Peculiarities of the correlation functions, X-ray and neutron scattering in BaTiO3

Based on molecular-dynamics (MD) simulations, we have calculated the static and dynamic correlation functions in a BaTiO₃ crystal. The static correlation functions have been used to study the peculiarities of diffuse scattering in barium titanate showing the experimentally observed anomalous planes. Based on time-dependent pair correlation functions, we have calculated the phonon spectra of BaTiO₃ and studied the central peak of inelastic scattering. The phonon frequencies calculated by the MD method agree well with those obtained previously in the quasi-harmonic approximation. We show that the central peak of inelastic scattering is associated mainly with the soft optic mode and has the same symmetry. The large anisotropy in the displacements of atoms in the soft mode allows the presence of peculiarities in both X-ray scattering and EXAFS spectroscopy to be explained. The characteristic shape of the EXAFS spectra is shown to be explained by the quasi-one-dimensional motion of the oxygen ions in the cubic lattice of BaTiO₃. Our calculation of triple correlation functions shows that the titanium atom in the described model oscillates around the cubic cell center. Explaining the experimental data that have caused disagreement about the nature of the phase transition in BaTiO₃ using the developed model gives grounds to treat the phase transition in barium titanate as a displacive one.     

Effect of quadrupole and octopole vibrations of206Pb on the 1j 15/2 neutron particle state of207Pb

The quadrupole as well as the octopole vibrational states of²⁰⁶Pb are coupled to the 2g _9/2, 1i _11/2 and 1j _15/2 neutron states to explain the fragmentation of 1j _15/2 state in²⁰⁷Pb as observed in the²⁰⁶Pb(d,p) reaction. The structures of weak fragmented 1j _15/2 states are deduced through the particle-core coupling scheme.     

Study of clusters and hypernuclei production with the NICA/MPD experiment

Heavy-ion collisions provide the unique possibility to create and investigate hot and dense matter in the laboratory. At the initial stage of the reaction a QGP is formed, while the final stage is driven by the hadronization process and the formation of clusters. The capture of the produced hyperons by clusters of nucleons leads to the hypernuclei formation which is a very rare process at strangeness threshold energies. We report on the first results on the dynamical modeling of cluster formation with the combined PHSD + SACA (Parton–Hadron–Strings dynamics + Simulated Annealing Clusterization Algorithm) model at Nuclotron and NICA energies. The clusters selection in SACA is realized by a simulated annealing procedure to obtain the most bound configuration of fragments and nucleons. Based on present predictions of the combined model we study the possibility to detect such clusters and hypernuclei in the NICA/MPD detector.     

The influence of solar flares on the near-Earth space radiation environment in March and April 2013: Possibilities of operational monitoring

This paper deals with the operational analysis of the influence of solar flares, which produced solar cosmic rays, on the near-Earth radiation environment in space during the period from March 1 to April 18, 2013.     

Investigation of the 208Pb(18O, f) fission reaction: Mass-energy distributions of fission fragments and their correlation with the gamma-ray multiplicity

The mass-energy distributions of fragments originating from the fission of the compound nucleus ²²⁶Th and their correlations with the multiplicity of gamma rays emitted from these fragments are measured and analyzed in ¹⁸O + ²⁰⁸Pb interaction induced by projectile oxygen ions of energy in the range E _lab = 78–198.5 MeV. Manifestations of an asymmetric fission mode, which is damped exponentially with increasing E _lab, are demonstrated. Theoretical calculations of fission valleys reveal that only two independent valleys, symmetric and asymmetric, exist in the vicinity of the scission point. The dependence of the multiplicity of gamma rays emitted from both fission fragments on their mass, M_γ(M), has a complicated structure and is highly sensitive to shell effects in both primary and final fragments. A two-component analysis of the dependence M_γ(M) shows that the asymmetric mode survives in fission only at low partial-wave orbital angular momenta of compound nuclei. It is found that, for all E _lab, the gamma-ray multiplicity M_γ as a function of the total kinetic energy (TKE) of fragments, M_γ(TKE), decreases linearly with increasing TKE. An analysis of the energy balance in the fission process at the laboratory energy of E _lab = 78 MeV revealed the region of cold fission of fragments whose total kinetic energy is TKE ～Q _max.     

Prompt neutron and gamma-ray yields in fission induced in Pu by resonance neutrons: Existence of the (n, γf) reaction

Fluctuations of the fission neutron multiplicity and prompt γ-ray energy have been measured for resonance neutron induced fission of ²³⁹Pu below 110 eV. An observed anticorrelation between fluctuations of these two parameters is attributed to the role of the (n, γf) reaction.     

Supersymmetries of the spin-1/2 particle in the field of magnetic vortex, and anyons

The quantum non-relativistic spin-1/2 planar systems in the presence of a perpendicular magnetic field are known to possess the N = 2 supersymmetry. We consider such a system in the field of a magnetic vortex, and find that there are just two self-adjoint extensions of the Hamiltonian that are compatible with the standard N = 2 supersymmetry. We show that only in these two cases one of the subsystems coincides with the original spinless Aharonov-Bohm model and comes accompanied by the super-partner Hamiltonian which allows a singular behavior of the wave functions. We find a family of additional, nonlocal integrals of motion and treat them together with local supercharges in the unifying framework of the tri-supersymmetry. The inclusion of the dynamical conformal symmetries leads to an infinitely generated superalgebra, that contains several representations of the superconformal osp(2∣2) symmetry. We present the application of the results in the framework of the two-body model of identical anyons. The nontrivial contact interaction and the emerging N = 2 linear and nonlinear supersymmetries of the anyons are discussed.     

X-ray and neutron powder diffraction study of the monoclinic perovskites Sr2MSbO6 (M=In, Y)

The structures of the perovskites Sr₂InSbO₆ and Sr₂YSbO₆ have been investigated by X-ray and neutron powder diffraction. Both compounds are of monoclinic distortion, space group P2₁/n, with the lattice parameters related to that of the ideal cubic-perovskite (a_p) by a_p, c≈2a_p and β≈90°. The distortions that occur in Sr₂InSbO₆ and Sr₂YSbO₆ can be viewed as due to the octahedral tilts around both the two-fold [110]_p- and the four-fold [001]_p-axis of the cubic aristotype with the oxygen's shifted away from the In/Y(III) ions towards the Sb(V) ions, creating an ordered arrangement of the alternating InO₆/YO₆ and SbO₆ octahedra.     

TiO2颗粒尺寸对染料敏化太阳电池内电子输运特性影响研究

采用强度调制光电流谱(IMPS)和强度调制光电压谱(IMVS)研究了染料敏化太阳电池(DSC)内部电子传输和背反应动力学特性.在纳米TiO₂薄膜厚度相同的情况下,借助于IMPS/IMVS测量了由3种不同TiO₂颗粒尺寸大小薄膜制备出DSC的电荷传输特征参数值.IMPS/IMVS理论模型拟合实验测量数据的结果表明：在不同入射光强下,随着颗粒尺寸的增大,电子扩散系数(D_n)增大,而电子寿命(τ_n 关键词： 染料敏化 太阳电池 IMPS/IMVS 电子传输     

HL-1M装置弹丸和分子束加料的粒子输运研究

研究了IL-1M装置上弹丸和分子束加料的粒子输运。在研究粒子输运时拟合了粒子源分布,利用调制送气模型研究了分子束送气时的粒子输运。由弹丸注入后较长时间内密度的自然衰减研究了粒子输运,给出了一种简单的研究弹丸注入后粒子输运的方法。计算表明,分子束和弹丸注入改善了等离子体的粒子输运特性。将计算结果与实验测量进行了比较。     

Characterization of alloy composition in Ga1-xAlxAs/GaAs structures: comparison of photovoltage, X-ray, SIMS and RHEED techniques

A comparative study of techniques for the characterization of alloy composition in Ga_1-xAl_xAs/GaAs single and multilayer structures has been carried out. Good agreement (x ± 0.015) is demonstrated between double-crystal X-ray diffraction and photovoltage spectroscopy measurements using the generally accepted calibration of Casey and Panish. A slightly modified form of the band gap versus composition curve is presented which further improves the agreement to x±0.005. Profiling conditions achieving linear SIMS Al profiles are reported, yielding compositions in agreement with PVS and X-ray within x+-0.01 (when calibrated at a single composition). A systematic discrepancy between results from the above techniques and in-situ RHEED oscillation measurements is reported.     

On the evolution of the ground state in the system U x La 1 - x S: Polarized neutron diffraction and X-ray magnetic circular dichroism study

In the U_xLa_1-xS system there is an abrupt loss of the long-range ferromagnetic ordering found in pure US at a critical concentration x _c ∼ 0.57, which is far above the percolation limit. As the magnetic ground state in such a system can be strongly affected by small variations of the 5f localization, we have investigated a set of samples with different x by polarized neutron diffraction and X-ray magnetic circular dichroism (XMCD). The neutron results are consistent with early measurements performed on pure US. Even at the lowest U content (x = 0.15, below x _c ) the shape of the induced form factor (f ( Q )) is comparable with that found for x = 1 and is well reproduced by either a U⁴⁺ or a U³⁺ state. The ratio between the orbital and the effective spin moments in the XMCD measurements confirms this result, but the evolution of the shape at the M₅ edge suggests an abrupt change in the distribution of the electrons (holes) in the 5 f density of states around x _c . Received 31 January 2001     

Am原子及其离子Amq+(q=1~6)的K,L,M-X射线跃迁能和跃迁几率的理论研究(英文)

使用基于Dirac-Hartree-Fock方法的Grasp2K程序包,计算了Am原子及离子的K,L,M-X射线的跃迁能和跃迁速率。在计算中,包括了Breit相互作用、真空极化和自能等重要效应。目前研究结果与已有的其他实验和理论结果相对误差约为0.04%。此外,我们还首次计算了从Am1+到Am6+离子的K,L,M-X射线的跃迁能和跃迁速率。相对于中性原子,来自低离化态的跃迁能相对于中性的相应跃迁线的能量仅有轻微的偏移,这反映出外层电子几乎不影响内壳层的跃迁性质。Transition energies and rates of K, L, and M X-ray lines from electric-dipole transition of americium have been calculated using GRASP2K code based on the Dirac-Hartee-Fock method. The effects of the Breit interaction, vacuum polarization and self energy were taken into account. It is found that the present results agree within 0.04% with other experimental and theoretical values. Furthermore, we also calculated transition energies and rates of the K-, L-, and M-shell hole states of americium ions with charge states Am1+-Am6+ for the first time. It is found that the transition energies and rates change slightly relative to the corresponding results of americium atoms, which indicates that the outermost electrons can hardly affect inner-shell transition properties.     

Study on phase separation in a-SiOx for Si nanocrystal formation through the correlation of photoluminescence with structural and optical properties

The phase separation in amorphous silicon suboxide (a-SiO_x) films upon thermal annealing for the formation of light emitting silicon nanocrystals (Si-NCs) was studied through the correlation of photoluminescence (PL) and photoluminescence excitation (PLE) with structural and optical properties. The PL and PLE features and the structural and optical properties show a strong dependence on the annealing process and reveal that the precipitation of the excess Si in a-SiO_x and the formation of Si-NCs from the precipitated Si are two separate processes which should be distinguished in the phase separation in a-SiO_x. They proceed at different temperatures and the formation of Si-NCs is a slow process compared with the precipitation of the excess Si. The nanocrystal size and size distribution evolve with annealing time at the initial stages and are mainly dependent on annealing temperature for a certain O content in the initial a-SiO_x with the density of the formed Si-NCs increasing with longer annealing duration.     

Using simple particle shapes to model the Stokes scattering matrix of ensembles of wavelength-sized particles with complex shapes: possibilities and limitations

We investigate to what extent the full Stokes scattering matrix of an ensemble of wavelength-sized particles with complex shapes can be modeled by employing an ensemble of simple model shapes, such as spheres, spheroids, and circular cylinders. We also examine to what extent such a simple-shape particle model can be used to retrieve meaningful shape information about the complex-shaped particle ensemble. More specifically, we compute the Stokes scattering matrix for ensembles of randomly oriented particles having several polyhedral prism geometries of different sizes and shape parameters. These ensembles serve as proxies for size-shape mixtures of particles containing several different shapes of higher geometrical complexity than the simple-shaped model particles we employ. We find that the phase function of the complex-shaped particle ensemble can be accurately modeled with a size distribution of volume-equivalent spheres. The diagonal elements of the scattering matrix are accurately reproduced with a size-shape mixture of spheroids. A model based on circular cylinders accurately fits the full scattering matrix including the off-diagonal elements. However, the modeling results provide us with only a rough estimate of the effective shape parameter of the complex-shaped particle ensemble to be modeled. They do not allow us to infer detailed information about the shape distribution of the complex-shaped particle ensemble.     

Study of the quasi two-dimensional CoxNi1-xTa2O6 compounds by X-ray diffraction and magnetic susceptibility measurements

We report results on the structural and magnetic properties of the Co_xNi_1−xTa₂O₆ series of compounds by X-ray powder diffraction, magnetic susceptibility and magnetization measurements. X-ray refinements carried out by the Rietveld method show that these compounds crystallize in a P4₂/mnm tetragonal structure. Magnetic susceptibility curves show a broadened maximum witnessing that these compounds exhibit two-dimensional antiferromagnetic behaviors. All the Co_xNi_1−xTa₂O₆ compounds order below 10 K and present a large ion anisotropy. The magnetic properties have been determined in both the paramagnetic and antiferromagnetic state. In the hypothesis of two dimensional AF ordering, the near neighbor exchange constants (J₁) and the next near neighbor exchange constants for two different paths (J₂ and J'₂) were determined. The composition dependence of the magnetic properties including ordering temperature, exchange constants and anisotropy factors are discussed. The drastic reduction of the ordering temperature for x=0.20 for Co_xNi_1−xTa₂O₆, suggest the hypothesis of a peculiar magnetic behavior for this composition.     

Investigation on the Hard X-ray Radiations of the IR-T1 Tokamak Plasma: Electric and Magnetic Perspectives

In this experiment, the effect of magnetohydrodynamic (MHD) fluctuations in the hard X-ray radiation from the IR-T1 tokamak plasma is investigated. To reach this goal, the main parameters of plasma such as plasma current and loop voltage are measured. Also, the rake and poloidal Langmuir probes are used to calculate the radial and poloidal electric fields. To detect the hard X-ray radiation, a NaI-scintillator detector is used. To study on the MHD fluctuations, an array of 12 Mirnov coils is used. The obtained data are analyzed by using the singular value decomposition (SVD) algorithm. The wavelet spectrum of the dominant principal components of Mirnov coils is drawn. The results of wavelet and SVD analysis show that the hard X-ray radiation is increased with increasing the fluctuations of the dominant principal components (at the same time). It is also shown that the rate of hard X-ray radiation emitted from the tokamak plasma increased with increasing the MHD fluctuations. The energy of the system is wasted and reduced by these radiations. This an increase in the particle pressure of the plasma.