利用中子散射探索生命世界中的物理奥秘

中子散射是利用入射中子与原子核发生碰撞以后中子动量与能量的改变来研究微观世界的一种技术。由于中子对氢原子的散射截面远大于其他元素的独特属性,使得中子散射在研究包含大量氢元素的生物大分子的结构以及动力学特性方面都有卓越的应用。文章对中子散射在生物方面的应用进行了探讨,重点介绍了中子衍射、结合衬度变换技术的小角中子散射、准弹性/非弹性中子散射和中子自旋回波技术,以及它们在研究生物大分子结构、动力学及其功能方面的应用。最后对中子散射未来在生命科学中探索新的物理现象进行了探讨和展望。     

氮化铀热中子截面的第一性原理计算

氮化铀（UN）因其较好的热物性和耐事故容错性成为先进动力堆的候选燃料,但目前热能区缺少可靠的UN热中子截面数据,这对于热中子反应堆物理计算是很不利的.本文基于量子力学的第一性原理,利用VASP/PHONON软件模拟计算了UN的声子态密度,以此为积分得到UN的定容比热容,并基于新制作的声子态密度,采用核截面处理程序NJOY/LEAPR,利用热中子散射理论,得到UN的S（α,β）数据,进而研究UN的热中子散射截面,并与传统压水堆的二氧化铀（UO₂）进行对比.结果表明：优化的晶格参数与数据库符合较好,UN声子态密度的声子项和光子项较UO₂的分隔更加明显,定容比热容计算结果与实验值一致,基于该声子态密度计算得到的UN中²³⁸U的非弹性散射和弹性散射截面比相同温度下UO₂中²³⁸U小,UN中N仅考虑了非相干散射部分,随着温度升高,UN弹性散射截面变小,非弹性散射变大,并在高能段趋于自由核散射截面.本文的研究结果填补了UN热中子截面数据的缺失,为下一步系统研究UN燃料在轻水堆中的中子学性能奠定了基础.     

Parity non-conservation effects in neutron elastic scattering reactions

Energy dependence of parity non-conservation effects is derived for neutron elastic scattering on nuclei: emission asymmetry and the rotation of the polarization plane for the polarized neutron beam and longitudinal polarization for unpolarized neutrons. Both potential scattering and scattering through the compound-nucleus resonances (multi-level approximation) are taken into account. The expressions obtained are compared with experimental data on thermal neutron scattering.     

中国先进研究堆中子科学平台发展现状及展望

依托中国先进研究堆(CARR)高通量中子源,建成了初具规模的中子科学平台,具备中子散射、中子成像和中子活化分析等多种研究技术。其中,中子散射技术包括中子衍射、小角中子散射及中子反射、非弹性中子散射,可以用于分析材料微观结构和动力学性质;热中子成像和冷中子成像可以用于材料内部缺陷等无损检测;中子活化分析系统可以用于物质内核素成分分析。目前已建成和在建中子谱仪共计19台,并初步配备了样品环境装置,为相关应用研究提供了条件基础,可为我国物理、化学、材料科学、生命科学、能源和环境等领域基础研究及工业应用提供重要技术支撑。CARR中子科学平台始终坚持合作共享对外开放的宗旨,将继续为国内外用户提供优质中子技术,服务基础科学前沿和国家重大创新需求研究。     

Estimation of the cross section of neutron scattering by spin waves in thin ferromagnetic layers

Inelastic neutron scattering by magnetic excitations in thin ferromagnetic films has not been observed so far owing to the small cross section of the interaction of neutrons with spin waves. To increase the probability of inelastic magnetic scattering, it has been proposed to implement three-layer structures in which the neutron wave functions exhibit resonant enhancement in a ferromagnetic layer. The cross section of neutron scattering by spin waves in the regime of the resonant enhancement of the neutron wave function has been estimated.     

Lattice dynamics of Nb3Sn at 300 K

The phonon dispersion curves have been calculated from a microscopic model for Nb₃Sn at 300 K and are in good agreement with the available inelastic neutron scattering data. The calculated phonon density of states exhibits the essential features of the experimental results obtained by incoherent inelastic neutron scattering.     

The application of quasi-elastic neutron scattering techniques (QENS) in surface diffusion studies

Neutron scattering techniques such as quasi-elastic neutron scattering, QENS, have proven to be well-suited tools for studying structure and dynamics of surface adsorbed molecules. In contrast to many more widely used surface science techniques neutron scattering allows the microscopic characterization of samples under a wide range of thermodynamic conditions, as the samples are not constrained to ultra high vacuum environment. Moreover, neutron scattering allows the separation of coherent and incoherent scattering, giving access to different diffusive mechanisms such as single particle diffusion, mass transport, rotations, or vibrations. In this paper we will review recent progress and the state-of-the-art in neutron scattering experiments on surface adsorbed molecules in the sub-monolayer coverage range with a specific emphasis on studies of carbon and other high surface density substrates. We will also cover recent progress in theoretical modeling, since the usefulness of neutron scattering data on surface dynamics can be strongly enhanced by computational modeling, such as molecular dynamics (MD) simulations and the development of analytical models.     

On the detection of nuclear spin waves by inelastic neutron scattering

The possibility of measuring nuclear spin waves (NSW) by inelastic neutron scattering is discussed. The differential cross section and scattered state polarization for the scattering of thermal neutrons from systems described by the Suhl-Nakamura Hamiltonian are developed in the Van Hove correlation function formalism; the relevant correlation functions for the Suhl-Nakamura system are computed. The implications of these calculations for the feasibility of detecting nuclear spin wave modes in neutron scattering experiments are discussed.     

中子与63,65Cu反应的理论计算

根据中子与天然Cu及其同位素反应的总截面, 去弹截面和弹性散射角分布的实验数据, 得到中子的光学模型势参数; 应用得到的光学模型势参数, 光学模型, 统一的Hauser-Feshbach和激子模型理论, 以及扭曲波玻恩近似理论, 系统计算和分析了中子与^63,65Cu反应的非弹散射角分布和双微分截面, 理论结果与实验很好的一致.     

非弹性中子散射在稀土钙钛矿研究中的应用

中子散射技术在科学研究中应用的重要性、独特性源自于中子本身的一些基本物理特点：带自旋、不带电荷、与原子核直接发生强相互作用、恰当的质量使其色散关系与一般物质内部的原子振动和磁性振动的元激发相当,以及可用于无损探测的强穿透性等。这些特点决定了中子散射探测技术在科学研究中无可替代的重要地位。经过多年发展,中子散射技术已经成为研究凝聚态物理中材料晶体结构以及磁结构的主要手段。此外由于中子的能量与物质中的元激发,如声子,磁振子等能量相当,中子散射也是研究物质动力学性质不可替代的关键技术。对于磁性材料来说,非弹性中子散射不仅可以研究对称性破缺下磁有序相的自旋波激发,而且可以直接探测无对称性破缺情况下的自旋关联。这对于研究磁阻挫等量子磁体中新奇的量子化自旋激发尤其重要。文章将主要介绍两种常用的非弹性散射谱仪,并结合最近在稀土钙钛矿结构体系中的具体应用,尤其是低维稀土自旋链中的分数化自旋子的激发,重点介绍非弹性散射技术的特色。     

Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene

Data of small-angle neutron scattering by a diluted solution of stearic acid in deuterated benzene have been analyzed using the results of molecular dynamics simulation. The molecular dynamics simulation approach has been used to calculate the time-averaged distribution of the neutron scattering length density at the interface between the acid molecule and the solvent. It has been shown that the organization of the solvent at the interface with the acid molecule leads to a modulation of the neutron scattering length density and makes a significant contribution to the scattering. This contribution should be taken into account when interpreting the experimental small-angle neutron scattering curves for both the considered system and its analogues.     

Measurement of cross sections for inelastic cold-neutron scattering in metals and polymers by the method of (<Emphasis Type="Italic">n, γ</Emphasis>) analysis

The results obtained by measuring the cross sections for the inelastic scattering of very cold neutrons for a number of metals and polymers by the method of a neutron-irradiation analysis are presented. The method is based on simultaneously measuring events of inelastic scattering and neutron capture in the sample under investigation via recording gamma radiation with a semiconductor germanium detector. Neutron capture by a nucleus of the sample is accompanied by the prompt radiation of gamma rays having a known spectrum. Upon inelastic scattering, a neutron acquires thermal energy. Upon leaving the sample, this neutron is absorbed in a special converter that contains the isotope ¹⁰B. The capture of the neutron by a ¹⁰B nucleus is followed by the emission of a 477-keV gamma ray. The probabilities of capture and inelastic scattering are proportional to the respective neutron-interaction cross sections, and the ratio of the recorded detector counts corresponding to events of the two types does not depend on the spectrum of the incident flux of very cold neutrons or on the trajectory of neutron motion in the sample. The sought inelastic-scattering cross section at a fixed sample temperature is calculated by using this ratio and the known cross section for neutron capture by the sample isotope having a known gamma-radiation spectrum.     

Experiments with neutron polarization analysis

Neutron polarization analysis experiments of the past 25 years are reviewed. In that time the technique has progressed from a curiosity to being a useful tool to be used when needed. In early experiments, the polarization of the scattered beam was analysed in the same direction as the polarization of the incident beam but, in some later experiments, full three-dimensional polarization analysis has been employed. This article starts by writing down the interactions which the neutron has with condensed matter and deriving the cross-sections for scattering and final polarizations of the scattered beam. This is done displaying the spin state functions of the neutron explicitly. A variety of experiments is then reviewed, commencing with the elastic and inelastic scattering experiments performed by Moon, Riste and Koehler in the late 1960s. Elastic scattering experiments where it is important to separate nuclear and magnetic cross-sections such as antiferromagnetic defect scattering are reviewed together with separation out of the nuclear spin scattering for various purposes. Of particular interest are the fully three-dimensional analysis experiments which reveal more about the structure and domain populations of certain antiferromagnets. Inelastic experiments for which polarization analysis is vital are those on paramagnets at high temperatures where it is necessary to discriminate against phonon scattering. Spin glasses are treated as frozen paramagnets. Polarization analysis also has another role to play in the separation of magnetic modes in both paramagnets and ordered magnets, and several of these experiments are reviewed. Finally it is possible to tag the polarization of a neutron beam in time and space and to measure the result at another time and place and this through various techniques yields information about the change in neutron energy on scattering. The techniques of pseudo-random flipping time of flight, neutron spectral modulation and neutron spin-echo spectroscopy are briefly reviewed but the techniques of polarized-neutron-beam management are left to another review.     

Magnetization distribution in magnetic films studied with Larmor-encoding

Additional information about the magnetization distribution in magnetic films is obtained with a 3D-polarimetry set-up. A pilot experiment was performed with the neutron polarization aligned perpendicular to the surface of a Fe-film in a magnetic field parallel to its surface. The Larmor-precession in the magnetic field between two current sheets was used to adjust the neutron polarization perpendicular to the sample surface. This new polarization-magnetization configuration was probed with a Fe-film in specular and off-specular scattering. The off-specular scattering is created by the magnetic domain structure of the Fe-film in remanence. The results of specular and off-specular scattering are reproduced by calculations for the configuration of the incoming neutron polarization parallel to the sample surface and the magnetic field and for the configuration of the incoming neutron polarization perpendicular to the sample surface and the magnetic field.     

中子与90,91,92,94Zr反应的理论计算和分析

根据中子与天然Zr及其同位素反应的总截面,去弹截面和弹性散射角分布的实验数据,得到一组普适的光学模型势参数;应用得到的光学模型势参数,光学模型,Hauser-Feshbach理论,预平衡反应的激子模型和扭曲波玻恩近似理论,系统计算和分析了中子与^90,91,92,94Zr反应的非弹散射角分布和双微分截面,理论结果与实验很好的一致.     

Atomic and superatomic structures of solid solutions of zirconium and calcium oxides

Solid solutions of the ZrO₂-CaO system with 7, 9.6, and 20 mol % of calcium oxide are analyzed by X-ray and neutron diffraction and small-angle neutron scattering. Samples are synthesized by the sol-gel method and annealed at the temperature T = 600°C for 4 h. All samples have a tetragonal structure (P4₂/nmc space group). The size of crystallites is 10–20 nm. Small-angle neutron scattering curves are characterized by a peak near the momentum transfer q = 0.5 nm⁻¹. The existence of the peak is caused by correlation between solid nanoparticles in the samples. Density correlation functions are numerically computed from the experimental small-angle scattering cross-sections by the inverse Fourier transform. Correlation lengths, concentrations of scattering nanoparticles, and specific surface areas of the samples are determined.     

241Am-Be中子参考辐射的蒙特卡罗模拟研究

研究用于校准场所中子剂量监测仪表的241Am-Be中子参考辐射场计量特性。采用蒙特卡罗方法模拟了空气自由中子参考辐射(FRNR),GB/T 14055规定的最小尺寸中子参考辐射(SRNR)和实际中子参考辐射(ARNR)中不同检验点处中子周围剂量当量率、散射中子占比和能谱分布特征。研究结果表明,空气对FRNR中的剂量率和能谱分布影响小,近似为理想中子参考辐射;采用5%含硼聚乙烯作屏蔽的最小尺寸SRNR可减少热中子,降低散射中子占比,影锥法不适用于小尺寸中子参考辐射中对散射中子的修正;ARNR中的散射中子更少、占比更低,影锥法所得散射中子占比与理论值基本一致。     

Resonances and off-specular scattering in neutron waveguides

Off-specular neutron scattering from layered resonant systems has been studied. As an example, tri-layer neutron waveguides have been investigated experimentally by neutron reflectometry. In such systems, the neutron wave function is strongly localized in the guiding layer. The resonant states in the total reflection region lead to enhanced off-specular scattering from the interface roughness. The relation between the resonant states and off-specular scattering is discussed.     

The discrete ordinates method for anisotropic scattering in the neutron transport theory: The critical sphere problem

The spherical harmonics method for anisotropic scattering in the neutron transport theory related to the critical sphere problem was investigated by Yildiz [The spherical harmonics method for anisotropic scattering in neutron transport theory: the critical sphere problem. JQSRT 2001;71:25-37]. Some numerical results and figures that they provided are incorrect. The correct numerical results for the critical radius are obtained and tabulated for different scattering parameters by using the discrete ordinates method.