇的最低能量结构从平面逐步演变为立体结构. 随硼原子数n的增加, 团簇的平均结合能表明了较好的热力学稳定性, 有利于Y掺杂B团簇形成较大的块体材料.二阶能量差分表明基态B₃Y, B₅Y和B₇Y团簇较相邻团簇稳定. 能隙表明了基态B₃Y, B₅Y, B₇Y和B₉Y的化学稳定性较高. 综合说明B_nY (n=1–11)硼团簇中, 基态B₃Y, B₅Y和B₇Y具有较好的稳定性. 极化率表明基态B_nY团簇的电子结构随B原子的增加趋于紧凑, 第一静态超极化率表明基态B₅Y, B₄Y, B₃Y和B₆Y平面结构的团簇具有明显的非线性光学性质, 为寻找性能优异的非线性光学材料提供了一定的参考. 关键词： 密度泛函TPSSh方法 nY (n=1–')" href="#">B_nY (n=1– 11)团簇 几何结构 电子性质     

GaAs (100)-(1X1) Structure Analysis from LEED Intensities

GaAs (100)-(1X1) surface grown by molecular-beam epitaxy was studied by low energy electron diffraction (LEED). Intensities of diffraction spots were measured in the energy range of (40-300) eV and analysed using dynamical tensor LEED package. Relaxation of surface layers decreased the Pendry's R-factor to 0.48. Analysis of the LEED intensity-voltage curves for the normal electron incidence shows that the investigated surface structure is more complicated than a simply relaxed ideal surface.     

Irn(n=2-25)团簇基态结构的遗传算法研究

用遗传算法结合Gupta紧束缚模型势研究了Irn(n=2-25)团簇的基态结构.分析了Irn(n=2-25)团簇的基态结构随团簇尺寸的变化规律.计算结果表明,Irn(n=2-25)团簇的每个原子的平均束缚能和平均第一近邻随团簇尺寸的增加而增大,以总束缚能的二阶差分为判据,Irn(n=2-25)团簇的幻数是4、7、9、13、15、19、23.     

Au_nCu(n=1～3)二元合金小团簇结构和稳定性的密度泛函研究

采用密度泛函理论(DFT)B3LYP在SDD基组水平上对Au_nCu(n=1～3)二元合金小团簇各种可能的构型进行几何优化,预测了各团簇的稳定结构.并对基态结构进行了研究,计算了平均结合能、最高占据轨道能级和最低空轨道能级以及两者间的能隙.结果表明掺杂Cu原子后使得Au_nCu(n=1～3)团簇的化学性质更稳定.     

AunCu ( n =1-3)二元合金小团簇结构和稳定性的密度泛函研究

采用密度泛函理论(DFT) B3LYP 在SDD基组水平上对AunCu(n =1-3)二元合金小团簇各种可能的构型进行几何优化,预测了各团簇的稳定结构. 并对基态结构进行了研究,计算了平均结合能、最高占据轨道能级和最低空轨道能级以及两者间的能隙.结果表明掺杂Cu原子后使得AunCu(n =1-3)团簇的化学性质更稳定.     

A study of the reactions KN→Σ(1385)π between 0.6 and 1.2 GeV/c

An energy-dependent partial-wave analysis of the reaction $\text{K}\text{N}\text{→Σ(1385)π}$ has been performed in the energy region lying between 1.65 and 1.85 GeV. The resonant amplitudes of seven well known Y¹ resonances have been determined, and used to compute the corresponding (8) ? (10) SU (3) coupling constants.     

Decoupling potentials for the three-body final state Schrödinger equation of knockout reactions

In the conventional distorted wave impulse approximation (DWIA) approach the three-body final state of a knockout reaction is decoupled by assuming a plane wave form for the coupling term. The influence of this decoupling approximation on the analyses of cluster knockout reactions has been investigated for a test case where the exact solution is obtainable. A proper treatment of the coupling term causes large oscillations in the effective distorting optical potentials for the decoupled Schrödinger equation. These decoupling potentials depend strongly not only on the partial wave angular momentum,l but also on their azimuthal projection,m.     

Probing structural and electronic properties of divalent metal Mgn+1 and SrMgn (n=2–12) clusters and their anions

Divalent metal clusters have received great attention due to the interesting size-induced nonmetal-to-metal transition and fascinating properties dependent on cluster size,shape,and doping.In this work,the combination of the CALYPSO code and density functional theory(DFT)optimization is employed to explore the structural properties of neutral and anionic Mg_n+1 and SrMgn(n=2-12)clusters.The results exhibit that as the atomic number of Mg increases,Sr atoms are more likely to replace Mg atoms located in the skeleton convex cap.By analyzing the binding energy,second-order energy difference and the charge transfer,it can be found the SrMg9 cluster with tower framework presents outstanding stability in a studied size range.Further,bonding characteristic analysis reveals that the stability of SrMg9 can be improved due to the strong s-p interaction among the atomic orbitals of Sr and Mg atoms.     

Photo-induced charge transfer emission in (E)-3-(4-dimethylamino-naphthalen-1-yl)-acrylic acid and its use as metal ions fluorosensor

In this study, spectroscopic properties of (E)-3-(4-dimethylamino-naphthalen-1-yl)-acrylic acid (DMANAA) have been explored using absorption and emission spectroscopy in combination with quantum chemical calculations. In addition to the local emission, the molecule shows a red-shifted emission from the charge transfer state. The charge transfer emission band is found to be dependent on polarity and hydrogen-bonding ability of the solvents. This photo-induced charge transfer process has been explored theoretically at Density Functional Theory level using twisted intramolecular charge transfer model. Structural calculations and potential energy surfaces along the donor twist coordinate done by Density Functional Theory correlate well with the spectroscopic observations. Addition of metal ions to DMANAA solutions in acetonitrile solvent shows progressive quenching of the charge transfer band and growth of a blue-shifted band, making way for its use as a good fluorosensor for various metal ions.     

SO-2(2B1)离子的结构与势能函数

用二次组态相互作用方法 ,在 6 31 1G(d)基组水平上对SO-2 离子进行了理论计算 ,得到了它的结构、能量、谐振频率和力学性质 ,其结果与实验值符合得非常好 .在此计算的基础上 ,应用多体展式理论方法推导出SO-2 离子的解析势能函数 ,该函数正确反映了SO-2 离子的结构特征和能量变化     

The phonon effects on the impurity states in cylindrical quantum wire with a finite confining potential

The variational method and the effective mass approximation are applied to calculate the binding energies of the hydrogenic impurity states in a cylindrical quantum wire with finite deep potential well. The phonon effects on the impurity states are considered by taking both the couplings of the electron-phonon and the impurity ion-phonon into account. The numerical results for the GaAs cylindrical quantum wire are given and discussed. It is found that the ion-phonon interaction reduces the impurity binding energy and supplies key contribution to the energy shift, but the electron-phonon coupling enhances the binding energy less. Longitudinal optical (LO) phonons play more important role than interface optical (IO) phonons in the impurity potential screening. The polaron effect caused by LO phonons is more important when the wire is thinner, otherwise the LO phonons are dominant for the thicker wires.     

Li2Bn(n=1—10)团簇的几何结构和电子性质

应用密度泛函理论(DFT)B3LYP方法在6-311+G(d)水平上计算并分析了Li2Bn(n=1-10)团簇的几何结构及电子性质.同时,讨论了团簇的平均结合能、能级间隙、二阶能量差分和极化率.研究表明: Li2Bn(n=1-10)团簇基态大多为立体构型. 能级间隙和二阶能量差分结果表明Li2B8是幻数团簇.对平均线性极化率和极化率的各向异性不变量研究表明,基态Li2Bn团簇的电子结构随B原子的增加虽然趋于紧凑,但尚未形成特定的堆积方式.     

Stability of droplets and channels on homogeneous and structured surfaces

Wetting of structured or imprinted surfaces which leads to a variety of different morphologies such as droplets, channels or thin films is studied theoretically using the general framework of surface or interface thermodynamics. The first variation of the interfacial free energy leads to the well-known Laplace equation and a generalized Young equation which involves spatially dependent interfacial tensions. Furthermore, we perform the second variation of the free energy for arbitrary surface patterns and arbitrary shape of the wetting morphology in order to derive a new and general stability criterion. The latter criterion is then applied to cylindrical segments or channels on homogeneous and structured surfaces. Received 4 August 1999     

Experimental determination of the translational kinetic energy of liquid and solid hydrogen

TOSCA is a novel inelastic spectrometer operating on the pulsed neutron source ISIS (UK). It covers a wide momentum and energy range, even though its kinematic region is close to a line in the (k, E) plane. Its use is mainly intended for vibrational spectroscopy. However, taking advantage of its good resolving power, we have carried out a test experiment aimed to use this instrument to measure the centre of mass kinetic energy of molecular hydrogen. The experiment was successful and we have obtained the translational kinetic energy of liquid and solid para-hydrogen improving the overall accuracy by almost an order of magnitude with respect to previous determinations. The data are compared with the results of a Path Integral Monte-Carlo simulations with almost perfect agreement. We have demonstrated that TOSCA can be used for measuring the translational kinetic energy of small molecular systems, taking advantage of the intrinsic incoherence that is introduced in the scattering process by the intra-molecular transitions. Received 9 June 1999     

Statics and dynamics of a single ferrofluid-peak

We consider a single peak of a ferrofluid resulting from the Rosensweig instability for a small fluid container. Minimizing the total energy of the system by a variational method we determine the shape of the peak in a static field as well as the characteristics of the subcritical bifurcation leading to its formation. The latter are in very good agreement with experiment. Generalizing the approach to dynamic situations we qualitatively reproduce the complicated subharmonic response of the peak to an oscillating part in the external magnetic field found in recent experiments. Received 14 December 1999 and Received in final form 31 May 2000     

2(8-羟基喹啉)-2(苯酚)合锆薄膜的制备与性能研究

设计合成了一种新型的有机电致发光材料2(8-羟基喹啉)-2(苯酚)合锆(Zr(OPh)₂q₂),制备了Zr(OPh)₂q₂薄膜,并利用红外光谱、差热-热重谱、扫描电镜、X射线衍射谱、UV吸收谱和荧光光谱等方法研究了其晶态、热稳定性、能带结构以及光致发光机理。结果表明,Zr(OPh)₂q₂的熔点为381.2 ℃,分解温度为467.1 ℃,具有非常高的热稳定性,利用真空热蒸镀方法很容易在经过净化处理的玻璃基底上形成高质量、无定形纳米级薄膜,在390 nm紫外光的激发下,Zr(OPh)₂q₂薄膜产生发光峰为525 nm、半峰宽度为107.6 nm的强黄绿色荧光,其粉体产生强黄色荧光,是一种性能优良的电致发光材料。