热化数据处理功能研究与Thermc模块研发

热能区入射中子能量变化范围是110-5~5 eV,在这一范围内的中子能量与反应堆内材料靶核热运动的能量相当,中子与靶核的反应过程与其他能区截然不同。在该能区,需要考虑中子与堆内材料发生散射时,化学键、晶格结构以及分子热运动对反应过程的显著影响,对不同类型的材料,需要使用不同的理论方法和处理手段得到供输运程序使用的热化数据。基于热化数据处理的相关理论,研究了热中子散射数据的处理方法,同时在自主研发核数据处理软件RXSP中,开发了相应的核数据处理模块Thermc。在此基础上,使用Thermc模块基于ENDF/BVII.1核数据库加工得到热中子散射数据,经过与经典核数据处理软件NJOY的相应结果的微观比较以及若干宏观基准题检验,热化数据精度与准确性得到充分验证。     

Structural studies on urethane elastomers

A number of techniques have been used to study structural organization and transitions in polyether- and polyester-based urethane elastomers. Scanning thermal methods reveal three characteristic transitions common to samples of varying composition, namely, the major glass transition and two higher transitions believed due to disruption of different types of hydrogen bonding. Other transitions are assigned to melting of ester and of urethane crystallites. Light-scattering measurements on turbid polyether-based samples indicate both isotropic and anisotropic contributions to scattered intensity, the latter reflecting structural ordering on a small scale. X-Ray diffraction studies of stress-induced crystallization in the polyetherbased elastomer show reflections attributed to crystallites of polyether segments. It is concluded that separation into a domain structure occurs in both types of elastomers, but to a higher degree in the polyether-based polymers than in the polyester-based polymers, possibly due to restrictions in the latter imposed by interaction of the ester and urethane groups.     

A study of the structure and scattering mechanisms of subterahertz phonons in lithium fluoride single crystals and optical ceramics

The methods of optical, electron, and atomic force microscopy (AFM) are applied to the study of the real structure of optical lithium fluoride ceramic obtained by hot deformation of single crystals. A comparative analysis is carried out of the scattering mechanisms of weakly nonequilibrium thermal phonons at liquid helium temperatures in LiF single crystals and ceramics. It is demonstrated that the phonon scattering in the original single crystals is determined by the forced vibrations of dislocations in the stress field of an elastic plane wave (a phonon), i.e., by the flutter mechanism. As the degree of deformation of the original material increases, the ceramics exhibit a change in the plastic deformation mechanisms, which leads to a decrease in the average size of grains and to an ordered structure. In this case, the dominant scattering is that by intergrain boundaries. The thickness and the acoustic impedance of these boundaries are evaluated.     

Multiphonon atomic scattering by solid surfaces

A multiphonon solution for the problem of atom-surface scattering at thermal energies is proposed. The scattering equations are solved using the assumption of low inelastic scattering intensities, and the theoretical formalism is basically an improvement of a previous work on one-phonon scattering. Present results reduce to the one-phonon expression of the previous work when the appropriate limit is taken.     

Inelastic phonon interactions at solid–graphite interfaces

The presented model predicts thermal boundary conductance at interfaces where one material comprising the junction is characterized by high elastic anisotropy. In contrast to previous approaches, the current methodology accounts for contributions from inelastic scattering through consideration of multiple-phonon interactions. Inelastic contributions become significant as the temperature, as well as the degree of acoustic mismatch between the materials, increases. Inclusion of the inelastic interactions is necessary for a variety of interfacial systems including the metal–graphite boundary examined here. Improvement is shown over existing approaches that address only elastic scattering as both three- and four-phonon interactions significantly augment the transport.     

Multiple scattering theory for slow neutrons (from thermal to ultracold)

The general theory of neutron scattering is presented, valid for the whole domain of slow neutrons from thermal to ultracold. Particular attention is given to multiple scattering which is the dominant process for ultracold neutrons (UCN). For thermal and cold neutrons, when the multiple scattering in the target can be neglected, the cross-section is reduced to the known value. A new expression for inelastic scattering cross-section for UCN is proposed. Dynamical processes in the target are taken into account and their influence on inelastic scattering of UCN is analyzed. Received 21 July 1999     

多通道石墨纳米带中弹性声学声子输运和热导特性

采用非平衡格林函数方法, 在保持总的能量输出通道中石墨链数不变的条件下, 研究并比较了并列的石墨纳米带通道中弹性声学声子输运和热导特性. 结果表明, 能量输出通道的增加能降低每个能量输出通道的热导; 与能量输入热库最近的能量输出通道热导最大, 最远的能量输出通道热导最小; 中间能量输出通道的热导性质与并列的各输出通道的结构参数密切相关, 最近和最远的能量输出通道的热导性质仅与各自能量输出通道的结构参数有关; 粗糙边缘结构能有效调节各通道的热导; 总的热导性质与能量输出通道石墨链数、能量输出通道数以及边缘结构粗糙程度密切相关.     

The structure and thermal motion of simple liquids—I

The characteristics of the liquid state are discussed qualitatively in terms or the forces between molecules, and their thermal motion. Experimental methods available for studying structure and thermal motions on a microscopic scale are outlined.

In particular the relation of the static pair distribution function to neutron and x-ray scattering is considered and the general features of the results presented.     

Correlation between luminescent properties and structure organization in AlGaN/GaN superlattices annealed after erbium ion implantation

The evolution of the structure organization of MOCVD-grown AlGaN/GaN superlattices subjected to erbium ion implantation with an energy of 1 MeV and dose of 3 × 10¹⁵ cm^?2 and subsequent annealing is correlated with their photoluminescent properties. The structure organization is quantitatively estimated using parameter Δ (degree of violation of local symmetry), which is found via multifractal analysis of surface morphology patterns obtained with atomic force microscopy. It is shown that the implantation not only causes Ga segregation on the surface, but also changes the structure organization, which shows up in the finer grain structure compared with the starting one and disordering, as well as in an increase in Δ. As the annealing temperature rises from 700 to 800°C, Δ declines, indicating that the structure organization is improved, and the intensity of the dominating photoluminescence peak due to Er³⁺ ions (1.542 μm) grows. With a further increase in the annealing temperature to 1050°C, the structure organization degrades, domains get larger, voids 100–200 nm deep form, and the photoluminescence intensity drops. The formation of voids during high-temperature annealing is also substantiated by data for 230-keV proton scattering. It is thus established that the improvement of the superlattice structure organization activates erbium and causes the erbium-ion-related luminescence intensity to grow.     

Phonon transport in isotope-disordered carbon and boron-nitride nanotubes: is localization observable?

We present an ab initio study which identifies dominant effects leading to thermal conductivity reductions in carbon and boron-nitride nanotubes with isotope disorder. Our analysis reveals that, contrary to previous speculations, localization effects cannot be observed in the thermal conductivity measurements. Observable reduction of the thermal conductivity is mostly due to diffusive scattering. Multiple scattering induced interference effects were found to be prominent for isotope concentrations > or approximately 10%; otherwise, the thermal conduction is mainly determined by independent scattering contributions of single isotopes. We give explicit predictions of the effect of isotope disorder on nanotube thermal conductivity that can be directly compared with experiments.     

Stimulated thermal scattering induced by two-photon absorption and experimental observation of stimulated Brillouin scattering in the UV region

An analysis of the results of previous studies of stimulated scattering of UV pulses in liquids has shown that they disagree with the theory of stimulated scattering. To resolve the inconsistency, stimulated scattering of XeCl excimer laser radiation (λ = 308 nm) with pulse duration τ ≈ 8 ns in liquid hexane is investigated experimentally. A theoretical analysis of the results obtained revealed a new nonlinear optical phenomenon: stimulated thermal scattering induced by the heating due to two-photon absorption, called two-photon stimulated thermal scattering (two-photon STS-2). The stimulated backscatter spectrum contains a previously unknown line corresponding to two-photon STS-2 and a newly discovered SBS line in the UV region. The line is observed in experiment on liquid hexane and is characterized by the frequency shift Ω_B = 0.33 cm^?1 relative to the pump wavelength λ = 308 nm, in complete agreement with the theory of stimulated Brillouin scattering (SBS). The spectral line called the SBS line in previous studies has a frequency shift much smaller than that predicted by the SBS theory and must be interpreted as an unshifted two-photon STS-2 line. When two-photon STS-2 is used to obtain a phase-conjugate wave, the phase-conjugation fidelity is lower than that achieved by using SBS because of thermal self-action and slow decay of the thermal grating.     

Measurements of structure-induced polarization features in forward scattering from collections of cylindrical fibers

Many applications in remote sensing, material sciences and biomedical field are characterized by a transition domain between single scattering and multiple-scattering regimes. This regime is described by typical polarization features which can be used to retrieve structural information. An electronically agile technique was used for measuring in real time the Stokes vectors of light incident on and emerging from an inhomogeneous medium. Subsequently, the Mueller matrix associated with the scattering medium is determined. We focus our attention on forward scattering from systems consisting of random as well as partially oriented long cylindrical fibers. We discuss the effects of: (1) shape of individual scattering centers, (2) structure parameter, and (3) optical density of the scattering medium. The anisotropic behavior of the structure function at different packing fractions determines nontrivial characteristics of the polarization transfer. The complex effective index of refraction can be polarization dependent as a result of the optical anisotropy due to both the shape of the individual scatterers and the structure characteristics of the scattering system. Some of the Mueller matrix elements are shown to be related to the optical anisotropy of the system for the case of long cylindrical fibers. The polarization efficiency, the structure parameter, and the packing fraction are used to quantify this relationship. We also found that some of the matrix elements are more sensitive to the degree of structural anisotropy and the packing fraction, while other elements are sensitive to structural non-uniformities across the investigated area.     

MODEL COMPARISON FOR ACOUSTIC SCATTERING BY A SPHERICAL AIR BUBBLE IN WATER

The oscillation of a bubble has many vibrational modes, contributing to different portions in acoustic scattering. Without approximations a priori, an hydrodynamic approach is applied to investigate acoustic scattering by a bubble in water, taking into account the heat exchange and viscosity. The scattering function is derived for a wide range of frequencies. Examples are shown to illustrate the thermal and viscous effects on sound scattering. Comparison is made with three existing models. While these models are known not to be applicable for high frequencies, it is shown here that even in the low-frequency region, there are also noticeable discrepancies between the exact solution and the three existing models with regard to the scattering properties such as the scattering cross-section, and the quality factor of resonant peaks. By numerical simulation, we claim that the discrepancies may be due to the incomplete consideration of the thermal exchange process in the previous models. The approach presented here is valid for any other fluid enclosure in liquids.     

含双T形量子结构的量子波导中声学声子输运和热导

采用散射矩阵方法, 研究了含双T形量子结构的量子波导中声学声子输运和热导性质. 结果表明: 在极低温度, 双T形量子结构能增强低温热导; 相反地, 在相对较高的温度范围, 双T形量子结构能降低低温热导. 而在整个低温范围内, 增加散射区域最窄处的宽度能增强低温热导. 计算结果表明可以通过调节含双T形量子结构的量子波导结构来调控声子的输运概率和热导. 关键词： 声学声子输运 热导 量子结构     

Scattering theory of gilbert damping

The magnetization dynamics of a single domain ferromagnet in contact with a thermal bath is studied by scattering theory. We recover the Landau-Liftshitz-Gilbert equation and express the effective fields and Gilbert damping tensor in terms of the scattering matrix. Dissipation of magnetic energy equals energy current pumped out of the system by the time-dependent magnetization, with separable spin-relaxation induced bulk and spin-pumping generated interface contributions. In linear response, our scattering theory for the Gilbert damping tensor is equivalent with the Kubo formalism.     

Study of thermal conductivity and specific heat of amorphous and partially crystalline poly(ethylene terephthalate) in relation to its structure

The thermal conductivity k(T) and the specific heat of amorphous and partially crystalline polyethylene terephthalate) were measured in the intervals 1.2–40K and 1.2–10K, respectively. For a quantitative study of the relation between the thermal conductivity and the structure and degree of crystallinity of the samples their small angle X-ray scattering was measured. For T > 20 K, k(T) increases with increasing degree of crystallinity φ, whereas for T < 10 K, k(T) decreases when φ increases. Amorphous PET shows a temperature dependence of k(T) which is typical for all amorphous materials. These results are compared with curves which were computed from experimental small angle structure functions using a model for phonon scattering in vitreous systems obtained by Klemens. It is shown that for T < 10 K the change in conductivity in the partially crystalline samples relative to that of the purely amorphous sample can quantitatively be explained by additional scattering of phonons from static long-range order fluctuations of the sound velocity which are due to the microscopic structure of the polymer. From a measurement of the optical extinction of the samples relative values of their thermal conductivity at 50 mK are estimated. The specific heat obeys a T³-law between 1.2 K and about 7 K and decreases linearly with φ. The Debye specific heat of the amorphous sample was computed from the sound velocities. It is only 85% of the measured value.     

碰撞对低频模受激散射的影响

从包括能量方程的Braginskii方程出发,讨论了低频模对电磁波的受激散射问题。求得了阈值和增率。除了多一个热模散射之外,发现布里渊散射也与过去的理论结果不同。 关键词：     

The effect of normal phonon-phonon scattering processes on the maximum thermal conductivity of isotopically pure silicon crystals

The effect of normal phonon-phonon scattering processes on the thermal conductivity of silicon crystals with various degrees of isotope disorder is considered. The redistribution of phonon momentum in normal scattering processes is taken into account within each oscillation branch (the Callaway generalized model), as well as between different oscillation branches of the phonon spectrum (the Herring mechanism). The values of the parameters are obtained that determine the phonon momentum relaxation in anharmonic scattering processes. The contributions of the drift motion of longitudinal and transverse phonons to the thermal conductivity are analyzed. It is shown that the momentum redistribution between longitudinal and transverse phonons in the Herring relaxation model represents an efficient mechanism that limits the maximum thermal conductivity in isotopically pure silicon crystals. The dependence of the maximum thermal conductivity on the degree of isotope disorder is calculated. The maximum thermal conductivity of isotopically pure silicon crystals is estimated for two variants of phonon momentum relaxation in normal phonon-phonon scattering processes.     

Multiple small-angle neutron scattering for an arbitrary value of the born parameter

Computer calculations are made of the intensity of multiple small-angle neutron scattering using the general Moliére formula [8] over a wide range of variation of the Born parameter, embracing the diffraction and refraction regimes, and a transition region between diffraction and reflection. A comparison is made with approximate formulas obtained earlier by Maleev et al. [9, 10] in the limiting cases of the Born parameter α ? 1 and α ? 1 for the diffraction and refraction regimes, respectively. It is shown that over a wide range of values of α the results of the calculations using the approximate and general formulas are the same. The theoretical conclusions were checked experimentally using data from measurements of small-angle neutron scattering for the domain structure of ferromagnets. Measurements were made of the neutron beam broadening for samples of different thickness and these were used to determine the effective domain sizes in pure iron and nickel exposed to thermal treatment and plastic deformation, and also in the Invar alloys Fe⁶⁵Ni³⁵and Fe³Pt. An analysis is made of the angular dependence of magnetic small-angle neutron scattering at the asymptote.     

Light scattering by homogeneous and multilayer ellipsoids in the quasi-static approximation

The quasi-static approximation for homogeneous and multilayer ellipsoidal particles is considered in detail. Expressions for the elements of the amplitude scattering matrix, as well as for the absorption and scattering cross sections, are presented for an arbitrary orientation of the particles relative to the incident radiation. The accuracy and the domain of applicability of the approximation are investigated for the elements of the scattering matrix of absorbing particles. Comparison of some approximate and exact methods showed that the quasi-static approximation gives good results (it is substantially more preferable than the Rayleigh and Rayleigh-Gans approximations), if the ratio of the largest size of a particle (or the boundaries of the main layer) to the smallest one does not exceed ～3. A new rule of the effective medium theory for multilayer ellipsoidal particles is proposed, which adequately takes into account their structure.