Storage of ultracold neutrons in vessels whose walls are made from graphite,fluorine polymer oil,or heavy-water ice

The possibility of attaining the calculated probabilities of the losses of ultracold neutrons (UCN) stored in vessels whose walls are made from graphite, fluorine polymer oil, or heavy-water ice is tested experimentally. It is found that UCN hitting the walls of a graphite vessel undergo additional inelastic scattering not predicted by the theory. It is shown that this scattering may be due to the presence of surface hydrogen that provides a channel of UCN leakage slightly varying with temperature. For vessels whose walls are coated with fluorine polymer oil, additional inelastic UCN scattering is also observed and is found to be efficiently suppressed with decreasing temperature. The experimentally observed and calculated values of the probabilities of UCN losses are shown to be in good agreement for vessels whose walls are made from heavy-water ice.     

Multiple scattering theory in condensed materials

Second-order elliptic differential equations (such as the time-independent single particle Schrödinger equation) may be solved in a finite closed disjoint region of space independently of the rest of space. The solution in all space may then be determined by solving the equations in the exterior region together with boundary conditions at the junction of the two regions. These boundary conditions are determined by the previously found interior solution. This means that such regions may be taken as ‘black boxes’ whose exact details do not matter. The simplest example of this is phase-shift scattering theory from a single scatterer where all the scattering properties are described by the phase shifts, and the exact details of the scattering potential are unimportant. In a macroscopic condensed system, however, there are many core regions and one is really concerned with the multiple scattering which takes place between these different scattering centres. Much of this article is devoted to investigating the formal properties of scattering theory when there are many non-overlapping spherical regions of radius R _M, each of which is described by its own scattering matrix, or, equivalently for a spherically symmetric potential, by its phase shifts. Non-spherically symmetric and spin-dependent potentials are permitted, but for simplicity we assume initially that the interstitial region between each disjoint scattering region has zero potential. The generalization of the multiple scattering formalism for non-zero interstitial potential is also given at a later stage.

It is shown that in such a system a generalized T-matrix may be defined which describes the radiation from one of the core regions when another one has been excited. It is then a many channel T-matrix in which the channels are the different disjoint scattering regions. It is shown that the formal properties of this T matrix are the same as for a normal T matrix. In § 2 we review the properties of ordinary scattering theory, and then in § 3 we show that analogous properties for the generalized T matrix hold. An exact expression for the density of particle eigenstates is derived in terms of the positions and scattering matrices of the individual scattering centres. This expression reduces to the standard KKR band structure equation for the infinite regular lattice. We also consider how to construct the density of eigenstates and the charge density for such a system. These latter quantities may be approached in two different ways: the usual way is to consider the scattering material to occupy all space, but from a multiple scattering viewpoint one must consider the total volume of condensed material to be small compared with all space, even if both limit to infinity. It is not obvious that the latter method leads to the same results as the former (formally the density of eigenvalues is identical to the free electron density of eigenvalues in the latter method) and it is shown how the differences in the two approaches are resolved. We also discuss the expansion of some of these results for a perfect lattice. While the usual expansions are pseudo-potential expansions, a manifestly ‘on-energy shell’ expansion is derived which does not contain the arbitrary parameters of the pseudo-potential expansions. Finally, in § 4, we review the most significant contributions of other authors to the theory of multiple scattering.     

Determination of the Scattering Amplitudes of Schrödinger Operators from the Cross-Sections,a New Approach

In this Letter we show how the scattering amplitudes of nonrelativistic one-particle Schrödinger operators with a scalar (not necessarily rotation invariant) potential may be obtained from the scattering cross-sections for the system where a scalar potential is added and whose scattering amplitudes are known explicitly.     

Cu(100)表面上H2/D2散射的六维态-态量子动力学研究：位点平均模型的有效性

基于由optPBE-vdW密度泛函计算的数千个数据点拟合得到的精确的神经网络势能面,本文采用含时波包方法对H₂/D₂在刚性Cu(100)表面上的态-态散射进行了六维量子动力学计算. 与以往的理论和实验比较了H₂和D₂在Cu(100)中的振转(非)弹性散射的结果. 特别是通过将六维的(非)弹性散射几率与从十五个位点加权平均四维几率的结果比较,测试了在该体系中位点平均近似模型的有效性. 具体来说,位点平均模型很好地重现了振动弹性散射几率,尽管对于高能下的振动非弹性散射结果没那么好. 结果说明在未来研究重双原子或多原子分子从金属表面的态-态散射动力学时,可以使用位点平均模型来降低全维计算过高的成本.     

Comparing some nucleon-nucleon potentials

The aim is to compare a few Nucleon-Nucleon (NN) potentials especially Reid68, Reid68-Day, Reid93, UrbanaV14, ArgonneV18, Nijmegen 93, Nijmegen I and Nijmegen II. Although these potentials have some likenesses and are almost phenomenological, they include in general different structures and their own characteristics. The potentials are constructed in a manner that fit NN scattering data or phase shifts and are compared in this way. A high-quality scale of a potential is that it fits the data with χ²/N _data ≈ 1, describes well the deuteron properties and gives satisfactory results in nuclear-structure calculations. However, these scales have some failures. Here, we first compare many potentials by confronting them with the data. Then, we try to compare the potential forms by considering the potential structures directly and therefore regarding their substantial bases somehow. To do so, we note that since the potentials are written in different schemas, it is necessary to write them in a unique schema. On the other hand, because three major terms in the NN interaction are central, tensor and spin-orbit terms; so, to perform a reduction plan and arrive at a common structure, we choose the Reid’s potential form. Next, we compare the potentials for some states and address some other related issues as well.     

A quantum wavepacket study of three-dimensional Ne—H+ 2 scattering

The state-to-state and state-to-all reaction probabilities have been calculated for three-dimensional reactive and inelastic scattering of Ne + H⁺ ₂ (v = 0, j = 0, 1, 2) at zero total angular momentum. The time-dependent Schrödinger equation is solved by means of Fourier grid and discrete variable representation techniques. The inelastic and reactive scattering probabilities for a broad range of energies are calculated. Although the system has an open reactive channel, the results show that a high fraction of the flux is reflected back due to endoergicity and potential barriers leading to inelastic scattering.     

原子-振子散射振转激发跃迁几率的理论计算

在相互作用表象中,利用角动量耦合理论,导出了原子-振子散射的含时量子计算公式,并计算了He-H₂体系的振转激发态-态跃迁几率和分散射截面。结果表明:(1)相互作用表象波函数在坐标空间中具有较高的定域性,随时间演化几乎不变形,因此在计算散射量时具有很高的精度,与标准的密耦合(CC)法的计算结果符合很好;(2)增加的振动部分对计算时间的影响取决于对一势能矩阵的积分,而在该积分中仅含基态的计算就能给出较为理想的散射截面,与CC法相比节省近一倍的计算时间。 关键词：     

Analytical Solution of Partial-Wave Faddeev Equations with Application to Scattering and Statistical Mechanical Properties

In this work, the Faddeev equations for three-body scattering at arbitrary angular momentum are exactly solved and the transition matrices for some transition processes, including scattering and rearrangement channels are formulated in terms of free-particle resolvent matrix. A generalized Yamaguchi rank-two nonlocal separable potential has been used to obtain the analytical expressions for partial wave scattering properties of a three-particle system. The partial-wave analysis for some transition processes in a three-particle system is suggested. The partial-wave three-particle transition matrix elements have been constructed via knowledge of the matrix elements of the free motion resolvent. The calculation of a number of scattering properties of interest of the system such as transition matrix and its poles (bound states and resonances) and consequently other related quantities like scattering amplitudes, scattering length, phase shifts and cross sections are feasible in a straightforward manner. Moreover, we obtain a new analytical expression for the third virial coefficient in terms of three-body transition matrix.     

Analytical Solution of Partial-Wave Faddeev Equations with Application to Scattering and Statistical Mechanical Properties

In this work, the Faddeev equations for three-body scattering at arbitrary angular momentum are exactly solved and the transition matrices for some transition processes, including scattering and rearrangement channels are formulated in terms of free-particle resolvent matrix. A generalized Yamaguchi rank-two nonlocal separable potential has been used to obtain the analytical expressions for partial wave scattering properties of a three-particle system. The partial-wave analysis for some transition processes in a three-particle system is suggested. The partial-wave three-particle transition matrix elements have been constructed via knowledge of the matrix elements of the free motion resolvent.The calculation of a number of scattering properties of interest of the system such as transition matrix and its poles(bound states and resonances) and consequently other related quantities like scattering amplitudes, scattering length,phase shifts and cross sections are feasible in a straightforward manner. Moreover, we obtain a new analytical expression for the third virial coefficient in terms of three-body transition matrix.     

Remarks on Two-Slit Probabilities

The probability pattern emerging in two-slit experiments is a typical quantum feature whose essential ingredients are examined by translating them into the spin- formalism. In view of the existence of extensions of quantum theory preserving some classical structure, we discuss how the two-slit probabilities behave under such extensions. We consider a generalization of the standard classical probability theory, to be called operational probability theory, that turns out to host the so called quantum probabilities.     

Cross sections of electron capture and electron capture ionization versus the impact parameter in collisions of a proton with multielectron atoms

The absolute differential cross sections of scattering of hydrogen atoms resulting from an electron capture and an electron capture ionization are measured for collisions of 4.5- and 11-keV protons with argon and xenon atoms. The range of scattering angles is 0°–2°. From the scattering differential cross section found experimentally, the probabilities of single-electron capture and electron capture ionization as a function of the impact parameter are calculated. The dependences of the incident particle scattering angle on the impact parameter (deviation function) for interactions with Ar and Xe atoms are calculated in terms of classical mechanics using the Moliére—Yukawa potential to describe the interaction of atomic particles. Analysis is given to the probabilities of electron capture and electron capture ionization versus the impact parameter and to the distribution of the electron density on different electron shells in a target atom versus a distance to the core. It is concluded that only electrons from the outer shell of the target atom are involved in the process of electron capture ionization. The cross section of electron capture ionization is calculated in the proton energy range 5–20 keV.     

Riemann-Hilbert approach and N double-pole solutions for a nonlinear Schrödinger-type equation

We investigate the inverse scattering transform for the Schrödinger-type equation under zero boundary conditions with the Riemann-Hilbert (RH) approach. In the direct scattering process, the properties are given, such as Jost solutions, asymptotic behaviors, analyticity, the symmetries of the Jost solutions and the corresponding spectral matrix. In the inverse scattering process, the matrix RH problem is constructed for this integrable equation base on analyzing the spectral problem. Then, the reconstruction formula of potential and trace formula are also derived correspondingly. Thus, N double-pole solutions of the nonlinear Schrödinger-type equation are obtained by solving the RH problems corresponding to the reflectionless cases. Furthermore, we present a single double-pole solution by taking some parameters, and it is analyzed in detail.     

Stationary phase method and delay times for relativistic and non-relativistic tunneling particles

The stationary phase method is frequently adopted for calculating tunneling phase times of analytically-continuous Gaussian or infinite-bandwidth step pulses which collide with a potential barrier. This report deals with the basic concepts on deducing transit times for quantum scattering: the stationary phase method and its relation with delay times for relativistic and non-relativistic tunneling particles. After reexamining the above-barrier diffusion problem, we notice that the applicability of this method is constrained by several subtleties in deriving the phase time that describes the localization of scattered wave packets. Using a recently developed procedure - multiple wave packet decomposition - for some specifical colliding configurations, we demonstrate that the analytical difficulties arising when the stationary phase method is applied for obtaining phase (traversal) times are all overcome. In this case, we also investigate the general relation between phase times and dwell times for quantum tunneling/scattering. Considering a symmetrical collision of two identical wave packets with an one-dimensional barrier, we demonstrate that these two distinct transit time definitions are explicitly connected. The traversal times are obtained for a symmetrized (two identical bosons) and an antisymmetrized (two identical fermions) quantum colliding configuration. Multiple wave packet decomposition shows us that the phase time (group delay) describes the exact position of the scattered particles and, in addition to the exact relation with the dwell time, leads to correct conceptual understanding of both transit time definitions. At last, we extend the non-relativistic formalism to the solutions for the tunneling zone of a one-dimensional electrostatic potential in the relativistic (Dirac to Klein-Gordon) wave equation where the incoming wave packet exhibits the possibility of being almost totally transmitted through the potential barrier. The conditions for the occurrence of accelerated and, eventually, superluminal tunneling transmission probabilities are all quantified and the problematic superluminal interpretation based on the non-relativistic tunneling dynamics is revisited. Lessons concerning the dynamics of relativistic tunneling and the mathematical structure of its solutions suggest revealing insights into mathematically analogous condensed-matter experiments using electrostatic barriers in single- and bi-layer graphene, for which the accelerated tunneling effect deserves a more careful investigation.     

Dynamics of image-potential states on stepped Cu(001) surfaces

The dynamical properties of image-potential states on stepped Cu(117) and Cu(118) surfaces were studied by time- and angle-resolved two-photon photoelectron spectroscopy. The interaction with the step-induced potential leads to quasielastic anisotropic scattering between image-potential-state bands. In particular, resonant interband scattering from image-potential states with quantum numbers n2 to the n=1 band and quasielastic intraband scattering within the n=1 band show high efficiency. In spite of the higher step density of Cu(117), resonant scattering is about four times larger on Cu(118). This distinction is attributed to the different step distributions of the two surfaces and to the concomitant correlation of the step arrangement on short- and long-range scales, which has been studied by scanning tunneling microscopy. Details of the surface band structure lead to different boundary conditions and may weakly affect scattering probabilities. PACS 73.20.At; 79.60.Bm; 79.60.Dp; 79.60.Ht     

Structural and electronic properties of Na/Cu(111) at different coverages by first principles

Nanostructures are presently enjoying an increasing interest in the field of materials science. In particular, importance is given to ordered monolayers prepared by deposition of atoms on a crystalline surface. The growth of these superlattices can be controlled so as to obtain an ordered structure by means of the lateral interaction of adatoms lying on the metal surface. The objective of our study is to investigate the structural and electronic properties using DFT total-energy calculations; we employ a jellium-like model to describe the substrate but we also take into account the presence of discrete surface states that are known to affect the lateral interaction. Our treatment of the substrate is based on the model proposed by E.V. Chulkov et al. [Surf. Sci. 437, 330 (1999)]; in this model one constructs a mono-dimensional potential so as to reproduce some important electronic properties of the metal surface, such as i) the energy gap in the projected bulk band-structure and ii) the energy position of surface states. We put into practice Chulkov potential implementing into an existing plane-waves code (ABINIT, URL http://www.abinit.org) an ionic potential, so as to obtain a self-consistent Kohn-Sham effective potential which corresponds to the Chulkov one. Using this effective potential in a fully three-dimensional code we are able to study the adsorption process and the interaction between adsorbates. We illustrate some details of our implementation of the Chulkov model and we present our results about the simple system of Na adatoms on a Cu(111) surface for different coverages. In particular, we compare electronic properties and adsorption energies with those obtained within a standard jellium model substrate and with those obtained for Na adsorption on a realistic Cu(111) surface.     

Analogues of Non-Gibbsianness in Joint Measures of Disordered Mean Field Models

It is known that the joint measures on the product of spin-space and disorder space are very often non-Gibbsian measures, for lattice systems with quenched disorder, at low temperature. Are there reflections of this non-Gibbsianness in the corresponding mean-field models? We study the continuity properties of the conditional probabilities in finite volume of the following mean field models: (a) joint measures of random field Ising, (b) joint measures of dilute Ising, (c) decimation of ferromagnetic Ising. The conditional probabilities are functions of the empirical mean of the conditionings; so we look at the large volume behavior of these functions to discover non-trivial limiting objects. For (a) we find (1) discontinuous dependence for almost any realization and (2) dependence of the conditional probabilities on the phase. In contrast to that we see continuous behavior for (b) and (c), for almost any realization. This is in complete analogy to the behavior of the corresponding lattice models in high dimensions. It shows that non-Gibbsian behavior which seems a genuine lattice phenomenon can be partially understood already on the level of mean-field models.     

Geometrical theory of diffracted rays, orbiting and complex rays

In this article, the ray tracing method is studied beyond the classical geometrical theory. The trajectories are here regarded as geodesics in a Riemannian manifold, whose metric and topological properties are those induced by the refractive index (or, equivalently, by the potential). First, we derive the geometrical quantization rule, which is relevant to describe the orbiting bound-states observed in molecular physics. Next, we derive properties of the diffractive rays, regarded here as geodesics in a Riemannian manifold with boundary. A particular attention is devoted to the following problems: (i) modification of the classical stationary phase method suited to a neighborhood of a caustic; (ii) derivation of the connection formulas which enable one to obtain the uniformization of the classical eikonal approximation by patching up geodesic segments crossing the axial caustic; (iii) extension of the eikonal equation to mixed hyperbolic-elliptic systems, and generation of complex-valued rays in the shadow of the caustic. By these methods, we can study creeping waves in diffractive scattering, describe the orbiting resonances present in molecular scattering beside the orbiting bound-states, and, finally, describe the generation of evanescent waves, which are relevant in the nuclear rainbow. “Lumen propagatur seu diffunditur non solum directe, refracte ac reflexe, sed etiam alio quodam quarto modo, diffracte.” Francesco Maria Grimaldi (Physico-Mathesis de lumine, coloribus, et iride, aliisque adnexis libri duo; Bononiae 1665)     

Radiative transfer in stochastically inhomogeneous media

New radiative transfer theory is developed for stochastically inhomogeneous scattering media. The three-dimensional shapes and large scale (compared to the mean free path) structures of the media are modeled by stochastic interfaces separating regions of different scattering properties. The small scale fluctuations are characterized by a pair-correlation function. The radiative transfer equation is extended to include individual scattering and propagation probabilities of a ray for each subregion as well as the probability for a ray to cross the interface between two subregions. The propagation probability is found to depend on the entire preceding path of the ray; the present formulation accounts for the two previous scatterings. A new adding/doubling algorithm is developed to solve this problem numerically. Transmission through a cloud layer and backward scattering seem to be particularly sensitive to inhomogeneities.