Molecular structure, nuclear quadrupole coupling constant and dipole moment of nitrogen trichloride from microwave spectroscopy

The rotational constants of four isotopic species of nitrogen trichloride have been obtained from transitions in the millimeter region. Two r_s structures have been obtained with the following average values of the parameters. rN−C1=1.7535 ± 0.0020 A.The Stark effect of the J = 3 ← 2 transition was analyzed to obtaine the value 0.39 ± 0.01 D for the dipole moment of NCl₃. The measurement of the separation of the two strongest hyperfine components of the J = 2 ← 1 transition yielded the value of −108 ± 3 MHz for the N---Cl bond axis quadrupole coupling constant.     

Neutronen kleinwinkelstreuung und Blochwanddicke bei eisen-(2.5% Si)-einkristallen definierter bereichstruktur

Application of a mechanical selector for neutrons makes measurements with monochromatic neutrons of 4–6 Å wave-length possible. At these wavelengths, the scattering at the Bloch wall disappears at exactly grazing incidence if the wall is in a position so that the neutrons very accurately have the 110 direction. Previously observed scattering patterns appear at angles of 1°–2° of incidence. Exact calculations with the solution of the Pauli equation of the problem [1] show, that with angles greater than 0.5° one can use as approximation the usual law of diffraction with the wall as a sharp boundary. This describes the observations between 0.5° and 5°. The exact solution also shows that the behaviour at smaller angles is strongly dependent on the wall thickness and may allow its measurement to be made.     

Complete Determination of Nitrogen Quadrupole and Hyperfine Tensors in an Oxovanadium Complex by Simultaneous Fitting of Multifrequency ESEEM Powder Spectra

One-dimensional C- and X-band as well as two-dimensional X-band ESEEM experiments were performed on the complex oxobis(2-methylquinolin-8-olato) vanadium(IV) in frozen solution. A¹⁴N ESEEM simulation strategy based on initial first- and second-order perturbation analysis of peak positions in orientationally selected ESEEM spectra is presented. The constraint parameters extracted enable one to reduce the number of free fitting parameters for each nitrogen from 10 to 4. These are the α, β resp. the φ, θ Euler angles of the NQI and the HFI tensor defined in the coordinate system of the axialgtensor. The local symmetry of the complex allows one to reduce the number of free parameters to two angles only. Subsequently, a grid search in the remaining Euler space produced the starting parameters for the final fit of the¹⁴N hyperfine and quadrupole tensors. The anisotropic nitrogen hyperfine interaction tensor was found to be strongly nonaxial (0.06, 0.51, −0.57) MHz with the components significantly smaller than the isotropic hyperfine constant −6.18 MHz. In contrast, the quadrupole tensor withK= 0.58 MHz is close to axial (η = 0.13). These tensors share the principal axis normal to the ligand plane (as imposed by the local symmetry). The axes in the ligand plane are, however, rotated 50° with respect to each other. The orientation of the quadrupole tensor axes correlate within 10° with the orientation of the ligand plane following from the X-ray structure.     

Development of modulating permanent magnet sextupole lens for focusing of pulsed cold neutrons

Modulating permanent magnet sextupole lens (PMSx) for focusing pulsed cold neutrons is under development. The synchronized modulation of its field gradient suppresses the chromatic aberration which arises from the Time Of Flight method. The strength of the magnetic field, the torque, and the rise of temperature during its operation are studied on a fabricated prototype. Experiments on focusing pulsed very cold neutrons (VCN) at ILL (Institute of Laue Langevin, France) were carried out and VCN with around λ=40 Å were focused by the PMSx at a focal length of about 0.5 m. The experimental results are presented in conjunction with the principle of the neutron focusing and the modulating method of the focal strength of permanent magnet lens with the double ring structure.     

Status of the INR experiment on 2β decay of Cd

Measurements of ¹¹⁶Cd double beta decay with help of enriched¹¹⁶CdWO₄ crystal scintillator are in progress in the Solotvina Underground Laboratory. The last part of the exposition with the background rate less than 0.6 counts/y·kg·keV (in the region of interest 2.7–2.9 MeV) is about 19000 hours. The half-life limit T1/2(0ν)≥3.2·10²² y (90% C.L.) is obtained for neutrinoless 2β decay of ¹¹⁶Cd. It corresponds to restrictions on the values of the neutrino mass m_ν≤3.9 eV, right-handed admixtures in weak interaction η≤5.7·10⁻⁸, λ5.0·10⁻⁶ and R-parity violating parameter of minimal supersymmetric standard model ≤1.1·10⁻³. For neutrinoless modes with emission of one and two Majorons, the limits T1/2(0νM1)≥1.2·10²¹ y and T1/2(0νM2)≥2.4·10²⁰ y (90% C.L.) are determined. To advance these results to a level of the limit m_ν≤1–2 eV, the improved set-up with four enriched ¹¹⁶CdWO₄ crystals is in mounting low.     

Preliminary Study on Measurement of Magnetic Center of Quadrupoles Using Quadrupole Shunt for Hefei Storage Ring

The theoretical analysis of the DC K-modulation of quadrupole for the beam-based alignment method is presented. It is shown that the shift of the orbit,when the focussing strength of one quadrupole magnet is changed,can be described by the perturbed or unperturbed linear lattice parameters. The beam-based alignment system is constructed using DC K-modulation of quadrupole. In order to use the beam-based alignment method one must be able to individually adjust the strength of the quadrupole magnet. So,a switchable shunt resistor is installed on quadrupole to bypass 1%-2.5% magnet current and some solid-state relays are used to switch the shunt resistor in this beam-based alignment system. To improve the measurement accuracy,two methods are used. First method is that beam positions in measured quadrupole magnet are moved by local bump of beam closed orbit using the corrector magnets. Second method is that the root-mean-square of difference in closed orbit is fitted by a parabola function. The system can be not only used to position the beam in the magnetic center of quadrupoles,but also to measure the β function in quadrupole magnets. Some preliminary measurement results are given for Hefei 800MeV electron storage ring. These experimental results show that this system is valid to position the beam to the center of the quadrupole magnets and measure the β function at Hefei Light Source.     

The microwave spectrum, structure, chlorine nuclear quadrupole coupling constants, dipole moment, and centrifugal distortion constants of dichlorosilane

The microwave spectra of three isotopic species of dichlorosilane, SiH₂Cl₂, in its ground vibrational state, have been measured in the frequency region 8–40 GHz. The spectra have yielded values for the rotational constants, centrifugal distortion constants, and chlorine nuclear quadrupole coupling constants, as well as the molecular dipole moment, 1.13 ± 0.02 D. The molecule has C_2v symmetry, and the bond lengths and angles r(Si---Cl=2.033±Å, r(Si---H)=1.480±0.015Å, (Cl---Si---Cl)=109°43′±20±, (H---Si---H)=111°18′±40′ The centrifugal distortion constants have been compared with those calculated using a published force field.     

The Microwave Spectrum of m-Tolunitrile: Methyl Internal Rotation and N Nuclear Quadrupole Coupling

The microwave spectrum of m-tolunitrile (3-methylbenzonitrile, m-C₆H₄CH₃CN) has been investigated in the frequency range from 1 to 4 and 8 to 26.5 GHz. The spectra in the two lowest states of internal methyl rotation (m = 0, ±1) were recorded by means of pulsed molecular beam Fourier transform microwave (MB-FTMW) spectrometers. The interpretation of the spectra was based on an asymmetric frame–symmetric top Hamiltonian with inclusion of centrifugal distortion terms and first-order contributions from ¹⁴N nuclear quadrupole coupling. A least-squares analysis yielded the rotational constants A = 3295.9103(10) MHz, B = 1199.1188(2) MHz, C = 883.9223(1) MHz, all elements of the nuclear quadrupole coupling tensor χ_aa = −3.626(1) MHz, χ_bb = 1.684(1) MHz, χ_cc = 1.943(1) MHz, and χ_ab = −1.870(3) MHz, as well as the threefold barrier to internal rotation, V₃ = 14.2 cm⁻¹, and the angle between the internal rotor axis and the principal moment of inertia a axis, θ = 42.66°, using fixed values for the sixfold barrier term V₆ (−11 cm⁻¹) and the moment of inertia of the methyl top I_α (3.16 u Ų).     

Magnetization reversal asymmetry in Fe/MgO(0 0 1) thin films

We study the in-plane magnetization process in 200 Å Fe(0 0 1) thin films grown by sputtering at normal incidence. In spite of this growth geometry, a small uniaxial in plane magnetic anisotropy, whose origin is not totally understood, is found superimposed to the expected cubic biaxial one. This has a dramatic effect both on the reversal process and the domain structure. A combined longitudinal and transversal Kerr study shows the different switching processes (180° walls along the main easy axis versus 90° along the secondary easy axis) depending on the relative orientation of the magnetic field with respect to the Fe crystallographic axes. Remarkably, this two- and sometimes three-step switching process appears only when the field is applied along certain crystallographic directions. These findings are corroborated by domain observations.     

Al and Si MAS NMR investigations of cordierite glass, μ- and α-cordierite

²⁷Al and ²⁹Si Magic-Angle Spinning NMR results are reported for conventionally prepared glass of cordierite stoichiometry (2MgO · 2Al₂O₃ · 5SiO₂), the metastable high-quartz solid solution (μ-cordierite) and the high-temperature polymorph of cordierite (α-cordierite). Both, ²⁷Al two-dimensional (2D) quadrupole nutation experiments and ²⁷Al satellite transition spectroscopy (SATRAS) have been applied to identify two different tetrahedrally-coordinated aluminium sites (AlO₄). SATRAS has been used to extract the quadrupole interaction parameters and their distribution, the isotropic chemical shifts and the relative populations of the different Al sites. Both, the ²⁷Al and ²⁹Si NMR results, lead to the conclusion that a perfect Si/Al disorder does not exist in these investigated cordierite samples.     

Isovector deformation parameters and core polarization

Analysis of measurements of elastic and inelastic neutron scattering cross sections on ^{116,118,120,122,124}Sn are reported. The isovector and isoscalar quadrupole deformation parameters β₁ and β₀ are obtained in a set of isotopes from a comparison with published parameters from (p, p′) measureements. The relation β₁ > β₀ anticipated from shell model arguments is verified, and its value of about 2 is roughly the same magnitude predicted by the schematic model of core polarization by valence neutrons.     

Optimal design of a 7 T highly homogeneous superconducting magnet for a Penning trap

A Penning trap system called Lanzhou Penning Trap (LPT) is now being developed for precise mass measurements at the Institute of Modern Physics (IMP). One of the key components is a 7 T actively shielded superconducting magnet with a clear warm bore of 156 mm. The required field homogeneity is 3×10-7 over two 1 cubic centimeter volumes lying 220 mm apart along the magnet axis. We introduce a two-step method which combines linear programming and a nonlinear optimization algorithm for designing the multi-section superconducting magnet. This method is fast and flexible for handling arbitrary shaped homogeneous volumes and coils. With the help of this method an optimal design for the LPT superconducting magnet has been obtained.     

Passage of Fast Neutrons Through the Crystal Structure of Textured CVD Diamond

The passage of fast neutrons through the crystal structure of a textured diamond obtained by chemical vapor deposition (CVD diamond) is studied. Neutrons with an energy of 2.45 MeV from the DD reaction and with an average energy of about 2 MeV from the 252Cf isotope are used as neutron sources. The neutrons are detected by two independent methods: using proportional counters filled with 3Не and a paraterphenyl-based scintillation detector. The measurements show that the neutron-flux incident on the detector depends on the orientation of the target. In the case of isotropic samples containing diamond and carbon, such effects are not observed. A possible explanation for the effect is the channeling of deuterium ions and neutrons in channels of textured CVD diamond.     

Studies of parity and time reversal symmetries in neutron scattering from165Ho

We describe searches for parity and time reversal violations in the scattering of polarized neutrons from polarized and aligned¹⁶⁵Ho targets. We have completed a search with 7.1 and 11.0 MeV neutrons for P_oddT_odd terms in the elastic scattering forward amplitude of the form s. (I×K), wheres is the neutron spin,I is the target spin andk is the neutron momentum vector. The target was a single crystal of holmium, polarized horizontally along itsb axis by a 1 Tesla magnetic field. The neutrons were polarized vertically. Differences in the neutron transmission were measured for neutrons with spins parallel (antiparallel) toI×k. The P,T violating analyzing powers were found to be consistent with zero at the few 10⁻³ level: ρ_P,T(7.1 MeV)=−0.88 (±2.02) x 10⁻³, ρ_P,T(11.0 MeV)=−0.4 (±2.88) x 10⁻³. We have also attempted to find enhancements with MeV neutrons in P-violation due to the term s\k. We are preparing an aligned target cryostat for investigations of P_evenT_odd terms {bd(I\k)(I×k)\s} in neutron scattering. The target will be a single crystal cylinder of¹⁶⁵Ho cooled to 100 mK in a bath of liquid helium and rotated by a shaft from a room temperature stepping motor. The cylinder will be oriented vertically and the alignment (c) axis oriented horizontally. Warming or rotation of the sample allows one to separate effects that mimic the sought-after time reversal violating term.     

Correlation between Variations in the Number of Neutrons in the Atmosphere and in the Intensities of the Atmospheric Ozone Lines

We compare the data on the atmospheric radio emission in two ozone lines with resonance frequencies 96,228 and 101,736 MHz, obtained at the N. I. Lobachevsky State University of Nizhny Novgorod in 1996–2001, with the corresponding results of measuring the number of neutrons in the atmosphere, obtained at the Institute of Terrestrial Magnetism, Ionosphere, and Radio Wave Propagation (Troitsk, Moscow region) using the NM-64 monitor. It is shown that variations in both the optical depth and the intensity ratio of these lines correlate with variations in the number of neutrons. The maximum observed correlation coefficients for the optical-depth decrements of the lines amount to 0.5–0.6, which is about a factor of 1.5 higher than the maximum correlation coefficient for their intensity ratio. We analyze the dependence of the correlation coefficients on the time shift between data series for the ozone line intensity and the number of neutrons in the atmosphere. It is shown that correlation between these data series almost vanishes for a time shift of about 200 h. We discuss the features of the data on the number of neutrons in the atmosphere and the possibility of the solar origin of neutrons.     

H DNP at 1.4 T of Water Doped with a Triarylmethyl-Based Radical

Recently a triarylmethyl-based (TAM) radical has been developed for research in biological and other aqueous systems, and in low magnetic fields, 10 mT or less, large ¹H dynamic nuclear polarization (DNP) enhancements have been reported. In this paper the DNP properties of this radical have been investigated in a considerably larger field of 1.4 T, corresponding to proton and electron Larmor frequencies of 60 MHz and 40 GHz, respectively. To avoid excessive microwave heating of the sample, an existing DNP NMR probe was modified with a screening coil, wound around the sample capillary and with its axis perpendicular to the electric component of the microwave field. It was found that with this probe the temperature increase in the sample after 4 s of microwave irradiation with an incident power of 10 W was only 16°C. For the investigations, 10 mM of the TAM radical was dissolved in deionized, but not degassed, water and put into a 1-mm i.d. and 6-mm long capillary tube. At 26°C the following results were obtained: (I) The relaxivity of the radical is 0.07 (mMs)⁻¹, in accordance with the value extrapolated from low-field results; (II) The leakage factor is 0.63, the saturation factor at maximum power is 0.85, and the coupling factor is −0.0187. It is shown that these results agree very well with an analysis where the electron–dipolar interactions are the dominant DNP mechanism, and where the relaxation transitions resulting from these interactions are governed by translational diffusion of the water molecules. Finally, the possibilities of combining DNP with magnetic resonance microscopy (MRM) are discussed. It is shown that at 26°C the overall DNP-enhanced proton polarization should become maximal in an external field of 0.3 T and become comparable to the thermal equilibrium polarization in a field of 30 T, considerably larger than the largest high-resolution magnet available to date. It is concluded that DNP MRM in this field, which corresponds to a standard microwave frequency of 9 GHz, has the potential to significantly increase the sensitivity in NMR and MRI experiments of small aqueous samples doped with the TAM radical.     

Theory of enhanced dynamical photo-thermal bi-stability effects in cuprous oxide/organic hybrid heterostructure

We theoretically demonstrate the formation of multiple bi-stability regions in the temperature pattern on the interface between a cuprous oxide quantum well and DCM2:CA:PS organic compound. The Frenkel molecular exciton of the DCM2 is brought into resonance with the 1S quadrupole Wannier-Mott exciton in the cuprous oxide by “solvatochromism” with CA. The resulting hybrid is thermalized with the surrounding helium bath. This leads to strongly non-linear temperature dependence of the laser field detuning from the quadrupole exciton energy band which is associated with the temperature-induced red shift of the Wannier exciton energy. A numerical up- and down-scan for the detuning reveals hysteresis-like temperature distribution. The obtained multiple bi-stability regions are at least three orders of magnitude bigger (meV) than the experimentally observed bi-stability in bulk cuprous oxide (μeV ). The effective absorption curve exhibits highly asymmetrical behavior for the Frenkel-like (above the 1S energy) and Wannier-like (below the 1S energy) branches of the hybrid.     

Investigations on the scattering of α-particles on Li

Excitation functions of α-scattering on ⁷Li leading to the ground and first excited states have been measured in the bombarding energy regions 8.6–12.5 MeV and 17.0–22.5 MeV at c.m. scattering angles of 54.2°, 72.4° and 89.8°. A systematic deviation from smooth behaviour is revealed which, because of its regularity, is attributed to the exchange of a triton cluster between two α-particles.     

上海软X射线自由电子激光束流准直

上海软X射线自由电子激光装置（SXFEL）对束流发射度增长的幅度有着较为严格的限制,传统的光学准直已经不能满足其要求。采用基于束流的准直方法可以实现更为精密的准直,使得直线加速器的准直误差进一步降低,以满足自由电子激光装置的要求。通过对不同条件下束流位置检测器（BPM）测得的数据采用最小二乘法算法进行计算分析,可以计算得到四极磁铁和BPM的准直误差,进而进行束流准直和轨道校正。基于以上原理,计算了各种元件误差对轨道和发射度造成的影响,同时基于Matlab平台设计了控制软件,模拟结果表明轨道偏离量可减少一个数量级。     

Influence of Bonner sphere response functions above 20 MeV on unfolded neutron spectra and doses

Monte Carlo (MC) codes for neutron transport calculations such as MCNP, MCNPX, FLUKA, PHITS, and GEANT4, crucially rely on cross sections that describe the interaction of neutrons with nuclei. For neutron energies below 20 MeV, evaluated cross sections are available that are validated against experimental data. In contrast, for high energies (above 20 MeV) experimental data are scarce and, for this reason, every neutron transport code is based on theoretical nuclear models to describe interactions of neutrons with nuclei in matter. Here we report on the calculation of a complete set of response functions for a Bonner spheres spectrometer (BSS), by means of GEANT4 using the Bertini and Binary Intranuclear Cascade (INC) models for energies above 20 MeV. The recent results were compared with those calculated by MCNP/LAHET and MCNP/HADRON MC codes. It turns out that, whatever code used, the response functions were rather similar for neutron energies below 20 MeV, for all 16 detector/moderator combinations of the considered BSS system. For higher energies, however, differences of more than a factor of 2 were observed, depending on neutron energy, detector/moderator combination, MC code, and nuclear model used. These differences are discussed in terms of neutron fluence rates measured at the environmental research station (UFS), “Schneefernerhaus”, (Zugspitze mountain, Germany, 2650 m a.s.l.) for energies below 0.4 eV (thermal neutrons), between 0.4 eV and 100 keV (epithermal neutrons), between 100 keV and 20 MeV (evaporation neutrons), and above 20 MeV (cascade neutrons). In terms of total neutron fluence rates, relative differences of up to 4% were obtained when compared to the standard MCNP/LAHET results, while in terms of total ambient dose equivalent, relative differences of up to 8% were obtained. Both the GEANT4 Binary INC and Bertini INC gave somewhat larger fluence and dose rates in the epithermal region. Most relevant for dose, however, those response functions calculated with the GEANT4 Bertini INC model provided about 18% less neutrons in the cascade region, which led to a roughly 13% smaller contribution of these neutrons to ambient dose equivalent. It is concluded that doses from secondary neutrons from cosmic radiation as deduced from BSS measurements are uncertain by about 10%, simply because of some differences in nuclear models used by various neutron transport codes.