粉晶X射线衍射法在岩石学和矿物学研究中的应用

X射线衍射是测定物质结构的主要分析手段,广泛应用于物理学、化学、医药学、金属学、材料学、工程技术学、地质学和矿物学。文章综述了粉晶X射线衍射法在造岩矿物、黏土矿物、岩组学、类质同象和结晶度的测定等领域发挥的重要作用。随着测量技术的发展,粉晶X射线衍射在矿物结晶过程中的研究、矿物表面研究、矿物定量相分析和矿物晶体结构测定方面均有新的应用。     

阿尔金北缘岩石变形机制——来自X光组构分析的证据

对阿尔金北缘地区变形蚀变花岗岩、花岗质糜棱岩、变形酸性火山岩和变形英安质凝灰岩中石英和绢云母2种矿物进行X光岩石组构分析,认为本区岩石变形比较明显,宏观面理近于东西向展布,绢云母变形较强,平行于面理定向排列;而石英以底面或近底面滑移为主,部分样品兼有柱面Ⅰ型滑移和柱面Ⅱ型滑移,反映本区岩石变形机制为中浅层次的脆-韧性变形(10~15km、250~350℃、0.25~0.40GPa)。通过岩石组构特征与宏观面理产状,推断本区韧性变形以右行运动为主,与板块碰撞在阿尔金北缘大平沟地区产生的韧性变形带特征一致。     

Raman scattering and X-ray diffraction study of the thermal decomposition of an ettringite-group crystal

 A Raman scattering and X-ray diffraction study of the thermal decomposition of a naturally occurring, ettringite-group crystal is presented. Raman spectra, recorded with increasing temperature, indicate that the thermal decomposition begins at ≈55 °C, accompanied by dehydration of water molecules from the mineral. This is in contrast to previous studies that reported higher temperature breakdown of ettringite. The dehydration is completed by 175 °C and this results in total collapse of the crystalline structure and the material becomes amorphous. The Raman scattering results are supported by X-ray diffraction results obtained at increasing temperatures. Received: 9 July 2001 / Accepted: 14 August 2002     

Structural properties of (Mn1-x Fe x )Nb2O6 columbites from X-ray diffraction and IR spectroscopy

A suite of (Mn_1-x Fe _x )Nb₂O₆ (x=0, 0.05, 0.25, 0.50, 0.75, 1) columbite samples has been prepared by solid-state reaction from oxides. X-ray diffraction and spectroscopic investigations have been carried out in order to gain different perspectives on how the solid solution adapts at different length scales to cation mixing. X-ray powder diffraction and powder absorption IR spectroscopy data are presented. The powder diffraction data show that there is no significant excess volume of mixing on the Fe–Mn columbite join. All the unit-cell parameters decrease linearly as a function of increasing Fe content. Substitution of Fe²⁺ for the larger Mn²⁺ cation causes a decrease in the volume of the A polyhedron, which also becomes more regular with respect to both bond-length and edge-length distortion parameters. No significant variation of the B site has been observed. Wavenumber shifts of the IR peaks nearly all vary linearly with composition, consistent with linear variations of the lattice parameters. Line broadening has been quantified by autocorrelation analysis of the IR spectra. This is interpreted as suggesting that there is some element of local strain or positional disorder at the length scale of second or third nearest neighbours around sites occupied by Fe.     

原位磁化X射线粉末衍射法测还原铁粉的微观磁致伸缩系数

首次报导X射线粉末衍射法测量铁粉晶胞的磁致伸缩系数。还原铁粉样品原位磁化后 ,铁立方晶胞产生磁致伸缩效应 ,晶胞参数的变化引起衍射峰位置和晶面间距的变化。实验测得铁晶胞λ1 0 0 为 3 .3 3× 10 - 4,此结果表明铁晶胞的微观磁致伸缩系数比棒状、薄膜或粉末压片的系数大约 16倍。对此现象进行了合理的理论解释 ,指出大块材料中的粉末多晶之间具有较大的空隙 ,从而使得宏观磁致伸缩系数变小     

试谈利用科技手段鉴别古玉器

鉴别古玉的真伪,传统的方法主要是通过玉器的加工工艺、艺术风格(器型、文饰等)等时代特征来加以确认.然而,现代科技发展使古玉仿制已达到以假乱真的地步,仅凭经验难以做出有说服力的判断,需要借助科学仪器的帮助.本文通过对一兽面环的鉴定为例,用传统的宝石学测试,再经现代科学仪器、X射线衍射分析,经JCPDF检索,两者结合,最终得出了准确的结论.     

Directional dependence of P- and S-wave propagation and polarization in foliated rocks from the Kola superdeep well: Evidence from laboratory measurements and calculations based on TOF neutron diffraction

We have measured P- and S-wave velocities on two amphibolite and two gneiss samples from the Kola superdeep borehole as a function of pressure (up to 600 MPa) and temperature (up to 600 °C). The velocity measurements include compressional (Vp) and shear wave velocities (Vs1, Vs2) propagating in three orthogonal directions which were in general not parallel to inherent rock symmetry axes or planes. The measurements are accompanied by 3D-velocities calculations based on lattice preferred orientation (LPO) obtained by TOF (Time Of Flight) neutron diffraction analysis which allows the investigation of bulk volumes up to several cubic centimetres due to the high penetration depth of neutrons. The LPO-based numerical velocity calculations give important information on the different contribution of the various rock-forming minerals to bulk elastic anisotropy and on the relations of seismic anisotropy, shear wave splitting, and shear wave polarization to the structural reference frame (foliation and lineation). Comparison with measured velocities obtained for the three propagation directions that were not in accordance with the structural frame of the rocks (foliation and lineation) demonstrate that for shear waves propagating through anisotropic rocks the vibration directions are as important as the propagation directions. The study demonstrates that proper measurement of shear wave splitting by means of two orthogonal polarized sending and receiving shear wave transducers is only possible when their propagation and polarization directions are parallel and normal to foliation and lineation, respectively.     

Investigation of NaCl deliquescence in porous substrates using RH-XRD

We report on the use of X-ray diffractometry under controlled conditions of temperature and relative humidity (RH-XRD) for the investigation of NaCl deliquescence in the pore space of glass filter frits, which were used as model substrates. The study confirms that RH-XRD is an appropriate experimental technique for the in situ observation of phase transformation in porous materials. It is used for an investigation of both the deliquescence kinetics and the deliquescence humidity within pores of different median pore diameter. Several major influences affecting deliquescence rates in the pore space close to the surface of a porous material are discussed. It appears that quite short-term variation of ambient relative humidity, e.g., typical daily fluctuations, might induce damaging deliquescence–crystallization cycles within the pore space of building materials. In agreement with theoretical considerations it was found that confinement of NaCl crystals in pores with median diameters in the range 1.4–70 μm does not affect the deliquescence humidity of the salt.     

胶磷矿晶体结构研究

详细叙述了磷灰石的晶体结构,并采用多种方法对磷灰石结构中配位多面体各元素间的化学键力进行计算,分析了磷灰石的表面特性。针对贵州典型磷矿区具有代表性的胶磷矿试样,其主要由微晶磷灰石组成,采用x射线衍射分析了胶磷矿试样的物相组成、结晶度、晶胞参数以及磷灰石晶粒大小。在扫描电子显微镜下,2种胶磷矿多呈集合体形态,两种胶磷矿中磷酸盐矿物主要为氟磷灰石。     

Simulating coseismic deformation of quartz in the middle crust and fabric evolution during postseismic stress relaxation — An experimental study

Non-steady state deformation and annealing experiments on vein quartz are designed to simulate earthquake-driven episodic deformation in the middle crust. Three types of experiments were carried out using a modified Griggs-type solid medium deformation apparatus. All three start with high stress deformation at a temperature of 400 °C and a constant strain rate of 10^− 4 s^− 1 (type A), some are followed by annealing in the stability field of α-quartz for 14–15 h at zero nominal differential stress and temperatures of 800–1000 °C (type A + B), or by annealing for 15 h at 900 °C and at a residual stress (type A + C).The quartz samples reveal a very high strength > 2 GPa at a few percent of permanent strain. The microstructures after short-term high stress deformation (type A) record localized brittle and plastic deformation. Statisc annealing (type A + B) results in recrystallisation restricted to the highly damaged zones. The new grains aligned in strings and without crystallographic preferred orientation, indicate nucleation and growth. Annealing at non-hydrostatic conditions (type A + C) results in shear zones that also develop from deformation bands or cracks that formed during the preceding high stress deformation. In this case, however, the recrystallised zone is several grain diameters wide, the grains are elongate, and a marked crystallographic preferred orientation indicates flow by dislocation creep with dynamic recrystallisation. Quartz microstructures identical to those produced in type A + B experiments are observed in cores recovered from Long Valley Exploratory Well in the Quaternary Long Valley Caldera, California, with considerable seismic activity.The experiments demonstrate the behaviour of quartz at coseismic loading (type A) and subsequent static annealing (type A + B) or creep at decaying stress (type A + C) in the middle crust. The experimentally produced microfabrics allow to identify similar processes and conditions in exhumed rocks.